NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2048 8.1633 120.2856 54.6964 33.1765 174.2026 2 K 4.0248 8.4973 126.3207 56.1809 32.4612 175.7482 3 G 3.9433 8.7039 113.7116 44.8343 0.0000 171.9934 4 D 4.5489 8.4830 119.6536 54.4439 41.9397 176.9447 5 T 3.8701 8.9316 122.9871 66.9260 68.5721 176.6036 6 K 3.8566 8.1795 120.8076 59.1246 32.2327 178.8930 7 V 3.9070 8.5461 118.9116 66.1340 31.4265 177.9216 8 I 3.7542 7.7237 119.2896 64.6244 36.9154 178.0992 9 N 4.2424 8.2345 117.0952 56.4340 38.3406 176.9828 10 Y 4.1005 7.9589 118.0156 61.2062 38.0438 178.7293 11 L 3.9289 8.5407 120.1028 57.9823 41.6366 179.4771 12 N 4.3734 8.4861 116.7253 55.9666 38.4259 177.4631 13 K 3.8652 8.3048 121.5544 59.4078 32.3263 178.9276 14 L 3.8242 8.1929 119.6358 57.6266 41.3934 179.0363 15 L 4.0220 7.9064 120.7115 58.1337 41.9355 179.2420 16 G 3.6171 8.1530 105.7100 47.8980 0.0000 175.2870 17 N 4.3424 7.9915 119.1061 56.1040 38.5892 177.3396 18 E 4.0804 8.2773 119.8064 59.4293 29.4512 179.2691 19 L 3.9869 8.1774 119.1741 57.8433 41.6274 179.8108 20 V 3.5870 7.7619 117.5389 66.0736 31.5250 177.9082 21 A 3.8699 8.1794 120.5044 55.0473 18.1393 179.4300 22 I 3.7557 8.4666 118.6471 64.8891 37.1877 178.4339 23 N 4.3751 7.9065 117.0373 56.4122 38.3780 177.4156 24 Q 3.8363 8.2928 121.1681 59.3345 29.0739 177.9108 25 Y 4.3385 8.4906 118.3123 60.9239 37.9236 178.0061 26 F 3.8272 8.6098 121.7618 61.0621 39.4971 176.7878 27 L 3.9752 8.2983 120.1243 58.6088 41.8361 178.4628 28 H 3.8389 8.2568 115.8222 58.7941 28.6266 177.2202 29 A 4.1723 8.3244 122.7562 55.7504 18.1156 179.9819 30 R 3.8769 7.8480 115.6067 58.7940 30.1293 179.3079 31 M 3.5934 7.8267 119.2328 58.2075 31.8722 178.3818 32 F 4.5726 7.6760 118.2450 60.6876 39.1424 177.6705 33 K 3.9311 8.1779 119.0413 59.5456 31.7868 178.2213 34 N 4.2883 8.0383 116.1625 56.8579 38.9891 176.6159 35 F 4.7650 8.2486 117.8821 59.0461 38.9692 176.4890 36 G 3.9824 8.1007 106.2515 45.8789 0.0000 175.2147 37 L 4.4824 8.0698 122.1464 52.6128 38.2265 176.9213 38 K 3.8143 7.9454 122.9671 59.9421 32.5711 177.5195 39 R 3.9312 8.2509 118.8439 59.2806 29.9526 178.4638 40 L 4.1116 7.9189 118.8990 57.3286 41.4446 178.8477 41 N 4.5665 8.1852 116.7938 56.7823 38.9897 176.4796 42 D 4.3093 8.0745 120.2238 57.3785 41.0958 178.9821 43 V 3.3548 7.6212 118.4547 66.0821 31.4187 177.9639 44 E 3.8304 8.3671 118.4372 59.2344 29.2982 178.5741 45 Y 3.8260 8.2013 119.8759 61.1577 38.5154 178.0658 46 H 4.1980 8.3203 115.9815 57.8621 28.7073 177.2083 47 E 3.7539 7.5171 120.3905 58.2026 29.5039 178.3658 48 S 4.0818 7.8314 113.5807 61.5511 62.4475 176.2334 49 I 3.5567 7.3457 122.2775 64.3696 36.7985 177.8198 50 D 4.2030 7.4665 118.1651 57.5268 40.9856 178.3130 51 E 4.0852 8.1256 118.8267 59.2765 29.3177 179.2583 52 M 4.0554 7.9947 119.0996 58.3453 32.0384 178.6846 53 K 3.8879 8.0554 118.5541 59.8158 32.1980 179.1085 54 H 4.0978 8.0363 115.9999 58.7454 28.6150 177.4643 55 A 4.2363 8.3328 122.8926 55.4708 18.2062 178.9863 56 D 4.3140 8.3960 116.6157 57.7701 41.2432 178.8260 57 R 3.8858 7.8702 118.3349 59.4019 29.9955 178.6732 58 Y 4.3107 7.8858 116.4682 61.2468 37.9128 178.6716 59 I 3.7896 8.2932 121.0991 64.5973 37.1750 178.4296 60 E 4.0736 8.4406 119.4436 59.1772 29.2121 179.4334 61 R 4.0377 8.1518 118.9078 59.5075 30.1991 178.4942 62 I 3.7736 8.5140 119.9738 64.5544 37.1519 178.4178 63 L 4.0511 8.0805 119.7014 57.7065 41.2172 179.3585 64 F 4.4132 8.1879 119.7092 61.2886 39.7173 176.5139 65 L 4.5329 8.2017 117.8115 54.0088 41.1700 177.2398 66 E 3.9040 7.9765 117.6265 57.3770 27.0451 174.5906 67 G 3.9230 8.2128 108.9135 44.1591 0.0000 173.7778 68 L 4.5237 8.0061 119.1710 51.9996 41.9215 175.0665 69 P 4.3779 0.0000 0.0000 62.5562 31.7617 176.0403 70 N 4.7242 9.4409 122.2094 52.4044 38.7852 173.8387 71 L 4.6344 8.3323 124.1394 54.5552 42.4600 177.4733 72 Q 4.1438 8.5788 122.1680 58.1338 29.3863 175.9557 73 D 4.6719 8.0363 116.8038 52.9556 41.9275 175.2896 74 L 4.5923 8.2774 125.1722 52.7972 44.1774 176.5963 75 G 3.8145 8.4440 115.4018 44.6398 0.0000 171.8492 76 K 4.0912 8.3186 120.7624 55.8105 32.4240 176.6729 77 L 4.1212 8.3616 126.7963 54.3744 42.3211 