NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1842 8.1627 120.2785 54.7007 33.2499 173.9918 2 K 3.9679 8.5290 128.2515 56.2619 32.7074 175.0786 3 G 4.0084 8.5968 116.0831 44.8467 0.0000 171.4296 4 D 4.6674 8.4299 119.2680 54.0531 42.0464 177.1634 5 T 3.8535 8.9130 123.0127 66.9560 68.5647 176.5692 6 K 3.8039 8.1463 120.7346 59.0613 32.1875 178.8776 7 V 3.8739 8.4668 118.8562 66.2443 31.4561 177.9764 8 I 3.7828 7.7532 119.3903 64.4861 36.9194 178.1145 9 N 4.2361 8.3005 117.2603 56.4651 38.3755 177.0040 10 Y 4.0846 7.9705 117.9246 61.1357 38.0411 178.4434 11 L 3.8504 8.5787 120.1291 58.1637 41.6863 179.5583 12 N 4.3246 8.4776 116.4772 56.0233 38.4322 177.4516 13 K 3.8643 7.9873 121.0360 59.4113 32.3346 178.8581 14 L 3.8212 8.2500 119.5644 57.6497 41.4764 179.0419 15 L 4.0234 7.8250 120.7163 58.2274 41.8913 179.2957 16 G 3.6144 8.1954 105.7136 47.8932 0.0000 175.3739 17 N 4.3789 8.0453 118.9768 56.0589 38.5178 177.2843 18 E 4.1105 8.2782 120.1821 59.3199 29.1678 179.0596 19 L 4.3268 8.0554 118.7661 57.3271 40.7846 179.4264 20 V 3.6090 7.7082 120.5003 64.7944 31.4499 178.0118 21 A 3.9042 8.0887 121.6720 54.8841 18.2170 179.4224 22 I 3.7652 8.2271 118.6126 64.9342 37.2030 178.4615 23 N 4.4219 7.8975 116.2214 56.2711 38.3134 177.4468 24 Q 3.8404 8.3445 121.2283 59.3707 29.0748 177.8077 25 Y 4.2829 8.4873 118.2746 60.9678 37.9907 178.3098 26 F 3.8890 8.4829 121.7350 61.0141 39.6021 176.9154 27 L 3.9374 8.2320 120.0204 58.5800 41.8867 178.3407 28 H 3.7790 8.2863 116.1223 58.9185 28.6551 177.2903 29 A 4.1533 8.1416 122.3269 55.4928 18.2545 179.6564 30 R 3.9330 7.6112 114.8298 58.1427 30.2540 179.1639 31 M 3.4361 7.5277 119.3113 58.1074 31.8980 178.3995 32 F 4.6064 7.4448 117.9363 60.6234 39.1354 177.6614 33 K 3.9410 8.1955 119.1436 59.4638 31.7759 178.2096 34 N 4.2797 7.7194 116.0601 56.5903 39.0058 176.3936 35 W 4.7539 7.8243 117.1724 57.4446 29.1145 177.2269 36 G 3.9834 8.3486 108.1844 46.1818 0.0000 174.2818 37 L 4.6701 7.9213 121.8786 52.7308 38.1929 177.0709 38 K 3.8177 7.9615 122.8171 60.0206 32.6166 177.3425 39 R 3.9952 8.3382 118.8175 59.0344 29.9713 178.3849 40 L 4.1305 7.8482 118.7312 57.2751 41.5217 178.8260 41 N 4.5494 8.1661 116.7037 56.8418 39.0532 176.2974 42 D 4.3729 8.0526 120.2768 57.5756 40.9500 179.2583 43 V 3.3528 7.6369 118.2267 65.8672 31.5171 177.7499 44 E 3.8421 8.3797 119.2346 59.1671 29.5202 177.9947 45 Y 3.9764 8.4585 120.1750 61.0545 38.8900 177.6757 46 H 3.9674 8.2882 118.9897 59.2396 29.8659 177.0485 47 E 3.5465 7.7344 120.4423 58.6305 29.1121 178.8808 48 S 4.0534 7.6323 113.4163 61.5494 62.3882 176.3700 49 I 3.5097 7.1722 122.1052 64.3005 36.7898 177.9752 50 D 4.1697 7.6785 119.5705 57.6002 40.6199 178.8398 51 E 4.0047 8.0723 118.7227 59.6907 29.3714 179.4834 52 M 4.0422 7.9203 118.7219 58.3122 32.0419 178.8479 53 K 3.9419 7.9897 118.6218 59.6582 32.1880 179.0194 54 H 4.0756 8.2250 116.1484 58.8173 28.6122 177.4768 55 A 4.2223 8.2470 122.5974 55.4249 18.2517 178.8985 56 D 4.3029 8.4743 116.7889 57.7274 41.1972 178.8330 57 R 3.8600 7.8874 118.1617 59.4810 30.0715 178.5260 58 Y 4.3421 7.7002 116.3125 61.3038 37.9056 178.8640 59 I 3.7674 8.1390 120.7237 64.7049 37.2694 178.4645 60 E 4.0516 8.3655 119.2605 59.1092 29.1888 179.5359 61 R 4.0382 8.1111 118.9354 59.5003 30.1930 178.3164 62 I 3.7627 8.4297 119.9697 64.6806 37.1305 178.3890 63 L 4.0204 8.1637 119.5635 57.7747 41.2200 179.3956 64 F 4.3471 8.1514 119.6891 61.1554 39.7200 176.4585 65 L 4.3611 8.2036 117.9604 53.9465 41.1955 177.1590 66 E 3.8453 8.0442 117.6975 57.4164 27.0304 174.4618 67 G 3.9557 8.1455 108.2254 44.0041 0.0000 173.6290 68 L 4.5302 8.0196 119.0017 52.0375 42.1511 175.2373 69 P 4.4276 0.0000 0.0000 62.4572 31.7920 175.7987 70 N 4.7501 9.6192 122.2294 52.3411 39.0995 173.8823 71 L 4.6484 8.2817 124.2953 54.6567 42.5636 177.9818 72 Q 4.0868 8.5793 119.8487 58.7617 28.8263 176.4485 73 D 4.6599 8.0433 116.5220 53.0158 41.8853 175.4335 74 L 4.6089 8.2602 125.2508 52.6846 44.2535 176.3282 75 G 3.7967 8.5019 114.9583 44.6986 0.0000 172.3009 76 K 4.0196 8.3106 120.6552 56.0078 32.3039 176.2594 77 L 4.0758 8.4162 127.0439 54.3770 42.2299 176.0225 78 N 4.7817 8.7849 122.2121 51.9204 39.5620 173.2522 79 I 4.3562 8.1722 126.6067 59.5985 38.7503 176.6129 80 G 4.0398 8.6094 114.0752 44.9697 0.0000 172.7426 81 E 