NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3430 8.3049 120.2775 54.7141 33.6737 174.9881 5 F 4.3309 7.9896 118.6786 57.2805 38.9411 172.9787 6 T 4.7766 9.4039 121.5806 59.3495 70.5733 171.6192 7 P 4.5784 0.0000 0.0000 62.3594 32.0034 176.5529 8 G 4.1794 9.1255 110.8663 44.6193 0.0000 173.2733 9 N 4.8050 8.5822 114.1839 52.4472 37.4077 175.3443 10 G 3.9695 8.0225 109.2141 44.7625 0.0000 172.7193 11 P 4.2911 0.0000 0.0000 64.4593 31.7459 176.4238 12 V 4.2425 7.7614 120.3770 61.3388 33.1457 174.9262 13 Q 4.5519 8.3644 126.1046 54.5294 32.6018 174.2829 14 I 4.3996 8.8799 125.2678 59.0455 40.7625 175.8233 15 S 4.4471 8.5406 121.4972 57.6297 63.9220 175.0501 16 A 4.0507 8.6435 123.1570 55.4041 18.0335 180.0485 17 E 3.9028 8.1287 116.4476 59.5385 29.6533 179.2217 18 A 4.0726 8.0493 120.8127 55.1606 18.3213 179.8192 19 I 3.8042 7.9534 118.5220 64.2843 37.1465 178.4241 20 K 3.9340 8.3439 120.8347 59.5981 32.0210 178.9058 21 K 4.1305 8.1007 118.5954 59.5036 31.8977 179.3755 22 R 3.9665 8.0590 118.9806 59.4301 29.9072 178.6968 23 V 3.7131 8.1618 118.3837 66.1458 31.5476 177.8660 24 E 3.9812 8.3292 118.3661 59.3038 29.2467 179.2332 25 E 3.9773 8.1070 118.7192 59.3849 29.4937 179.3477 26 L 4.1354 8.3258 119.5061 57.7610 41.6416 179.8044 27 G 3.6843 7.9177 107.5022 47.1163 0.0000 175.9757 28 G 3.5949 8.1632 108.0908 47.5389 0.0000 175.6690 29 E 4.0413 8.3063 121.0745 59.2229 29.4491 179.5132 30 I 3.5472 7.7490 119.6628 64.2691 36.8793 178.2694 31 A 3.9904 7.8482 120.4520 55.1220 18.3358 179.4750 32 R 3.9965 8.0698 117.0722 59.8478 30.0547 178.5568 33 D 4.4233 8.5445 117.6729 56.7125 40.9530 177.3552 34 Y 4.5060 8.3090 116.6261 56.4849 38.7889 175.3253 35 Q 4.1443 7.2386 118.9077 57.8266 28.8559 177.1878 36 G 3.9044 8.9842 108.7324 45.5523 0.0000 172.6709 37 K 4.6933 8.0122 118.3126 54.6742 34.9709 176.4194 38 T 5.1177 8.2190 109.8532 57.8242 68.7867 171.9209 39 P 4.6806 0.0000 0.0000 63.6738 33.5311 174.9982 40 H 4.9455 8.8945 120.4281 54.5452 32.3555 172.2074 41 L 4.7448 8.4960 127.0834 53.5976 43.4819 175.9144 42 I 4.3229 8.4420 125.5345 59.5603 39.3844 174.3674 43 C 4.6034 8.2805 129.3090 58.6643 32.7763 172.6955 44 V 4.5232 8.6708 127.3875 61.9759 31.5729 175.3373 45 L 4.3873 9.0313 128.8951 54.8851 41.9911 177.2442 46 N 4.6858 8.8845 117.7860 54.8893 39.5562 177.8346 47 G 4.0503 8.6558 105.6189 46.8865 0.0000 173.7356 48 A 4.6301 8.0147 121.0668 52.1217 19.3806 178.8624 49 F 4.5096 8.3266 114.2440 60.0735 37.6984 177.7664 50 I 3.1743 6.6813 119.7959 63.6023 36.9412 177.6817 51 F 4.5955 7.8039 122.3485 60.9473 39.1994 176.5745 52 M 3.6393 8.4586 117.8447 58.5749 31.8447 177.8755 53 A 3.9851 7.7111 119.3084 55.4764 18.6665 179.0791 54 D 4.4410 8.2399 117.2862 57.1136 40.8979 178.7395 55 L 3.7858 8.1429 121.2657 58.3447 42.0824 179.5322 56 V 3.5087 7.7439 112.2677 64.2787 31.2399 178.1512 57 R 4.2108 7.4460 114.7114 57.1837 29.6119 176.8471 58 A 4.6183 7.9193 121.7637 51.6315 19.3579 176.0005 59 I 4.3886 7.3107 120.0464 59.6745 37.7124 174.0242 60 P 4.6240 0.0000 0.0000 61.1692 29.6840 175.9000 61 L 4.7311 7.1720 122.3231 52.9655 46.4252 174.0499 62 P 4.6592 0.0000 0.0000 62.7384 32.4488 175.1280 63 L 4.9739 8.3108 122.6579 54.9430 43.5361 174.0145 64 T 4.7904 8.5503 109.7075 60.3767 72.2566 172.4360 65 M 5.1797 8.2986 119.7871 54.2733 36.5224 173.6434 66 D 4.7931 8.2046 118.6048 53.4665 45.5899 173.7077 67 F 5.3628 8.7547 119.5731 55.6259 42.6484 174.5531 68 I 4.9904 8.9314 114.7944 59.2064 41.6273 173.6101 69 A 5.1165 8.4985 125.3767 50.3084 21.3809 175.2635 70 I 5.0052 8.2961 121.3628 60.1091 41.2830 173.9692 71 S 4.6176 8.5144 119.1073 59.7780 70.0800 175.0203 *84 E 3.9732 7.8810 118.2253 55.7567 30.3928 174.3422 85 L 4.6901 