175.9937 78 N 4.8366 8.8788 121.1204 52.1217 40.3621 173.9923 79 I 3.9435 8.5993 126.6328 63.6867 37.9406 177.8838 80 G 4.1789 8.1136 102.7825 45.8046 0.0000 172.5226 81 E 4.5873 8.6826 117.3212 56.2666 31.9177 176.7835 82 D 5.0915 7.6761 117.1372 50.8793 43.3929 176.8018 83 V 3.9618 8.4458 119.2888 66.6592 31.3010 177.5617 84 E 3.8431 8.1989 117.9052 59.4834 29.5301 178.1834 85 E 3.9769 8.3921 119.3064 59.5528 29.6220 178.7212 86 M 4.0836 8.2700 117.0953 58.2351 31.3930 178.5993 87 L 4.1499 8.4368 120.5268 57.6425 41.7465 179.4811 88 R 3.9068 8.4596 119.1163 59.3273 30.0779 178.5621 89 S 4.0892 8.2123 113.1694 61.3539 62.3932 175.8018 90 D 4.2162 8.1457 121.6464 57.1439 40.5027 178.4763 91 L 3.9713 8.1943 120.5675 58.3042 42.1813 178.7713 92 A 3.9848 8.2185 120.8041 55.2754 18.2437 179.4047 93 L 3.9391 7.8882 118.5086 58.1321 42.0549 178.8395 94 E 4.0571 8.2821 119.4859 59.1382 29.7485 178.6917 95 L 4.0245 8.2243 119.2866 58.0341 41.8296 179.3062 96 D 4.5295 8.3688 118.9516 57.1716 40.7201 179.1039 97 G 3.6378 8.3150 106.3029 47.6167 0.0000 175.7176 98 A 4.0757 8.4259 123.5178 54.6149 18.4205 179.5687 99 K 3.8501 7.9764 117.7766 59.9754 32.2541 178.8344 100 N 4.4275 8.0784 116.2063 56.1637 38.3077 177.4653 101 L 3.9793 8.0642 120.4439 57.8819 41.6384 179.6776 102 R 3.8968 8.1840 118.1248 59.2189 29.9164 178.7869 103 E 3.8550 8.1141 118.5982 59.2493 29.6034 178.7267 104 A 2.8304 7.9287 120.9837 54.7681 18.3872 179.6469 105 I 3.7085 8.0507 118.8307 64.4698 36.9437 178.9129 106 G 3.5917 7.6037 105.3668 47.8311 0.0000 174.9196 107 Y 4.1064 7.7660 121.3880 60.3259 38.8862 177.3573 108 A 3.8071 8.1684 122.0152 55.2617 18.3892 179.0231 109 D 4.0632 7.8979 116.4528 57.4657 41.1128 178.5690 110 S 4.1579 7.5024 112.8880 60.1731 63.2493 175.6831 111 V 4.0067 6.8660 113.7920 60.7583 31.6319 175.6562 112 H 2.8064 7.1356 114.3510 56.5951 27.0488 176.4655 113 D 4.5558 7.4094 121.0707 53.5760 37.4867 176.2723 114 Y 4.3245 7.4638 121.4430 60.6942 38.4562 178.3226 115 V 3.7210 7.8902 119.9695 64.8056 31.6982 178.3663 116 S 4.1707 8.3827 115.8631 61.3820 62.6225 176.6958 117 R 3.8763 8.0145 121.2529 59.3939 29.9554 177.9811 118 D 4.3097 8.4406 118.1288 57.6040 41.2957 177.7134 119 M 3.9644 8.1659 118.6450 59.2097 32.1192 178.1554 120 M 4.1501 8.2563 118.7375 58.4133 32.0868 178.8597 121 I 3.7267 8.2594 120.5525 64.2456 37.2366 178.2943 122 E 3.9653 8.1200 119.3164 59.4681 29.2272 179.4786 123 I 3.5441 7.6223 119.7112 64.0999 37.1337 178.1475 124 L 3.9176 8.1488 121.4551 58.1963 41.9233 178.7779 125 R 3.8987 8.0469 118.5269 59.8356 30.0165 178.1309 126 D 4.3424 8.0746 118.3737 57.3869 40.7203 178.7052 127 E 3.9420 8.3355 119.3027 59.4440 29.4025 179.1557 128 E 4.1423 8.8199 119.2170 59.1884 29.4625 179.5782 129 G 3.7191 8.0790 105.7932 48.2775 0.0000 175.3673 130 H 4.4308 8.0909 118.9229 58.5450 28.6977 177.7962 131 I 3.8098 8.2753 121.9741 64.5637 37.0252 177.6325 132 D 4.3982 8.4408 118.9425 57.2789 41.0100 178.2590 133 W 4.1442 8.3777 128.4386 60.5125 30.8120 177.7250 134 L 3.7598 8.5617 119.1951 57.9038 41.1439 179.3843 135 E 3.9261 8.5122 118.6574 59.7332 29.3288 179.5710 136 T 3.7849 7.8465 115.5336 66.6678 68.5171 176.4126 137 E 3.7551 7.6589 120.2764 59.4513 29.2475 179.5532 138 L 3.7743 7.7035 118.7950 57.7596 41.5403 179.3757 139 D 4.2895 8.1366 118.9422 57.1175 40.6521 178.6264 140 L 3.9756 8.1079 119.9119 57.8626 41.6695 179.5211 141 I 3.4581 7.4843 119.5747 64.4908 36.7561 178.5532 142 Q 3.9372 7.4095 117.4583 58.8815 28.6223 178.6578 143 K 4.1403 8.1784 119.0885 58.9550 32.3013 178.5072 144 M 4.3659 8.3978 114.7884 54.0183 32.4756 177.1351 145 G 4.1143 7.5836 105.9447 45.9943 0.0000 174.3516 146 L 3.9631 8.4620 121.8062 58.0683 42.1430 179.3925 147 Q 4.0002 8.0747 117.3640 59.3357 28.8229 178.6782 148 N 4.3794 8.1463 116.7896 56.2490 38.3660 176.7111 149 Y 3.9641 7.9758 120.2401 60.5979 39.1549 177.8377 150 L 4.0641 8.3872 120.2179 58.0377 41.7026 179.1369 151 Q 3.9248 8.1090 119.0684 59.3174 28.6747 178.0505 152 A 4.1632 7.5903 119.1106 53.4437 18.6871 178.2141 153 Q 4.3206 7.8800 116.2139 55.3783 29.1707 177.5878 154 I 3.8348 