NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1410 8.1627 120.2804 54.8177 33.2567 173.9021 2 K 3.9795 8.4403 128.0181 55.7958 32.5041 175.1107 3 G 3.9531 8.7431 115.9936 45.2324 0.0000 171.5022 4 D 4.5829 8.4954 119.6859 54.3871 42.0653 177.2413 5 T 3.8871 8.7816 122.5927 66.7628 68.6262 176.8916 6 K 3.8632 8.1728 121.0326 59.0347 32.2355 178.8836 7 V 3.8981 8.6609 119.1202 66.1829 31.4553 177.8338 8 I 3.7433 7.6729 119.1312 64.7416 36.9139 178.0919 9 N 4.2700 8.2106 116.9805 56.4266 38.3158 177.0742 10 Y 4.0922 7.9680 118.0265 61.1388 37.9825 178.6013 11 L 3.9215 8.5305 120.2089 57.9870 41.6457 179.4561 12 N 4.3462 8.5543 116.7908 56.0069 38.4287 177.4839 13 K 3.8835 8.1535 121.3366 59.2875 32.3118 178.9297 14 L 3.7981 8.2030 119.6802 57.5803 41.3840 178.9638 15 L 4.0126 7.7409 120.7698 58.3242 42.0346 179.2341 16 G 3.6376 8.1658 105.5664 47.9791 0.0000 175.3615 17 N 4.3874 8.0244 118.7301 56.1504 38.5877 177.4340 18 E 4.1102 8.2547 119.9996 59.3746 29.4456 179.3139 19 L 4.0471 8.2811 119.3939 57.6914 41.5922 179.7416 20 V 3.5573 7.7480 117.5412 66.0573 31.5010 177.9347 21 A 3.8326 8.1020 120.4209 55.0321 18.2002 179.3606 22 I 3.7594 8.3528 118.7090 64.9645 37.2756 178.4007 23 N 4.3954 7.9231 117.0327 56.3885 38.4048 177.4354 24 Q 3.8486 8.2736 121.1584 59.3150 29.1009 177.8439 25 Y 4.3442 8.4027 118.3342 60.9040 37.8856 178.1348 26 F 3.8267 8.5241 121.6726 61.0591 39.5186 176.8069 27 L 3.9386 8.1549 119.9546 58.5647 41.8289 178.4400 28 H 3.7837 8.1648 115.7249 58.8251 28.6130 177.2303 29 A 4.1460 8.3221 122.6991 55.7024 18.1329 179.8821 30 R 3.8436 7.7834 115.4949 58.6166 30.0717 179.2506 31 M 3.4277 7.8899 119.4502 58.1217 31.8332 178.4474 32 F 4.5706 7.4552 117.9269 60.5833 39.1314 177.5299 33 K 3.8900 8.2552 119.2444 59.6105 31.7510 178.1662 34 N 4.2842 7.9043 115.8274 56.5682 39.0197 176.4491 35 W 4.7464 7.9779 117.7697 57.5865 29.4003 177.2055 36 G 3.9751 8.3279 108.0159 46.2737 0.0000 174.3231 37 L 4.6608 8.0632 121.8751 52.7210 38.2012 177.0488 38 K 3.8208 7.9468 122.9598 59.9199 32.6246 177.5307 39 R 3.9398 8.2996 118.9232 59.1262 29.9090 178.3358 40 L 4.1024 7.8849 118.8223 57.0368 41.5261 178.8178 41 N 4.5293 8.1420 116.8285 56.8215 39.0576 176.3626 42 D 4.3331 7.9821 120.2136 57.4374 40.9454 179.1421 43 V 3.4464 7.6772 118.3189 66.1222 31.4933 177.9862 44 E 3.9020 8.4930 118.5524 59.2544 29.2804 178.6509 45 Y 3.8588 8.1922 119.7840 61.1708 38.7948 178.1257 46 H 4.1968 8.3192 116.4266 58.3093 28.6857 177.4976 47 E 3.6991 7.7615 120.8159 58.5027 29.2269 178.7649 48 S 4.1028 7.8509 113.5096 61.5864 62.4276 176.2567 49 I 3.5748 7.3509 122.2543 64.3631 36.7796 177.9341 50 D 4.2635 7.6625 119.5675 57.7167 40.6743 179.0455 51 E 4.1952 8.1623 118.6844 59.4285 29.3222 179.3552 52 M 4.0693 8.0478 118.9697 58.3957 32.0313 178.8349 53 K 3.9232 8.1616 118.6372 59.7164 32.1735 179.1422 54 H 4.1018 8.1362 116.2117 58.7688 28.5790 177.5395 55 A 4.2279 8.4540 122.9862 55.3555 18.1545 179.0280 56 D 4.2967 8.3304 116.5304 57.7381 41.2714 178.7844 57 R 3.8706 7.9113 118.3965 59.4431 30.0275 178.7293 58 Y 4.2865 7.8613 116.4846 61.1595 37.9002 178.5558 59 I 3.8032 8.2248 121.0533 64.6188 37.2254 178.4435 60 E 4.0844 8.5049 119.5140 59.1024 29.1747 179.5031 61 R 4.0221 8.0413 118.9427 59.5387 30.1900 178.3750 62 I 3.7685 8.3920 119.9773 64.6608 37.1691 178.4045 63 L 4.0271 8.0726 119.5786 57.7262 41.2144 179.3766 64 F 4.3714 8.1762 119.7191 61.2300 39.6897 176.5171 65 L 4.3581 8.2148 117.8063 54.0569 41.1412 177.1983 66 E 3.9184 7.9807 117.6385 57.4258 27.0190 174.4060 67 G 3.9853 8.1426 108.7215 43.9700 0.0000 173.5401 68 L 4.5375 8.0283 119.1659 52.0203 42.0989 175.0979 69 P 4.4010 0.0000 0.0000 62.4854 31.7924 175.9627 70 N 4.7332 9.4732 122.1103 52.3938 38.8980 173.9191 71 L 4.6381 8.3522 124.2093 54.5613 42.5181 177.4063 72 Q 4.1297 8.5267 121.9536 58.0237 29.3892 175.8670 73 D 4.6434 8.0652 117.3956 52.8921 41.7755 175.2187 74 L 4.5701 8.3116 125.8560 52.7526 43.9694 176.4470 75 G 3.8070 8.4300 115.4346 44.6307 0.0000 171.8703 76 K 4.0843 8.3118 120.7530 55.8139 32.3725 