NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1602 8.1627 120.2747 54.7022 33.1369 173.9877 2 K 4.0287 8.4789 128.4500 56.1063 32.6205 175.1917 3 G 3.9872 8.8416 116.0815 44.9791 0.0000 171.8724 4 D 4.5634 8.4831 119.7126 54.3820 41.9573 177.1226 5 T 3.8717 8.8508 122.7868 66.8205 68.5553 176.6818 6 K 3.8763 8.1701 120.9438 58.9855 32.2281 178.9157 7 V 3.8969 8.3434 118.8941 66.1722 31.4296 177.8498 8 I 3.7511 7.7851 119.4783 64.6469 36.9839 178.0685 9 N 4.2346 8.1475 116.9913 56.5056 38.2640 176.9439 10 Y 4.1539 7.9519 118.0016 61.2353 38.0049 178.8033 11 L 3.9257 8.5183 120.1331 57.9955 41.6497 179.4577 12 N 4.3785 8.4692 116.6583 55.9503 38.4213 177.4787 13 K 3.8651 8.0321 121.1466 59.4110 32.3455 178.9634 14 L 3.7991 7.9794 119.5682 57.4484 41.3744 178.9066 15 L 3.9428 7.6682 120.8502 58.3158 42.0251 179.2024 16 G 3.6619 8.1553 105.4465 47.9397 0.0000 175.1583 17 N 4.3296 8.0953 118.7719 56.2411 38.6100 177.2495 18 E 4.1019 8.2484 119.7456 59.5491 29.2472 179.4937 19 L 4.0484 8.2290 119.1409 57.6316 41.6252 179.7629 20 V 3.5702 7.7671 117.6849 66.0502 31.4612 177.9338 21 A 3.8707 8.0731 120.4443 55.0505 18.1725 179.3951 22 I 3.7648 8.2729 118.7521 64.9508 37.2709 178.4018 23 N 4.3938 7.8741 116.6220 56.2786 38.2964 177.4677 24 Q 3.8089 8.2133 120.9664 59.4314 29.1162 177.6682 25 Y 4.3405 8.1364 118.1025 61.0855 37.9605 178.6354 26 F 3.8958 8.4491 121.5738 61.0381 39.5095 176.8672 27 L 3.9494 8.1703 119.9978 58.6077 41.8465 178.4777 28 H 3.7590 8.3083 115.9390 58.7800 28.5738 177.2793 29 A 4.1727 8.1996 122.6024 55.6957 18.1580 179.9313 30 R 3.8048 7.7059 115.5279 58.7993 30.1236 179.2495 31 M 3.4014 7.8043 119.1391 58.0863 31.7605 178.4999 32 F 4.5691 7.4379 117.8908 60.5415 39.1145 177.5331 33 K 3.8803 8.2801 119.2912 59.6291 31.7771 177.9404 34 N 4.2274 8.0443 116.1146 56.7799 38.9090 176.2791 35 W 4.7710 7.9360 117.1718 57.6467 29.4106 177.2564 36 G 4.0002 8.3713 108.3287 45.8141 0.0000 174.1026 37 L 4.6745 8.1731 122.3914 52.5506 38.2268 176.8082 38 K 3.7952 7.9120 123.8717 59.9328 32.6126 177.5189 39 R 3.8996 8.2295 118.7738 59.3769 29.9643 178.4951 40 L 4.1014 7.7704 118.4400 57.3853 41.6169 178.5110 41 N 4.5343 8.2062 117.1293 56.9950 38.9079 176.6346 42 D 4.3058 8.0494 120.0861 57.3545 40.9188 179.0660 43 V 3.2627 7.5220 118.1841 65.9691 31.4553 178.0134 44 E 3.9022 8.2884 118.4135 59.2878 29.3143 178.6713 45 Y 3.8919 8.1949 119.7870 60.9222 38.8618 177.5640 46 H 3.9122 8.1499 119.0101 59.3189 29.8950 176.8613 47 E 3.4098 8.1376 120.6237 59.1780 29.0548 179.2238 48 S 4.1066 7.7567 112.9939 61.5870 62.4530 176.3597 49 I 3.5406 7.3690 122.2612 64.2830 36.7753 177.9791 50 D 4.1980 7.8564 119.7258 57.6171 40.6510 178.9699 51 E 4.1757 8.0904 118.7992 59.4926 29.3289 179.3094 52 M 4.0670 8.0259 118.9007 58.3520 32.0223 178.8375 53 K 3.9026 8.0720 118.5472 59.7614 32.1922 179.0915 54 H 4.1079 8.2478 116.1120 58.7933 28.5804 177.6087 55 A 4.2478 8.5215 122.9695 55.3268 18.1755 179.0228 56 D 4.2970 8.3640 116.6521 57.6852 41.2886 178.7356 57 R 3.8580 7.9138 118.3801 59.4114 30.0537 178.6150 58 Y 4.2823 7.7585 116.3609 61.2171 37.9382 178.6700 59 I 3.7587 8.1783 120.8976 64.7384 37.2814 178.4391 60 E 4.0630 8.4447 119.3355 59.1697 29.1744 179.5438 61 R 3.9984 8.1854 118.8306 59.5571 30.2675 178.3198 62 I 3.7612 8.3492 120.0070 64.6596 37.1769 178.3797 63 L 4.0146 8.0588 119.4346 57.7698 41.2603 179.2205 64 F 4.3449 8.1882 119.3726 61.3630 39.5698 176.4565 65 L 4.5968 8.0378 117.4252 54.0169 41.2450 177.1931 66 E 3.9309 7.9992 117.6672 57.3882 26.9884 174.6003 67 G 3.9320 8.2482 108.8223 44.1430 0.0000 173.6929 68 L 4.5494 8.0106 119.0542 51.9640 42.2231 175.1218 69 P 4.3772 0.0000 0.0000 62.6249 31.7625 175.9890 70 N 4.6954 9.5422 122.1708 52.4571 38.6221 174.1178 71 L 4.6220 8.2965 124.2446 54.5374 42.6140 177.5296 72 Q 4.0976 8.5342 121.7606 58.2378 29.3027 175.8877 73 D 4.6641 8.0849 117.1411 52.8388 41.8832 175.2731 74 L 4.5689 8.3028 125.5685 52.7788 44.0260 176.4782 75 G 3.8259 8.4335 115.5387 44.6692 0.0000 171.7465 76 K 4.1216 8.3020 120.6450 55.7904 32.5828 176.6312 77 L 4.2128 8.3071 126.4243 54.3538 42.3918 176.3954 78 N 4.8293 8.6568 120.6892 51.7172 39.5699 174.4395 79 I 3.7857 8.3508 125.3527 64.0531 37.6522 178.1235 80 G 4.4308 8.2144 102.7517 45.4041 0.0000 172.7347 81 E 4.7789 8.7693 116.9451 