4.6631 8.7958 116.8944 56.4991 31.0183 176.5172 82 D 4.9765 7.6611 117.5905 50.2771 44.0273 176.0195 83 V 4.0394 8.5541 119.6211 66.7393 31.3970 177.6359 84 E 3.8144 8.2034 117.9046 59.4586 29.5948 177.9963 85 E 3.9806 8.5426 119.4069 59.6663 29.5855 178.8940 86 M 4.0834 8.5227 117.1915 58.3084 31.4373 178.5259 87 L 4.1216 8.5747 120.6354 57.6118 41.8527 179.5201 88 R 3.9099 8.6645 118.8988 59.3430 29.9943 178.5757 89 S 4.1067 8.2691 113.1458 61.3751 62.3295 175.8207 90 D 4.2200 8.1468 121.6821 57.0977 40.4594 178.4281 91 L 3.9873 8.1637 120.6029 58.3427 42.1752 178.9705 92 A 3.9836 7.9676 120.4845 54.9951 18.2295 179.4281 93 L 3.9420 7.8358 118.5492 58.1759 42.1185 178.9330 94 E 4.0644 8.5435 118.9208 59.5047 29.4693 179.2576 95 L 4.0365 8.2067 119.1269 58.0457 41.8012 179.4334 96 D 4.4868 8.3492 118.8580 57.3196 40.7756 179.0588 97 G 3.6713 8.3462 106.0663 47.7168 0.0000 175.6116 98 A 4.0522 8.4815 123.5463 54.6602 18.4299 179.4756 99 K 3.8337 8.0901 118.1784 59.9871 32.3083 178.7341 100 N 4.4060 8.1005 116.2905 56.2211 38.3244 177.4553 101 L 3.9905 8.0954 120.3906 57.8080 41.7608 179.5990 102 R 3.8830 8.1056 118.0387 59.2346 30.1386 178.5712 103 E 3.8578 8.0664 118.5520 59.4292 29.6629 178.8390 104 A 2.8354 7.7385 120.5557 54.6805 18.3585 179.7110 105 I 3.7337 7.9801 118.7591 64.4655 36.9686 178.9034 106 G 3.5981 7.6284 104.9948 47.8023 0.0000 174.9147 107 Y 4.0654 7.8861 121.3812 60.3747 38.8589 177.4506 108 A 3.8215 8.3475 122.1814 55.4848 18.5110 179.1224 109 D 4.0334 7.9056 116.3179 57.2677 41.0918 178.3308 110 S 4.1647 7.4495 113.0967 60.0164 63.3052 175.6936 111 V 3.9171 6.7857 114.1673 60.7560 31.5609 175.5156 112 H 2.9610 6.8951 113.4240 56.8213 26.9834 176.4460 113 D 4.5253 7.3779 121.3709 53.3154 37.7612 176.1573 114 Y 4.3122 7.3835 121.5249 60.5604 38.3692 178.2551 115 V 3.7174 7.8672 119.9282 64.7099 31.7533 178.3172 116 S 4.1621 8.2449 115.5681 61.5214 62.6633 176.6779 117 R 3.8851 8.0997 121.1189 59.4639 29.8999 178.0830 118 D 4.2885 8.3828 118.0632 57.4768 41.2715 177.6492 119 M 3.9751 8.3323 119.0845 59.2269 32.1164 178.2042 120 M 4.1520 8.3283 118.8531 58.3560 32.1048 178.8524 121 I 3.7382 8.0937 120.3535 64.2134 37.3491 178.2827 122 E 3.9613 8.0876 119.1523 59.5003 29.3392 179.4420 123 I 3.5750 7.6365 119.7718 64.2699 37.0583 178.2406 124 L 3.9722 8.1746 121.5283 58.1119 41.9999 178.9342 125 R 3.8946 8.0977 118.6878 59.5567 29.9739 178.2675 126 D 4.3477 7.9336 118.2800 57.2581 40.8016 178.6690 127 E 3.9123 8.1783 119.0933 59.4232 29.4658 178.6781 128 E 4.1095 8.5901 119.9000 59.4423 29.5165 179.2299 129 G 3.6423 7.9154 104.9604 48.2226 0.0000 175.3267 130 H 4.4364 8.1175 119.1209 58.5925 28.6580 177.8889 131 I 3.8180 8.4254 121.9130 64.5732 37.0121 177.7558 132 D 4.3783 8.4113 118.9308 57.1906 40.9258 178.1377 133 W 4.1327 8.5409 128.6040 60.5156 30.7312 177.5193 134 L 3.6878 8.2713 118.8309 58.1056 41.1982 179.4097 135 E 3.9016 8.3823 118.2047 59.8720 29.3280 179.7892 136 T 3.8071 7.8032 115.4590 66.5474 68.5162 176.6056 137 E 3.7732 7.7389 120.4788 59.3692 28.9918 179.3956 138 L 3.7626 7.8137 119.0393 57.9614 41.5976 179.4494 139 D 4.3134 8.1122 118.7015 57.2247 40.6163 178.8172 140 L 3.9773 8.0505 119.9000 57.7177 41.6015 179.4958 141 I 3.3769 7.4935 119.8307 64.3525 36.7246 178.2882 142 Q 3.9213 7.4067 118.7159 58.9059 28.9422 178.0295 143 K 4.1262 8.0362 119.1709 59.1240 32.3163 178.4722 144 M 4.3814 8.3028 114.4888 54.1756 32.3978 177.3451 145 G 4.0729 7.5601 105.1119 45.7915 0.0000 174.4171 146 L 3.9900 8.3485 120.6282 57.9669 42.1100 179.2127 147 Q 3.9988 8.0308 117.5167 59.2481 28.7835 178.5449 148 N 4.3409 8.1324 116.8862 56.2680 38.3940 176.5949 149 Y 3.9832 7.8593 120.1103 60.6905 39.1031 178.0185 150 L 4.0735 8.3442 120.0831 57.9815 41.6653 179.2043 151 Q 3.9069 8.2322 119.2119 59.1753 28.7013 177.9041 152 A 4.1424 7.7156 119.5358 53.4983 18.6499 178.2205 153 Q 4.3302 7.8676 116.1266 55.6110 29.2092 177.5229 154 I 3.9384 7.4304 121.2115 62.5976 37.4374 176.3363 155 R 4.5936 7.5421 119.7081 53.6498 32.1945 174.7864 156 E 4.0520 8.6310 123.4480 56.0080 30.3059 176.0056 157 E 3.9401 8.5986 123.5146 55.7886 30.3550 176.6197 *158 G 3.7299 8.6113 114.1503 45.8905 0.0000 172.1935 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 4.18 0.00 1.44 1.85 0.00 0.00 0.00 0.00 