176.6800 77 L 4.1101 8.3295 126.7264 54.4911 42.2802 176.3244 78 N 4.8050 8.8545 120.5206 52.0127 40.1782 174.3622 79 I 3.8478 8.4908 126.4815 64.0896 37.7259 178.2389 80 G 4.1627 8.2730 102.2123 45.8525 0.0000 172.5646 81 E 4.7865 8.5693 115.9552 55.4760 31.9086 176.2959 82 D 5.0293 7.7264 117.7159 50.3583 43.9900 176.0097 83 V 3.9997 8.5219 118.9629 66.6796 31.3162 177.4184 84 E 3.8634 8.2532 117.9214 59.5553 29.4911 178.3080 85 E 3.9980 8.5557 119.2698 59.5289 29.6512 178.7008 86 M 4.1206 8.3338 117.1796 58.2467 31.3465 178.5961 87 L 4.1294 8.5203 120.5659 57.6220 41.7348 179.4105 88 R 3.8847 8.4972 119.1316 59.4463 30.0895 178.5719 89 S 4.1007 8.2040 113.0591 61.3225 62.4145 175.7919 90 D 4.2411 8.1775 121.7238 57.1546 40.5676 178.4849 91 L 3.9958 8.2564 120.6882 58.2761 42.1577 178.8259 92 A 4.0156 8.2678 120.8896 55.1801 18.2312 179.4100 93 L 3.9437 7.8939 118.5288 58.2262 42.1173 179.0629 94 E 4.0608 8.3760 118.6539 59.3389 29.5272 179.1935 95 L 4.0378 8.1113 119.0563 58.1137 41.8286 179.4459 96 D 4.5224 8.3184 118.8867 57.1919 40.7105 179.0905 97 G 3.6479 8.3060 106.2889 47.5394 0.0000 175.7602 98 A 4.0538 8.5372 123.6065 54.6410 18.4766 179.5208 99 K 3.8374 7.9867 117.9331 59.9590 32.2731 178.6906 100 N 4.3896 8.0647 116.2967 56.3723 38.4116 177.3965 101 L 3.9843 8.1257 120.3093 57.8458 41.6691 179.7679 102 R 3.9000 8.2165 118.1550 59.1301 30.0444 178.7687 103 E 3.8410 8.0743 118.5032 59.2948 29.6176 178.7664 104 A 2.8496 7.8635 120.8822 54.7128 18.3708 179.6342 105 I 3.7085 7.9060 118.6000 64.4695 36.9476 178.8730 106 G 3.5991 7.6104 105.1238 47.9150 0.0000 174.8681 107 Y 4.1813 7.9623 122.5733 59.7000 38.8727 177.3920 108 A 3.8298 8.2274 122.0596 55.2346 18.4752 179.0233 109 D 4.1106 7.9263 116.5015 57.4369 41.3391 178.5004 110 S 4.1634 7.7406 113.9690 60.0569 62.9964 175.6704 111 V 4.0699 6.8195 113.8656 60.7089 31.6261 175.5970 112 H 2.7735 7.0043 113.9286 56.6298 27.1282 176.4555 113 D 4.5470 7.3772 120.9403 53.5876 37.4462 176.3381 114 Y 4.3478 7.4037 121.2521 60.6794 38.4126 178.3789 115 V 3.7261 7.8570 119.9902 64.7306 31.8389 178.2926 116 S 4.1603 8.3313 115.8177 61.4826 62.6073 176.7306 117 R 3.9010 8.1376 121.1428 59.4592 29.9648 178.1118 118 D 4.2967 8.3145 117.9712 57.5332 41.3431 177.7028 119 M 3.9907 8.3030 118.9638 59.1269 32.1353 178.1741 120 M 4.1565 8.2166 118.7389 58.3666 32.0947 178.8466 121 I 3.7298 8.1455 120.4332 64.2503 37.3413 178.2108 122 E 3.9605 8.0862 119.1964 59.5700 29.2385 179.5679 123 I 3.5644 7.5531 119.5812 64.1156 37.1055 178.1495 124 L 3.9307 8.1213 121.4014 58.1585 41.9799 179.0187 125 R 3.9009 8.0216 118.5830 59.6268 30.0947 178.2519 126 D 4.3632 8.0254 118.3845 57.3550 40.7673 178.6949 127 E 3.9480 8.3213 119.3586 59.3472 29.4808 178.9228 128 E 4.2022 8.7889 119.9888 59.1343 29.6140 179.1599 129 G 3.6476 7.9760 105.6654 48.0941 0.0000 175.4655 130 H 4.5740 8.1079 118.6279 58.6407 28.6541 177.7908 131 I 3.8000 8.3736 122.0803 64.5797 36.9778 177.7479 132 D 4.3603 8.2955 118.6388 57.3636 41.0257 178.0314 133 F 4.1895 8.3415 120.9187 61.3882 39.3909 177.0074 134 L 3.7325 8.2059 118.3835 57.8387 41.4919 179.2825 135 E 3.9158 8.3944 118.6466 59.7512 29.3183 179.6411 136 T 3.8044 7.9446 115.5075 66.6461 68.5468 176.3420 137 E 3.8691 7.7762 120.2934 59.5608 29.1592 179.5067 138 L 3.7963 7.8476 118.7951 57.9442 41.5603 179.4543 139 D 4.3841 8.1680 118.7605 57.1971 40.6440 178.7387 140 L 3.9732 8.1258 119.8330 57.7891 41.6846 179.4133 141 I 3.3975 7.4777 119.7050 64.5891 36.7559 178.5089 142 Q 3.9791 7.3748 116.1751 58.7647 28.6471 178.4943 143 K 4.1473 8.2253 119.2301 58.8637 32.2657 178.4167 144 M 4.4040 8.3167 114.5926 53.9088 32.5278 177.0994 145 G 4.1210 7.5703 105.8420 46.0272 0.0000 174.4153 146 L 3.9622 8.4369 121.7789 58.0435 42.1661 179.3465 147 Q 3.9946 8.0843 117.4333 59.3289 28.8551 178.6975 148 N 4.3746 8.1443 116.7818 56.3217 38.3799 176.7128 149 Y 4.0015 8.0240 120.2233 60.6091 39.1316 177.8259 150 L 4.0576 8.4470 120.3099 57.9447 41.6580 179.2230 151 Q 3.8894 8.1118 119.1727 59.1008 28.7171 177.8099 152 A 4.1303 