55.5811 31.9473 176.2062 82 D 4.9754 7.7134 117.7578 50.2721 44.0056 176.1059 83 V 4.0498 8.5102 119.2866 66.6241 31.3337 177.6974 84 E 3.8650 8.1892 118.0949 59.3336 29.4602 178.1619 85 E 3.9502 8.4318 119.4311 59.4753 29.6767 178.7012 86 M 4.2197 8.3579 117.1737 58.3204 31.3557 178.5967 87 L 4.1658 8.3262 120.2211 57.7243 41.7898 179.7066 88 R 3.9662 8.3317 118.2677 59.1746 29.9338 179.1040 89 S 4.1340 8.1402 113.0597 61.3811 62.3711 175.8947 90 D 4.2057 8.1777 121.6743 57.1467 40.5312 178.4487 91 L 3.9796 8.1456 120.4903 58.2545 42.1814 178.6366 92 A 3.9927 8.3806 121.0544 55.3218 18.2733 179.3808 93 L 3.9173 7.9362 118.5620 58.2881 42.0805 179.0071 94 E 4.0697 8.4120 118.6098 59.4473 29.4228 179.3569 95 L 4.0247 8.1697 119.0211 58.0024 41.7240 179.3460 96 D 4.4922 8.3018 118.9501 57.3597 40.7631 179.1618 97 G 3.6383 8.3234 106.0824 47.6275 0.0000 175.7103 98 A 4.0691 8.4490 123.5026 54.6384 18.5031 179.4910 99 K 3.8468 8.0615 118.2323 59.9510 32.2767 178.7288 100 N 4.4107 8.1383 116.5336 56.2536 38.3429 177.3457 101 L 4.0005 8.0467 120.3307 57.9556 41.8725 179.7989 102 R 3.8929 8.1154 117.9045 59.0882 29.9699 178.7292 103 E 3.8489 8.0647 118.3776 59.2948 29.6289 178.6981 104 A 2.8162 7.7396 120.6961 54.8684 18.2219 179.6753 105 I 3.7230 8.0302 118.7081 64.3852 36.9350 178.9059 106 G 3.5938 7.6889 105.2726 47.8925 0.0000 174.8967 107 Y 4.0948 7.9313 121.8220 60.3069 38.7975 177.4484 108 A 3.8190 8.2003 122.0808 55.2943 18.3860 179.0490 109 D 4.1177 7.7737 116.4229 57.5171 41.1144 178.7126 110 S 4.0890 7.4859 113.0057 60.3877 63.1002 175.7483 111 V 3.9474 6.8239 113.3046 60.5014 31.6489 175.4173 112 H 2.7660 7.0082 114.2327 56.7855 26.7417 176.3004 113 D 4.4996 7.4246 121.6033 53.6513 38.3997 175.8990 114 Y 4.3714 7.5996 121.8150 60.0444 38.4053 177.5171 115 V 3.7244 7.8559 120.1309 64.6657 31.7860 178.3712 116 S 4.1420 8.2153 115.3811 61.3239 62.6081 176.5397 117 R 3.8778 7.9705 121.2464 59.5497 29.9358 177.9374 118 D 4.3089 8.3565 117.8531 57.5554 41.2212 177.7372 119 M 3.9531 8.1982 118.6981 59.1847 32.1931 178.1963 120 M 4.1415 8.3047 118.7391 58.3377 32.0787 178.8917 121 I 3.7428 8.1412 120.5091 64.2191 37.3280 178.2389 122 E 3.9627 8.0893 119.2729 59.5131 29.2343 179.4996 123 I 3.5123 7.6665 119.7944 64.1942 37.0400 178.2653 124 L 3.9362 8.1128 121.3214 58.0115 41.9378 178.8743 125 R 3.8850 8.0819 118.6907 59.6358 30.0216 178.2222 126 D 4.3472 8.0034 118.3301 57.4478 40.8252 178.6678 127 E 4.0084 8.3418 119.2439 59.5205 29.4349 179.3236 128 E 4.3559 8.7436 119.1205 59.0858 29.4235 179.6839 129 G 3.6455 7.9360 105.6557 48.0355 0.0000 175.5231 130 H 4.5647 8.2850 118.7656 58.7539 28.6977 177.7680 131 I 3.8171 8.3933 121.9745 64.6117 37.0208 177.8052 132 D 4.3661 8.3772 118.6994 57.1340 41.0556 178.1231 133 W 4.1348 8.3549 128.6879 60.4586 30.7921 177.8014 134 L 3.7234 8.2313 118.8010 57.9193 41.1631 179.2674 135 E 3.9273 8.3845 118.5627 59.7979 29.3500 179.7217 136 T 3.7804 7.8603 115.4318 66.5991 68.5442 176.5247 137 E 3.7562 7.5816 120.3009 59.3644 29.1785 179.4137 138 L 3.7585 7.6439 118.7913 57.9316 41.6736 179.4326 139 D 4.3739 8.0276 118.7111 57.2428 40.6921 178.7731 140 L 4.0039 8.0144 119.6580 57.7270 41.6164 179.4856 141 I 3.3864 7.3267 119.7072 64.5493 36.7649 178.5348 142 Q 3.9749 7.3417 116.0969 58.6584 28.5901 178.5901 143 K 4.1326 7.9616 119.0664 59.0791 32.3419 178.5284 144 M 4.3728 8.1682 114.2220 54.0051 32.3683 177.2432 145 G 4.1199 7.5612 105.2527 45.9868 0.0000 174.4980 146 L 3.9799 8.3570 121.0169 57.9853 42.1849 179.1970 147 Q 3.9819 8.0820 117.5133 59.2588 28.8112 178.6348 148 N 4.3408 8.1327 116.7334 56.3950 38.4174 176.5618 149 Y 3.9832 7.9587 119.8164 60.7759 39.1843 177.9766 150 L 4.0556 8.5151 120.1546 57.8775 41.2133 179.2252 151 Q 3.9500 8.1788 119.2171 59.0840 28.7546 177.8074 152 A 4.1359 7.6731 119.3260 53.5377 18.6981 178.2692 153 Q 4.2576 7.7155 116.1305 55.8133 29.2490 177.3467 154 I 4.1832 7.2468 111.7769 61.6737 38.2296 176.2332 155 R 4.6576 7.5560 119.6695 53.6817 32.3355 175.5114 156 E 4.1054 8.4968 119.8653 56.0698 30.4261 175.9451 157 E 4.0994 8.4677 122.0759 55.4546 30.7245 176.5394 *158 G 3.7278 8.5427 113.3937 45.9052 0.0000 172.4024 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 4.16 0.00 1.37 1.79 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.48 4.03 0.00 