8.1748 120.5641 54.9328 41.7217 176.7408 86 L 4.3916 8.8245 121.6973 54.9682 42.5084 176.7456 87 K 4.4499 7.5434 120.3275 54.9377 34.7701 175.2004 88 D 4.8139 8.5307 126.0452 53.0907 42.1770 176.0395 89 L 4.3836 8.3211 120.3797 55.0075 42.3396 177.3610 90 R 4.4866 9.6485 120.3558 56.6047 32.0251 176.7800 91 L 4.6906 7.8872 115.9473 52.0908 43.5590 174.5339 92 P 4.4258 0.0000 0.0000 62.7322 32.0082 176.4954 93 I 4.3266 8.0319 112.9233 60.5419 39.1438 174.9426 94 H 4.4876 8.1328 121.9870 57.5974 29.9309 175.2051 95 G 3.8337 8.3323 114.4518 45.7439 0.0000 173.2563 96 R 4.5137 7.7366 118.8199 54.8517 33.0173 175.7961 97 D 5.0874 8.5467 121.6874 53.4096 41.5120 175.4994 98 V 4.6200 8.8189 124.8375 62.0005 33.5890 174.8501 99 I 4.9560 8.5024 127.2210 59.4903 40.5294 174.7329 100 V 4.2093 8.8026 128.4408 62.3449 33.1438 174.9343 101 V 4.8862 8.9966 128.2034 61.5767 33.4880 174.1385 102 E 5.1342 9.5077 128.2762 54.8897 32.5260 177.0329 103 D 4.4633 8.7091 121.3524 55.7896 40.4461 175.9512 104 I 4.7700 7.4575 118.3975 58.7215 41.5052 173.3033 105 V 3.8838 8.6551 129.5134 63.3257 32.5308 174.0648 106 D 4.5786 9.1147 128.9516 55.3075 40.8683 176.8595 107 T 4.5301 8.2249 112.5167 62.3547 70.3183 177.3102 108 G 4.0433 8.3460 110.1590 45.2969 0.0000 175.0064 109 L 4.0009 7.9082 119.8998 58.2206 41.5362 179.4110 110 T 3.9368 7.9023 114.9020 66.7262 68.4869 176.2607 111 L 3.9965 7.9827 121.6652 58.1007 42.2345 178.6737 112 S 4.1133 8.3590 113.2535 61.5680 62.3763 175.5638 113 Y 4.1117 8.2076 122.1065 60.6188 38.5036 177.6323 114 L 3.9225 8.3324 121.4889 58.2733 42.1197 178.9378 115 L 4.0026 8.3897 119.2421 57.9656 41.6644 179.3113 116 D 4.3056 8.0282 118.5543 57.2851 40.4947 178.1334 117 Y 3.9594 7.6096 119.0643 60.7149 39.0972 177.9264 118 L 3.9484 8.1359 119.9740 57.8731 41.6661 179.4242 119 E 3.9653 8.4741 118.4292 59.1838 29.1016 179.1932 120 A 3.9434 7.5937 119.5711 54.4597 18.4240 178.7796 121 R 4.1424 7.4634 114.3561 54.8843 31.9722 176.2820 122 K 3.7384 8.0682 118.9503 56.7859 29.4931 173.0047 123 P 4.8618 0.0000 0.0000 62.0136 32.8290 177.0796 124 A 4.2391 8.4803 121.7710 55.1708 18.7937 177.7792 125 S 4.5917 7.6086 106.9412 58.0584 66.0232 175.5070 126 V 4.9817 8.3361 119.9368 61.6669 34.1697 174.2240 127 R 4.6904 9.2605 125.8498 54.3026 34.8296 174.2594 128 V 4.9518 8.6340 119.4897 61.1488 34.8723 173.8345 129 A 5.6089 9.5477 129.0612 50.2399 21.7450 174.9129 130 A 5.5361 9.2643 123.7882 49.2335 22.5065 176.7487 131 L 3.2654 8.2355 124.0998 57.3485 43.3607 176.4735 132 L 5.7687 7.9017 116.5822 52.2051 46.6713 175.6252 133 S 4.9487 8.3455 113.3504 57.2809 65.9916 173.4124 134 K 4.8971 9.0222 126.9762 52.5922 31.1121 174.8133 135 P 4.2261 0.0000 0.0000 65.5027 31.5632 179.4691 136 S 4.2954 8.0696 111.7557 60.0381 63.3810 174.6688 137 R 4.3677 8.0694 119.7303 55.8386 30.7524 175.9857 138 R 4.3486 7.6687 119.5320 57.0068 30.1900 175.8233 139 Q 4.5572 8.9740 124.5457 55.9556 30.5929 176.4074 140 V 4.3879 7.4179 116.0633 59.3100 34.1099 174.5353 141 E 4.1167 8.8710 124.9930 56.0168 29.7542 176.0703 142 V 4.5626 8.0647 119.1712 58.6947 35.2577 173.7040 143 P 4.4328 0.0000 0.0000 62.4945 32.1751 176.4471 144 I 4.4400 7.6679 120.2689 60.2713 39.1077 174.5821 145 H 4.1175 8.7477 123.5594 57.7295 29.6524 175.1725 146 Y 4.6605 8.3818 115.5030 55.9299 40.1469 173.5747 147 L 4.8667 8.3497 125.6309 53.2897 43.5918 175.9729 148 G 3.4513 8.9879 115.3362 48.3884 0.0000 173.4079 149 F 5.0109 8.7973 119.5683 54.9858 43.8830 172.6516 150 E 5.0135 8.9503 124.2332 55.0167 30.2625 174.8928 151 I 4.8673 8.7426 119.9498 58.5929 41.6868 174.7322 152 E 4.0385 8.6007 120.8714 55.3734 30.3513 175.9316 153 D 4.3564 8.4849 118.5632 54.7361 40.9692 174.9254 154 A 