7.5001 119.0599 53.4814 18.7295 178.2739 153 Q 4.2195 7.8199 116.0658 55.8369 29.0822 177.7175 154 I 3.9164 7.2224 121.0543 63.0894 37.4072 176.5963 155 R 4.6359 7.5178 117.4714 53.8878 31.9904 175.9070 156 E 4.1117 8.4090 119.1012 56.0158 30.4686 175.8114 157 E 4.1030 8.4997 121.8518 55.2427 30.4840 176.5173 *158 G 3.7274 8.5990 114.1607 45.8872 0.0000 172.1658 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 4.14 0.00 1.48 1.79 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 2 K 8.44 3.98 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 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.74 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 2.61 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 5 T 8.78 3.89 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 3.86 0.00 1.71 1.94 0.00 1.45 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 0.99 7.81 7 V 8.66 3.90 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 1.04 0.00 0.00 1.21 0.00 0.00 8 I 7.67 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 8.21 4.27 0.00 2.59 2.67 0.00 0.00 7.08 6.83 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 10 Y 7.97 4.09 0.00 3.23 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 8.53 3.92 0.00 2.00 1.77 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.55 4.35 0.00 2.76 2.82 0.00 0.00 6.67 7.74 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 13 K 8.15 3.88 0.00 1.75 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 8.20 3.80 0.00 0.92 1.15 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.74 4.01 0.00 1.70 1.85 1.02 1.00 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 8.17 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 8.02 4.39 0.00 2.97 2.91 0.00 0.00 7.04 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 8.25 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 2.77 2.89 0.00 19 L 8.28 4.05 0.00 1.83 1.72 0.95 1.08 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 20 V 7.75 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 1.09 0.00 0.00 0.98 0.00 0.00 21 A 8.10 3.83 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 22 I 8.35 3.76 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 1.61 1.08 0.90 0.00 0.00 23 N 7.92 4.40 0.00 2.83 2.86 0.00 0.00 6.75 7.68 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 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 8.40 4.34 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 8.52 3.83 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 8.15 3.94 0.00 1.96 1.59 0.88 0.89 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 8.16 3.78 0.00 3.50 3.27 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 8.32 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.84 0.00 1.75 1.89 0.00 3.30 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 1.40 1.76 0.00 31 M 7.89 3.43 0.00 0.84 1.51 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 2.42 2.15 0.00 32 F 7.46 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 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.90 4.28 0.00 2.68 2.68 0.00 0.00 7.34 8.02 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 35 W 7.98 4.75 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 8.06 4.66 0.00 2.17 1.65 1.07 0.77 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 7.95 3.82 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 8.30 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 7.88 4.10 0.00 1.65 1.03 0.98 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.14 4.53 0.00 3.09 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 7.98 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 7.68 3.45 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 -0.12 0.00 0.00 0.86 0.00 0.00 44 E 8.49 3.90 0.00 2.27 2.35 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 2.65 3.08 0.00 45 Y 8.19 3.86 0.00 2.94 3.03 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 46 H 8.32 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 7.76 3.70 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 