1.83 1.68 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 1.46 7.81 3 G 8.84 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 4 D 8.48 4.56 0.00 2.77 2.64 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 5 T 8.85 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 8.17 3.88 0.00 1.69 1.84 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.01 7.81 7 V 8.34 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 1.15 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.75 2.03 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 0.65 0.92 0.00 0.00 9 N 8.15 4.23 0.00 2.66 2.66 0.00 0.00 7.07 7.11 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 10 Y 7.95 4.15 0.00 3.29 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 8.52 3.93 0.00 2.05 1.79 1.13 0.82 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 8.47 4.38 0.00 2.89 2.82 0.00 0.00 6.66 8.94 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 13 K 8.03 3.87 0.00 1.85 1.97 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 7.98 3.80 0.00 0.97 1.11 0.97 0.71 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 15 L 7.67 3.94 0.00 1.66 1.82 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.16 3.66 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 0.00 0.00 0.00 17 N 8.10 4.33 0.00 2.96 2.91 0.00 0.00 7.05 7.72 0.00 0.00 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 4.10 0.00 2.26 2.28 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 2.76 2.90 0.00 19 L 8.23 4.05 0.00 1.81 1.72 0.92 1.01 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 20 V 7.77 3.57 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 1.02 0.00 0.00 0.99 0.00 0.00 21 A 8.07 3.87 1.48 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 0.00 0.00 22 I 8.27 3.76 2.05 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 1.61 0.88 0.90 0.00 0.00 23 N 7.87 4.39 0.00 2.91 2.86 0.00 0.00 6.76 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 24 Q 8.21 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.14 4.34 0.00 3.22 3.07 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 0.00 0.00 0.00 26 F 8.45 3.90 0.00 3.42 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 27 L 8.17 3.95 0.00 1.98 1.60 0.89 0.91 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 28 H 8.31 3.76 0.00 3.49 3.20 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 8.20 4.17 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 30 R 7.71 3.80 0.00 1.77 1.89 0.00 3.27 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.77 0.00 31 M 7.80 3.40 0.00 0.81 1.49 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.16 0.00 32 F 7.44 4.57 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.88 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 8.04 4.23 0.00 2.66 2.68 0.00 0.00 7.36 7.53 0.00 0.00 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 7.94 4.77 0.00 3.74 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 36 G 8.37 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 0.00 0.00 0.00 37 L 8.17 4.67 0.00 2.19 1.68 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 3.80 0.00 2.00 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.61 7.81 39 R 8.23 3.90 0.00 2.10 2.00 0.00 3.52 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.77 4.10 0.00 1.67 1.03 1.10 0.23 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 41 N 8.21 4.53 0.00 3.11 3.03 0.00 0.00 7.19 8.50 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 42 D 8.05 4.31 0.00 2.85 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 43 V 7.52 3.26 1.64 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 -0.74 0.00 0.00 0.81 0.00 0.00 44 E 8.29 3.90 0.00 2.35 2.39 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 2.64 3.15 0.00 45 Y 8.19 3.89 0.00 2.94 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 46 H 8.15 3.91 0.00 3.33 3.37 0.00 5.85 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 47 E 8.14 3.41 0.00 1.16 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 1.87 1.78 0.00 48 S 7.76 4.11 0.00 4.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.37 3.54 1.