4.4607 7.9758 127.1425 51.3094 21.8383 174.5818 155 Y 4.3353 8.5098 122.1383 57.1442 39.7050 175.0483 156 V 4.6236 7.7007 120.0256 60.3924 34.0234 174.2702 157 Y 4.6532 8.5209 119.3381 56.6561 41.9120 174.2204 158 G 4.0215 9.3826 105.9161 46.0922 0.0000 172.3822 159 Y 3.5857 9.9446 117.1496 58.4559 37.7094 171.1209 160 G 4.0320 8.4714 108.1460 45.4818 0.0000 174.0482 161 L 4.4133 7.9681 119.9753 54.0861 42.3825 176.1291 162 D 5.3364 8.5177 122.0834 51.9665 41.8059 176.3809 163 R 4.4280 8.4831 119.2310 55.0029 30.7143 174.6863 164 A 3.7918 9.2899 131.0489 53.2029 15.9519 178.5705 165 Q 3.8514 8.9492 119.2910 56.9324 28.5603 174.4995 166 F 4.5218 7.8490 116.4636 56.7707 40.9129 175.8475 167 D 4.8583 9.0182 117.5002 55.3888 38.2675 176.4854 168 R 4.2913 7.8987 120.2744 58.7666 30.2463 177.7325 169 N 4.5749 8.1096 113.0956 53.2172 38.2064 175.3023 170 L 3.1510 7.5370 121.1657 54.0099 41.9785 175.8814 171 P 4.3228 0.0000 0.0000 63.7414 31.4339 175.1811 172 F 4.9904 6.3872 113.6871 55.1601 42.1963 173.3514 173 I 4.6148 8.5746 119.9456 60.3789 38.9860 175.4638 174 T 4.8336 8.5416 120.6028 60.3263 71.5245 171.6685 175 S 5.2172 8.1451 114.7195 57.8617 66.3833 172.9408 176 I 5.0152 8.2109 113.9294 59.0366 40.5575 175.3740 177 R 4.4217 8.3877 120.9604 54.5333 30.8925 176.3382 178 P 4.4326 0.0000 0.0000 65.3316 31.5065 176.1924 179 E 4.1286 7.5963 121.7902 56.7760 29.2874 176.5482 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 4 M 8.30 4.34 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 5 F 7.99 4.33 0.00 3.39 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 6 T 9.40 4.78 4.35 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 1.34 0.00 0.00 7 P 0.00 4.58 0.00 1.98 1.89 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.35 0.00 8 G 9.13 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 0.00 0.00 0.00 9 N 8.58 4.81 0.00 2.85 2.93 0.00 0.00 5.93 7.00 0.00 0.00 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 G 8.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.29 0.00 2.44 2.19 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 12 V 7.76 4.24 2.01 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 0.83 0.00 0.00 0.89 0.00 0.00 13 Q 8.36 4.55 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 14 I 8.88 4.40 1.49 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.54 0.10 0.00 0.00 15 S 8.54 4.45 0.00 3.95 3.89 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 0.00 0.00 0.00 16 A 8.64 4.05 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 17 E 8.13 3.90 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 2.42 2.39 0.00 18 A 8.05 4.07 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.95 3.80 1.78 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 1.14 0.66 0.24 0.00 0.00 20 K 8.34 3.93 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 21 K 8.10 4.13 0.00 2.01 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.61 7.81 22 R 8.06 3.97 0.00 1.91 1.97 0.00 3.08 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 23 V 8.16 3.71 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 1.17 0.00 0.00 1.22 0.00 0.00 24 E 8.33 3.98 0.00 2.23 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 2.68 0.00 25 E 8.11 3.98 0.00 2.18 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 2.33 2.64 0.00 26 L 8.33 4.14 0.00 1.88 1.74 1.13 1.18 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 27 G 7.92 3.68 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 0.00 0.00 0.00 28 G 8.16 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 29 E 8.31 4.04 0.00 2.25 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 0.00 2.39 2.71 0.00 30 I 7.75 3.55 1.71 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 -0.12 0.48 0.00 0.00 31 A 7.85 3.99 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 32 R 8.07 4.00 0.00 1.93 2.14 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 33 D 8.54 4.42 0.00 2.90 2.71 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 34 Y 8.31 4.51 0.00 3.03 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 35 Q 7.24 4.14 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 36 G 8.98 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 37 K 8.01 4.69 0.00 2.01 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.45 7.81 38 T 8.22 5.12 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 1.22 0.00 0.00 39 P 0.00 4.68 0.00 1.80 1.79 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 40 H 8.89 4.95 0.00 3.21 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.50 4.74 0.00 1.46 1.34 0.70 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.44 4.32 1.81 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 0.97 0.53 0.88 0.00 0.00 43 C 8.28 4.60 0.00 2.68 2.17 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 44 V 8.67 4.52 2.27 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 1.04 0.00 0.00 1.03 0.00 0.00 45 L 9.03 4.39 0.00 1.70 1.63 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.88 4.69 0.00 2.82 2.87 0.00 0.00 6.74 7.75 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 47 G 8.66 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 0.00 0.00 0.00 48 A 8.01 4.63 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.33 4.51 0.00 3.36 3.35 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 50 I 6.68 3.17 0.88 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 -0.12 0.00 0.00 51 F 7.80 4.60 0.00 3.18 3.29 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 0.00 0.00 0.00 52 M 8.46 3.64 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 53 A 7.71 3.99 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 54 D 8.24 4.44 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.14 3.79 0.00 1.22 1.39 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.74 3.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.99 0.00 0.00 57 R 7.45 4.21 0.00 2.02 1.97 0.00 3.11 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 58 A 7.92 4.62 1.25 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 0.00 0.00 0.00 59 I 7.31 4.39 1.86 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.78 0.00 0.00 60 P 0.00 4.62 0.00 2.16 2.07 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 61 L 7.17 4.73 0.00 1.55 1.53 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.66 0.00 2.11 2.17 0.00 3.71 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 2.07 1.96 0.00 63 L 8.31 4.97 0.00 1.68 1.55 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.55 4.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 65 M 8.30 5.18 0.00 1.56 1.89 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 2.43 2.38 0.00 66 D 8.20 4.79 0.00 2.73 2.41 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 67 F 8.75 5.36 0.00 2.92 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 68 I 8.93 4.99 2.01 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 1.33 1.26 0.99 0.00 0.00 69 A 8.50 5.12 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.30 5.01 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.97 0.00 0.00 71 S 8.51 4.62 0.00 3.78 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 *84 E 7.88 3.97 0.00 1.95 1.86 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 2.18 2.20 0.00 85 L 8.17 4.69 0.00 1.83 1.59 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.82 4.39 0.00 1.61 1.74 0.92 0.93 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 87 K 7.54 4.45 0.00 1.78 1.78 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 88 D 8.53 4.81 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.32 4.38 0.00 1.72 1.67 1.