1.76 1.91 0.00 48 S 7.85 4.10 0.00 4.02 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 3.57 1.71 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 1.01 0.45 0.85 0.00 0.00 50 D 7.66 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 8.16 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 2.73 2.82 0.00 52 M 8.05 4.07 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 53 K 8.16 3.92 0.00 1.87 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 54 H 8.14 4.10 0.00 3.53 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 8.45 4.23 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 56 D 8.33 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 7.91 3.87 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 7.86 4.29 0.00 3.23 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 59 I 8.22 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 1.58 0.85 0.95 0.00 0.00 60 E 8.50 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 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.39 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 0.78 0.96 0.00 0.00 63 L 8.07 4.03 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 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.18 4.37 0.00 2.98 3.37 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 65 L 8.21 4.36 0.00 1.70 1.62 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.92 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 8.14 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 0.00 0.00 0.00 68 L 8.03 4.54 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 1.72 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 9.47 4.73 0.00 2.58 2.79 0.00 0.00 7.07 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 8.35 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 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.07 4.64 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 1.12 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 7.20 7.50 0.00 0.00 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 8.49 3.85 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 0.92 0.93 0.00 0.00 80 G 8.27 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 8.57 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 8.52 4.00 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 1.23 0.00 0.00 1.26 0.00 0.00 84 E 8.25 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 8.56 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 8.33 4.12 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.03 0.00 87 L 8.52 4.13 0.00 2.05 1.79 1.23 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.50 3.88 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 8.20 4.10 0.00 4.03 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 8.18 4.24 0.00 3.11 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.00 0.00 1.80 1.88 0.97 1.05 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 8.27 4.02 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 7.89 3.94 0.00 1.89 1.79 0.90 0.67 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 8.38 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 8.11 4.04 0.00 2.04 1.74 0.96 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 96 D 8.32 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 8.31 3.65 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 0.00 0.00 0.00 98 A 8.54 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.99 3.84 0.00 2.06 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 1.50 7.81 100 N 8.06 4.39 0.00 3.00 2.91 0.00 0.00 7.13 6.28 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 0.00 101 L 8.13 3.98 0.00 1.99 1.74 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.22 3.90 0.00 1.98 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 1.96 0.00 103 E 8.07 3.84 0.00 2.22 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 2.36 2.37 0.00 104 A 7.86 2.85 1.02 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 0.00 105 I 7.91 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 1.02 0.91 0.00 