0.00 -0.21 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 8.53 3.97 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.60 4.01 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 0.00 0.00 0.00 4 D 8.43 4.67 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.91 3.85 4.23 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 1.18 0.00 0.00 6 K 8.15 3.80 0.00 1.67 1.74 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.83 1.02 7.81 7 V 8.47 3.87 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.23 0.00 0.00 8 I 7.75 3.78 2.03 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 1.55 0.69 0.91 0.00 0.00 9 N 8.30 4.24 0.00 2.71 2.58 0.00 0.00 7.02 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 Y 7.97 4.08 0.00 3.31 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 8.58 3.85 0.00 2.00 1.78 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 4.32 0.00 2.87 2.81 0.00 0.00 6.70 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 13 K 7.99 3.86 0.00 1.76 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.25 3.82 0.00 1.06 1.17 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.82 4.02 0.00 1.67 1.85 1.07 1.13 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 8.20 3.61 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 0.00 0.00 0.00 17 N 8.05 4.38 0.00 2.97 2.92 0.00 0.00 7.05 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.28 4.11 0.00 2.32 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 2.80 2.86 0.00 19 L 8.06 4.33 0.00 1.90 1.94 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.71 3.61 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 0.87 0.00 0.00 0.91 0.00 0.00 21 A 8.09 3.90 1.57 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 0.00 0.00 22 I 8.23 3.77 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 1.55 0.84 0.90 0.00 0.00 23 N 7.90 4.42 0.00 2.92 2.87 0.00 0.00 6.72 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 24 Q 8.34 3.84 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 25 Y 8.49 4.28 0.00 3.25 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 26 F 8.48 3.89 0.00 3.46 3.15 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 0.00 0.00 0.00 27 L 8.23 3.94 0.00 1.95 1.58 0.88 0.85 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 28 H 8.29 3.78 0.00 3.43 3.22 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 8.14 4.15 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 30 R 7.61 3.93 0.00 1.73 1.85 0.00 3.20 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.56 0.00 31 M 7.53 3.44 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.44 4.61 0.00 3.34 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 33 K 8.20 3.94 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.72 4.28 0.00 2.72 2.68 0.00 0.00 7.32 8.01 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 35 W 7.82 4.75 0.00 3.74 3.15 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 0.00 0.00 0.00 36 G 8.35 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 7.92 4.67 0.00 2.14 1.65 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.82 0.00 2.02 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.59 7.81 39 R 8.34 4.00 0.00 2.08 1.99 0.00 3.49 0.00 0.00 3.23 7.59 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 7.85 4.13 0.00 1.72 1.08 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.55 0.00 3.15 3.00 0.00 0.00 7.22 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 8.05 4.37 0.00 2.73 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 43 V 7.64 3.35 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 -0.63 0.00 0.00 0.69 0.00 0.00 44 E 8.38 3.84 0.00 2.55 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 2.81 2.76 0.00 45 Y 8.46 3.98 0.00 3.01 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 46 H 8.29 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.73 3.55 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 1.94 2.08 0.00 48 S 7.63 4.05 0.00 3.92 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 7.17 3.51 1.