7.3447 121.7399 64.0023 37.3683 176.6664 155 R 4.5900 7.5240 117.2719 54.1067 31.7742 176.0650 156 E 4.1368 8.3718 118.7496 55.9615 30.5161 175.8451 157 E 4.0873 8.5137 121.9253 55.3301 30.4619 176.5659 *158 G 3.7287 8.6050 114.1579 45.8882 0.0000 172.1699 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.20 0.00 1.45 1.77 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.50 4.02 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.70 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.48 4.55 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.93 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.18 3.86 0.00 1.72 1.92 0.00 1.42 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.84 1.05 7.81 7 V 8.55 3.91 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 1.05 0.00 0.00 1.22 0.00 0.00 8 I 7.72 3.75 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.92 0.00 0.00 9 N 8.23 4.24 0.00 2.59 2.67 0.00 0.00 7.06 7.03 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 10 Y 7.96 4.10 0.00 3.21 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 8.54 3.93 0.00 2.00 1.77 1.10 0.85 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 8.49 4.37 0.00 2.88 2.81 0.00 0.00 6.66 8.32 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 13 K 8.30 3.87 0.00 1.76 1.96 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.19 3.82 0.00 0.90 1.19 0.95 0.53 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 7.91 4.02 0.00 1.67 1.82 1.07 1.14 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 16 G 8.15 3.62 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 0.00 0.00 0.00 17 N 7.99 4.34 0.00 2.98 2.92 0.00 0.00 7.08 7.81 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 18 E 8.28 4.08 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.90 0.00 19 L 8.18 3.99 0.00 1.93 1.73 0.95 1.01 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 20 V 7.76 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 21 A 8.18 3.87 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.47 3.76 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.91 0.00 0.00 23 N 7.91 4.38 0.00 2.85 2.86 0.00 0.00 6.75 8.00 0.00 0.00 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 8.29 3.84 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 25 Y 8.49 4.34 0.00 3.22 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 26 F 8.61 3.83 0.00 3.41 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.30 3.98 0.00 1.96 1.60 0.90 1.27 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 28 H 8.26 3.84 0.00 3.53 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 8.32 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.85 3.88 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.81 0.00 31 M 7.83 3.59 0.00 1.36 1.73 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 32 F 7.68 4.57 0.00 3.32 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 33 K 8.18 3.93 0.00 2.00 1.94 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 34 N 8.04 4.29 0.00 2.73 2.77 0.00 0.00 7.32 7.81 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 35 F 8.25 4.77 0.00 3.32 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 36 G 8.10 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 8.07 4.48 0.00 2.12 1.63 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.81 0.00 2.04 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.25 3.93 0.00 2.11 1.99 0.00 3.49 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.92 4.11 0.00 1.69 1.02 1.10 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.19 4.57 0.00 3.10 3.02 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 8.07 4.31 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.62 3.35 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 0.79 0.00 0.00 44 E 8.37 3.83 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.15 0.00 45 Y 8.20 3.83 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.32 4.20 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.52 3.75 0.00 1.53 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.00 48 S 7.83 4.08 0.00 3.90 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 