0.00 106 G 7.61 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 7.96 4.18 0.00 3.14 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 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.93 4.11 0.00 2.88 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 0.00 110 S 7.74 4.16 0.00 3.98 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 0.00 111 V 6.82 4.07 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 0.45 0.00 0.00 0.66 0.00 0.00 112 H 7.00 2.77 0.00 3.17 3.29 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 7.38 4.55 0.00 2.64 2.48 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 0.00 0.00 0.00 0.00 114 Y 7.40 4.35 0.00 3.11 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 7.86 3.73 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 0.96 0.00 0.00 0.98 0.00 0.00 116 S 8.33 4.16 0.00 4.21 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 8.14 3.90 0.00 1.91 2.21 0.00 3.34 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 8.31 4.30 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 8.30 3.99 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.12 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 8.22 4.16 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.82 0.00 121 I 8.15 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 1.53 0.75 0.91 0.00 0.00 122 E 8.09 3.96 0.00 2.28 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 7.55 3.56 1.92 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.74 0.00 0.00 124 L 8.12 3.93 0.00 1.86 1.87 0.94 0.85 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 8.02 3.90 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.56 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 8.03 4.36 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 8.32 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 2.60 2.51 0.00 128 E 8.79 4.20 0.00 2.24 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 7.98 3.65 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 0.00 0.00 0.00 130 H 8.11 4.57 0.00 3.53 3.59 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 8.37 3.80 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 0.91 0.96 0.00 0.00 132 D 8.30 4.36 0.00 2.96 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 8.34 4.19 0.00 3.26 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.21 3.73 0.00 1.94 1.72 1.29 1.15 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 0.00 135 E 8.39 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 2.49 0.00 136 T 7.94 3.80 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 7.78 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 1.77 0.00 138 L 7.85 3.80 0.00 1.73 1.63 0.90 0.95 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 0.00 139 D 8.17 4.38 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 8.13 3.97 0.00 1.89 1.86 1.00 1.11 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 7.48 3.40 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.06 0.73 0.00 0.00 142 Q 7.37 3.98 0.00 2.12 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 8.23 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 8.32 4.40 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.23 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 7.57 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 3.96 0.00 1.75 1.67 0.95 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 8.08 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 8.14 4.37 0.00 2.98 2.89 0.00 0.00 6.69 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 8.02 4.00 0.00 3.01 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 8.45 4.06 0.00 2.01 1.69 1.05 0.92 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 2.37 0.00 152 A 7.50 4.13 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 7.82 4.22 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.76 0.00 0.00 0.00 0.00 0.00 2.12 2.17 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 4.64 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 4.11 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.