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.78 0.00 0.00 50 D 7.68 4.17 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.00 0.00 2.28 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 2.54 2.60 0.00 52 M 7.92 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.99 3.94 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.22 4.08 0.00 3.52 3.43 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 8.25 4.22 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 8.47 4.30 0.00 2.86 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 7.89 3.86 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 58 Y 7.70 4.34 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 8.14 3.77 2.04 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 0.83 0.95 0.00 0.00 60 E 8.37 4.05 0.00 2.04 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 2.63 0.00 61 R 8.11 4.04 0.00 2.11 2.24 0.00 3.38 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.43 3.76 2.07 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 1.59 0.88 0.98 0.00 0.00 63 L 8.16 4.02 0.00 2.10 1.80 0.95 0.93 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 8.15 4.35 0.00 3.03 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.20 4.36 0.00 1.80 1.62 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.04 3.85 0.00 2.06 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 2.15 2.25 0.00 67 G 8.15 3.96 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 0.00 0.00 0.00 68 L 8.02 4.53 0.00 1.62 1.62 0.92 0.99 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 69 P 0.00 4.43 0.00 2.06 2.02 0.00 3.65 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 9.62 4.75 0.00 2.59 2.81 0.00 0.00 7.09 8.43 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 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.04 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.61 0.00 1.52 1.50 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.50 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.42 4.08 0.00 1.64 1.56 0.95 0.98 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 78 N 8.78 4.78 0.00 2.64 2.71 0.00 0.00 7.17 8.07 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 79 I 8.17 4.36 1.87 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 1.32 0.53 0.93 0.00 0.00 80 G 8.61 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 81 E 8.80 4.66 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 82 D 7.66 4.98 0.00 2.78 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 83 V 8.55 4.04 2.20 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 1.09 0.00 0.00 1.24 0.00 0.00 84 E 8.20 3.81 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 2.33 2.27 0.00 85 E 8.54 3.98 0.00 2.24 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 2.35 2.36 0.00 86 M 8.52 4.08 0.00 2.11 1.74 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.96 0.00 87 L 8.57 4.12 0.00 1.99 1.77 1.29 0.81 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 88 R 8.66 3.91 0.00 2.09 1.94 0.00 3.09 0.00 0.00 3.08 7.59 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 8.27 4.11 0.00 4.06 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 3.06 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 91 L 8.16 3.99 0.00 1.81 1.87 0.98 0.97 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 7.97 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.84 3.94 0.00 1.85 1.82 0.91 0.94 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 8.54 4.06 0.00 2.27 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 0.00 2.63 2.73 0.00 95 L 8.21 4.04 0.00 2.02 1.75 0.96 1.46 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 96 D 8.35 4.49 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 8.35 3.67 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 0.00 0.00 0.00 98 A 8.48 4.05 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 8.09 3.83 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.10 4.41 0.00 3.02 2.90 0.00 0.00 7.11 6.38 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 0.00 101 L 8.10 3.99 0.00 1.98 1.73 0.98 0.87 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 0.00 102 R 8.11 3.88 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.10 7.55 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 3.86 0.00 2.20 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 2.41 2.40 0.00 104 A 7.74 2.84 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 7.98 3.73 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 0.99 0.91 0.00 0.00 106 G 7.63 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 