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.78 0.00 0.00 50 D 7.86 4.20 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.09 4.18 0.00 2.19 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 2.71 2.82 0.00 52 M 8.03 4.07 0.00 2.04 2.21 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 2.82 2.55 0.00 53 K 8.07 3.90 0.00 1.88 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.25 4.11 0.00 3.55 3.47 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 8.52 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.30 0.00 2.91 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 57 R 7.91 3.86 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 58 Y 7.76 4.28 0.00 3.25 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 8.18 3.76 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 0.94 0.95 0.00 0.00 60 E 8.44 4.06 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 61 R 8.19 4.00 0.00 2.12 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.35 3.76 2.07 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 1.59 0.62 0.96 0.00 0.00 63 L 8.06 4.01 0.00 2.10 1.79 0.95 0.97 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 8.19 4.34 0.00 2.96 3.32 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 65 L 8.04 4.60 0.00 1.88 1.63 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.93 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 8.25 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.55 0.00 1.59 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 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 3.67 0.00 0.00 3.80 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 9.54 4.70 0.00 2.60 2.72 0.00 0.00 7.07 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 71 L 8.30 4.62 0.00 1.63 1.64 0.94 0.98 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 72 Q 8.53 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.08 4.66 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 8.30 4.57 0.00 1.52 1.51 0.91 1.06 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 8.43 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 76 K 8.30 4.12 0.00 1.72 1.72 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 8.31 4.21 0.00 1.64 1.55 0.90 0.96 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 78 N 8.66 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.51 0.00 0.00 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 8.35 3.79 1.89 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 0.91 0.93 0.00 0.00 80 G 8.21 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.78 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 82 D 7.71 4.98 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 8.51 4.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.29 0.00 0.00 84 E 8.19 3.87 0.00 2.02 1.91 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 2.34 2.29 0.00 85 E 8.43 3.95 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 86 M 8.36 4.22 0.00 2.19 1.83 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.05 0.00 87 L 8.33 4.17 0.00 2.07 1.77 1.28 0.74 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 88 R 8.33 3.97 0.00 2.00 1.99 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 89 S 8.14 4.13 0.00 4.03 4.09 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 90 D 8.18 4.21 0.00 3.12 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.98 0.00 1.91 1.89 0.98 0.86 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 8.38 3.99 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 7.94 3.92 0.00 1.88 1.82 0.90 0.96 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 94 E 8.41 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.17 4.02 0.00 2.05 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 8.30 4.49 0.00 2.86 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 8.32 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 8.45 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.06 3.85 0.00 2.05 2.05 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 8.14 4.41 0.00 3.02 2.90 0.00 0.00 7.10 6.76 0.00 0.00 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 8.05 4.00 0.00 2.00 1.74 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.12 3.89 0.00 2.01 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 1.98 0.00 103 E 8.06 3.85 0.00 2.09 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 2.37 2.39 0.00 104 A 7.74 2.82 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 0.00 0.00 0.00 0.00 0.00 105 I 8.03 3.72 1.89 