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.65 4.49 0.00 1.78 1.99 0.00 3.18 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 91 L 7.89 4.69 0.00 1.63 1.51 1.02 1.11 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 92 P 0.00 4.43 0.00 2.01 1.97 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 93 I 8.03 4.33 1.87 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 1.25 0.91 0.98 0.00 0.00 94 H 8.13 4.49 0.00 3.18 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.33 3.83 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 0.00 0.00 0.00 96 R 7.74 4.51 0.00 1.86 1.84 0.00 3.26 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 97 D 8.55 5.09 0.00 2.74 2.90 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 98 V 8.82 4.62 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 1.07 0.00 0.00 1.01 0.00 0.00 99 I 8.50 4.96 1.69 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.45 0.85 0.00 0.00 100 V 8.80 4.21 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 0.95 0.00 0.00 0.97 0.00 0.00 101 V 9.00 4.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.76 0.00 0.00 102 E 9.51 5.13 0.00 1.97 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 2.31 2.44 0.00 103 D 8.71 4.46 0.00 2.74 3.12 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 0.00 104 I 7.46 4.77 1.83 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 1.22 0.76 0.89 0.00 0.00 105 V 8.66 3.88 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 0.89 0.00 0.00 0.96 0.00 0.00 106 D 9.11 4.58 0.00 2.67 2.42 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 0.00 107 T 8.22 4.53 4.40 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 1.24 0.00 0.00 108 G 8.35 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 0.00 109 L 7.91 4.00 0.00 1.75 1.76 0.99 0.65 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 0.00 110 T 7.90 3.94 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 111 L 7.98 4.00 0.00 1.81 1.72 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.36 4.11 0.00 4.07 4.10 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 0.00 113 Y 8.21 4.11 0.00 3.14 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 0.00 114 L 8.33 3.92 0.00 1.95 1.89 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.39 4.00 0.00 1.86 1.72 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.03 4.31 0.00 2.80 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 0.00 117 Y 7.61 3.96 0.00 2.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.14 3.95 0.00 1.71 1.67 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.47 3.97 0.00 1.96 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 2.54 2.47 0.00 120 A 7.59 3.94 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.46 4.14 0.00 1.81 1.90 0.00 3.15 0.00 0.00 3.12 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.31 0.00 122 K 8.07 3.74 0.00 2.02 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.35 7.81 123 P 0.00 4.86 0.00 2.41 2.08 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 124 A 8.48 4.24 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 133 S 8.35 4.95 0.00 3.86 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 0.00 134 K 9.02 4.90 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.17 7.81 135 P 0.00 4.23 0.00 2.21 2.33 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 136 S 8.07 4.30 0.00 4.01 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 0.00 137 R 8.07 4.37 0.00 2.06 2.04 0.00 3.32 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 138 R 7.67 4.35 0.00 1.89 1.89 0.00 