7.89 4.07 0.00 3.20 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 0.00 108 A 8.35 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 7.91 4.03 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.45 4.16 0.00 3.95 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 6.79 3.92 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 0.53 0.00 0.00 0.63 0.00 0.00 112 H 6.90 2.96 0.00 3.21 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.77 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 4.53 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.38 4.31 0.00 3.12 2.97 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 0.00 115 V 7.87 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 1.08 0.00 0.00 0.97 0.00 0.00 116 S 8.24 4.16 0.00 4.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.10 3.89 0.00 1.89 2.17 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.38 4.29 0.00 2.94 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 8.33 3.98 0.00 2.25 2.04 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 2.48 2.47 0.00 120 M 8.33 4.15 0.00 2.14 2.24 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 2.92 2.79 0.00 121 I 8.09 3.74 2.01 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 1.04 0.92 0.00 0.00 122 E 8.09 3.96 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 7.64 3.58 1.94 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 1.10 0.79 0.70 0.00 0.00 124 L 8.17 3.97 0.00 1.85 1.83 0.99 0.87 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 8.10 3.89 0.00 2.06 2.12 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 7.93 4.35 0.00 3.03 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 8.18 3.91 0.00 2.17 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 2.57 2.52 0.00 128 E 8.59 4.11 0.00 2.31 2.12 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 2.34 2.43 0.00 129 G 7.92 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.12 4.44 0.00 3.63 3.60 0.00 5.65 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 8.43 3.82 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 0.88 0.97 0.00 0.00 132 D 8.41 4.38 0.00 2.94 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 8.54 4.13 0.00 3.55 3.53 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 0.00 0.00 0.00 0.00 134 L 8.27 3.69 0.00 2.01 1.75 1.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.90 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 2.33 2.51 0.00 136 T 7.80 3.81 4.21 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 1.18 0.00 0.00 137 E 7.74 3.77 0.00 1.51 1.67 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 1.47 1.47 0.00 138 L 7.81 3.76 0.00 1.69 1.61 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 4.31 0.00 2.77 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 0.00 140 L 8.05 3.98 0.00 1.89 1.84 1.01 1.06 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 7.49 3.38 1.69 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 -0.30 -0.32 0.69 0.00 0.00 142 Q 7.41 3.92 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.04 4.13 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.30 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.56 4.07 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 0.00 0.00 0.00 146 L 8.35 3.99 0.00 1.74 1.66 0.95 0.68 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 0.00 147 Q 8.03 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.13 4.34 0.00 2.96 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 7.86 3.98 0.00 3.05 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 0.00 150 L 8.34 4.07 0.00 2.06 1.70 1.05 0.80 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 8.23 3.91 0.00 2.10 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 7.72 4.14 1.21 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 0.00 0.00 153 Q 7.87 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.43 3.94 2.01 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 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.59 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.63 4.05 0.00 2.13 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 2.26 2.28 0.00 157 E 8.60 3.94 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 2.29 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.