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 1.45 0.91 0.00 0.00 106 G 7.69 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 7.93 4.09 0.00 3.13 2.89 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 0.00 108 A 8.20 3.82 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 7.77 4.12 0.00 2.81 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 7.49 4.09 0.00 3.98 3.86 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 0.00 111 V 6.82 3.95 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 0.51 0.00 0.00 0.63 0.00 0.00 112 H 7.01 2.77 0.00 3.15 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.42 4.50 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.60 4.37 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 7.86 3.72 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 116 S 8.22 4.14 0.00 3.99 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 7.97 3.88 0.00 1.91 2.19 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.36 4.31 0.00 2.98 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 0.00 119 M 8.20 3.95 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 120 M 8.30 4.14 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.81 0.00 121 I 8.14 3.74 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 1.08 0.91 0.00 0.00 122 E 8.09 3.96 0.00 2.20 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 2.31 2.47 0.00 123 I 7.67 3.51 1.89 0.00 0.00 0.31 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 0.53 0.74 0.00 0.00 124 L 8.11 3.94 0.00 1.86 1.84 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.08 3.88 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 1.69 0.00 126 D 8.00 4.35 0.00 3.02 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 0.00 127 E 8.34 4.01 0.00 2.14 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 2.52 2.56 0.00 128 E 8.74 4.36 0.00 2.01 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 2.37 2.53 0.00 129 G 7.94 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 8.29 4.56 0.00 3.55 3.63 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 8.39 3.82 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 0.90 0.97 0.00 0.00 132 D 8.38 4.37 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.35 4.13 0.00 3.56 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 8.23 3.72 0.00 2.02 1.74 1.34 1.29 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 0.00 135 E 8.38 3.93 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 2.56 0.00 136 T 7.86 3.78 4.22 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 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 1.63 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 1.47 1.47 0.00 138 L 7.64 3.76 0.00 1.72 1.61 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.03 4.37 0.00 2.79 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 8.01 4.00 0.00 1.87 1.84 0.98 0.73 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 0.00 141 I 7.33 3.39 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.03 0.71 0.00 0.00 142 Q 7.34 3.97 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 143 K 7.96 4.13 0.00 1.79 1.86 0.00 1.75 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 1.46 1.49 7.81 144 M 8.17 4.37 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.89 0.00 145 G 7.56 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 8.36 3.98 0.00 1.75 1.67 0.97 0.70 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 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.13 4.34 0.00 2.98 2.89 0.00 0.00 6.67 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.96 3.98 0.00 3.02 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 8.52 4.06 0.00 2.02 1.70 1.05 0.83 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 0.00 151 Q 8.18 3.95 0.00 2.11 2.23 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 7.67 4.14 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 7.72 4.26 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 154 I 7.25 4.18 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.94 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.50 4.11 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 2.26 2.27 0.00 157 E 8.47 4.10 0.00 1.95 1.87 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 2.26 2.30 0.00 *158 G 8.54 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.