3.33 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 139 Q 8.97 4.56 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.36 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 140 V 7.42 4.39 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 0.83 0.00 0.00 0.96 0.00 0.00 141 E 8.87 4.12 0.00 1.94 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 2.29 2.39 0.00 142 V 8.06 4.56 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 0.98 0.00 0.00 0.95 0.00 0.00 143 P 0.00 4.43 0.00 2.04 2.00 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 144 I 7.67 4.44 1.84 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 1.44 0.64 0.94 0.00 0.00 145 H 8.75 4.12 0.00 2.48 2.72 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.38 4.66 0.00 2.99 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 0.00 147 L 8.35 4.87 0.00 1.60 1.51 0.93 1.08 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 0.00 148 G 8.99 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.80 5.01 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.95 5.01 0.00 1.98 1.86 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 2.24 2.30 0.00 151 I 8.74 4.87 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.89 0.00 0.00 152 E 8.60 4.04 0.00 2.10 2.01 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 2.26 2.29 0.00 153 D 8.48 4.36 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.98 4.46 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 0.00 155 Y 8.51 4.34 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.70 4.62 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.77 0.00 0.00 157 Y 8.52 4.65 0.00 3.27 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 0.00 158 G 9.38 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 0.00 0.00 0.00 159 Y 9.94 3.59 0.00 2.97 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 0.00 160 G 8.47 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.97 4.41 0.00 1.97 1.62 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.52 5.34 0.00 2.90 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 0.00 163 R 8.48 4.43 0.00 1.48 1.76 0.00 2.96 0.00 0.00 2.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 164 A 9.29 3.79 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 0.00 165 Q 8.95 3.85 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 166 F 7.85 4.52 0.00 3.24 2.98 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 0.00 167 D 9.02 4.86 0.00 3.05 3.14 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 0.00 0.00 0.00 168 R 7.90 4.29 0.00 1.98 2.13 0.00 3.21 0.00 0.00 3.67 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.70 0.00 169 N 8.11 4.57 0.00 2.94 3.02 0.00 0.00 6.07 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 0.00 170 L 7.54 3.15 0.00 1.46 0.77 1.15 1.12 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 0.00 171 P 0.00 4.32 0.00 2.09 1.89 0.00 2.20 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 172 F 6.39 4.99 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.57 4.61 1.66 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.63 0.75 0.00 0.00 174 T 8.54 4.83 4.33 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 0.59 0.00 0.00 175 S 8.15 5.22 0.00 4.06 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 0.00 176 I 8.21 5.02 1.98 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 1.68 0.88 1.15 0.00 0.00 177 R 8.39 4.42 0.00 1.93 1.90 0.00 3.21 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 178 P 0.00 4.43 0.00 2.19 2.23 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 179 E 7.60 4.13 0.00 2.05 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 0.00 2.36 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.