49 I 7.35 3.56 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.68 0.84 0.00 0.00 50 D 7.47 4.20 0.00 2.89 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 51 E 8.13 4.09 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.82 0.00 52 M 7.99 4.06 0.00 2.05 2.25 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 2.81 2.56 0.00 53 K 8.06 3.89 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.04 4.10 0.00 3.55 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 8.33 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.40 4.31 0.00 2.88 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 7.87 3.89 0.00 1.82 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 58 Y 7.89 4.31 0.00 3.24 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 8.29 3.79 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.95 0.00 0.00 60 E 8.44 4.07 0.00 2.04 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 2.35 2.62 0.00 61 R 8.15 4.04 0.00 2.13 2.22 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.51 3.77 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.99 0.00 0.00 63 L 8.08 4.05 0.00 2.12 1.80 0.95 1.01 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 8.19 4.41 0.00 3.00 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 65 L 8.20 4.53 0.00 1.80 1.61 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.90 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 67 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.52 0.00 1.60 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.44 4.72 0.00 2.59 2.80 0.00 0.00 7.08 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 71 L 8.33 4.63 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 4.14 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.67 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.28 4.59 0.00 1.52 1.50 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.44 3.81 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 8.32 4.09 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.36 4.12 0.00 1.64 1.55 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.88 4.84 0.00 2.62 2.68 0.00 0.00 7.18 7.23 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 79 I 8.60 3.94 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.93 0.00 0.00 80 G 8.11 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 81 E 8.68 4.59 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 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.45 3.96 2.19 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 1.25 0.00 0.00 1.22 0.00 0.00 84 E 8.20 3.84 0.00 2.01 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 2.32 2.26 0.00 85 E 8.39 3.98 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 86 M 8.27 4.08 0.00 2.21 1.79 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.91 0.00 87 L 8.44 4.15 0.00 2.03 1.77 1.29 0.65 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 88 R 8.46 3.91 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.21 4.09 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.15 4.22 0.00 3.12 2.75 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 91 L 8.19 3.97 0.00 1.82 1.89 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.22 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.89 3.94 0.00 1.86 1.82 0.90 0.58 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 8.28 4.06 0.00 2.47 2.18 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 2.50 2.53 0.00 95 L 8.22 4.02 0.00 2.09 1.73 0.96 1.21 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 8.37 4.53 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.31 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.43 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.98 3.85 0.00 2.05 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.08 4.43 0.00 2.99 2.91 0.00 0.00 7.11 6.02 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 0.00 101 L 8.06 3.98 0.00 2.01 1.74 0.98 0.83 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 8.18 3.90 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.11 3.86 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 104 A 7.93 2.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.05 3.71 1.90 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 1.00 0.91 0.00 0.00 106 G 7.60 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.77 4.11 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.17 3.81 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 0.00 109 D 7.90 4.06 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.50 4.16 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.87 4.01 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 0.54 0.00 0.00 0.64 0.00 0.00 112 H 7.14 2.81 0.00 3.15 3.32 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 7.41 4.56 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 7.46 4.32 0.00 3.09 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 0.00 115 V 7.89 3.72 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 116 S 8.38 4.17 0.00 4.18 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 8.01 3.88 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.44 4.31 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.17 3.96 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 120 M 8.26 4.15 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.81 0.00 121 I 8.26 3.73 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.91 0.00 0.00 122 E 8.12 3.97 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 123 I 7.62 3.54 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.73 0.00 0.00 124 L 8.15 3.92 0.00 1.85 1.85 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.05 3.90 0.00 2.01 2.15 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 8.07 4.34 0.00 2.98 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 8.34 3.94 0.00 2.13 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 2.61 2.55 0.00 128 E 8.82 4.14 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 129 G 8.08 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.09 4.43 0.00 3.54 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.28 3.81 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.97 0.00 0.00 132 D 8.44 4.40 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.38 4.14 0.00 3.54 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.56 3.76 0.00 2.11 1.76 1.35 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.51 3.93 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 136 T 7.85 3.78 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 137 E 7.66 3.76 0.00 1.57 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 0.00 1.47 1.47 0.00 138 L 7.70 3.77 0.00 1.74 1.60 0.88 0.74 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 8.14 4.29 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.11 3.98 0.00 1.87 1.85 0.95 0.91 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 0.00 141 I 7.48 3.46 1.71 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 -0.04 -0.10 0.71 0.00 0.00 142 Q 7.41 3.94 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 8.18 4.14 0.00 1.69 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 144 M 8.40 4.37 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 145 G 7.58 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.46 3.96 0.00 1.75 1.68 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.07 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.38 0.00 2.97 2.88 0.00 0.00 6.68 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.98 3.96 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.39 4.06 0.00 2.04 1.70 1.06 0.76 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 0.00 151 Q 8.11 3.92 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.59 4.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.88 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 154 I 7.34 3.83 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 0.90 0.00 0.00 155 R 7.52 4.59 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 156 E 8.37 4.14 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 157 E 8.51 4.09 0.00 1.95 1.90 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 2.26 2.30 0.00 *158 G 8.61 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.