NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1224 8.1633 120.7233 55.2245 33.9535 173.8968 2 R 5.0009 8.9357 120.2171 52.4167 34.0840 169.7717 3 V 5.0292 8.3021 120.5196 60.2901 35.8942 173.4447 4 V 4.9167 9.1251 123.7777 61.3806 33.9916 174.1295 5 I 4.9336 8.8773 129.0811 59.7162 39.8438 174.5180 6 Q 5.1873 8.8872 126.5460 53.8482 32.0129 175.1124 7 R 4.3055 8.8723 125.1082 56.2946 31.4420 175.5911 8 V 5.0561 8.8414 118.2322 59.9144 35.6545 176.4583 9 K 4.2939 8.6226 123.2725 58.7132 33.4522 176.6995 10 G 4.5730 7.3435 104.6099 45.8876 0.0000 171.9101 11 A 5.2021 8.0254 117.0280 51.8785 23.4922 175.9090 12 I 4.8159 8.0258 121.9108 59.5003 40.9386 173.9610 13 L 5.0187 9.4612 131.4077 53.4503 43.9076 175.3425 14 S 5.1847 8.8592 119.8329 57.0230 66.8575 173.4938 15 V 4.8065 8.7994 115.7636 59.4450 35.5023 174.6468 16 R 4.5696 8.7195 122.1696 56.7299 30.8735 177.3764 17 K 4.1555 8.2648 126.9611 56.7881 33.4160 178.0007 18 E 3.4693 9.3523 119.0759 57.7279 28.9943 176.4239 *23 N 4.5978 8.7359 112.2919 53.0637 40.1951 175.0118 24 E 4.2675 8.5081 117.2020 54.2092 32.9282 175.9745 25 K 4.1200 8.0431 120.3451 54.9949 29.9722 178.2055 26 E 4.5667 7.4567 125.9173 54.8854 32.2552 174.2220 27 L 4.7084 8.4622 126.6837 54.2386 43.0729 176.0543 28 E 4.6448 9.2835 124.0798 54.2155 32.5452 174.7515 29 I 4.4857 8.6031 128.4327 61.5969 36.9956 175.2806 30 I 4.3709 8.9299 121.8879 61.3060 39.7990 176.4350 31 S 4.8153 7.9952 118.0731 56.3906 66.1964 173.0632 32 E 5.3075 8.9086 123.4574 54.4181 32.5267 175.3138 33 I 4.6446 8.7177 116.8692 58.2610 41.1815 174.7358 34 K 4.6675 9.2717 131.4734 55.6807 30.8661 177.8374 35 N 4.6755 8.1351 123.8649 52.9454 39.5400 174.6927 36 G 4.1953 7.2081 108.7065 46.3399 0.0000 171.1947 37 L 5.3004 8.4070 122.9361 52.8870 45.6519 175.5257 38 I 4.7517 8.5178 121.3323 59.4077 41.4290 174.2919 39 C 4.9536 8.5527 125.2979 58.0310 31.6552 173.4416 40 F 5.1339 8.9698 125.1248 56.5501 39.8110 174.8560 41 L 5.1017 9.3206 127.9041 53.2312 44.3695 175.1639 42 G 4.5572 9.3530 114.7778 44.7776 0.0000 172.2240 43 I 5.0559 8.8855 127.4194 61.0095 39.0518 174.4775 44 H 3.8955 10.3637 129.9495 55.4840 31.4855 177.0770 45 K 4.2914 7.3414 124.5640 56.5972 32.6396 177.1098 46 N 4.9647 7.8081 117.7040 52.3851 38.7269 175.1717 47 D 4.7511 7.6469 117.3288 53.8485 42.4312 176.5675 48 T 4.7463 9.0318 111.4463 58.9468 71.7044 174.9445 49 W 4.7041 8.8469 130.7423 59.9508 30.6584 177.8929 50 E 3.9577 8.0809 118.4117 59.8027 28.8452 178.6710 51 D 4.3652 7.9749 118.8458 57.3048 40.8739 178.5639 52 A 3.7725 8.0022 120.6639 55.1508 18.2257 179.5481 53 L 3.4412 6.9919 117.2880 57.8239 41.7882 178.9769 54 Y 3.9192 7.7578 119.3094 60.7300 38.7329 178.1461 55 I 3.6069 8.0211 120.8567 64.7076 37.3076 178.3303 56 I 2.9899 7.4052 120.3347 64.2713 36.6130 178.5100 57 R 3.7514 8.1434 119.7600 58.9705 29.7527 178.7316 58 K 3.8411 7.6315 117.7517 59.3585 32.0668 178.5886 59 C 4.0712 7.6164 115.3335 63.5543 28.2725 176.4580 60 L 4.2092 8.0525 118.8570 56.7221 41.3497 177.6748 61 N 4.9101 7.4711 114.0749 53.1107 41.1137 175.2132 62 L 4.1623 8.6131 119.2982 55.1015 42.5916 177.0555 63 R 4.8519 8.2766 121.6081 55.3140 28.6596 176.7301 64 L 4.8482 7.9881 115.4135 54.3758 42.5519 176.4963 65 W 4.8844 8.1697 119.1298 54.8790 32.5403 173.8364 66 N 5.3315 8.5582 116.0359 51.6480 41.4124 174.0433 67 N 4.9671 9.3508 116.6064 53.5848 43.9392 175.2673 68 D 4.1176 8.9346 120.6878 54.9603 41.3690 174.7687 69 N 4.3363 9.4621 127.6328 57.9031 38.8943 175.7187 70 K 4.1558 8.3926 120.1586 54.6205 32.3360 178.6350 71 T 4.6303 8.1644 112.6955 58.9837 71.6171 173.5953 72 W 4.1470 8.1388 118.8769 57.1326 27.1710 175.0419 73 D 4.8571 8.9024 119.5646 55.3954 42.5172 176.8677 74 K 4.8614 8.1507 116.9030 54.5949 35.6353 175.4702 75 N 5.6743 8.8288 120.6156 50.2617 40.1655 176.1224 76 V 3.4663 8.5911 117.3431 64.4717 31.4874 178.2754 77 K 3.8904 8.2120 119.1924 58.1310 32.1923 177.9904 78 D 4.3550 8.0405 118.3151 56.3658 40.7855 177.0926 79 L 3.9942 7.2845 116.3813 53.1806 42.1708 176.2078 80 N 4.3340 7.4770 113.9276 53.4184 35.9374 173.1258 81 Y 5.1083 7.7399 114.2302 56.7015 40.8591 177.4588 82 E 4.7556 8.6617 121.7577 55.6516 32.2153 175.1274 83 L 5.1952 8.9603 119.9676 53.0357 46.1431 175.8395 84 L 4.9045 8.8404 125.5668 53.6273 43.9721 175.0648 85 I 4.5560 8.7094 129.1652 59.7928 38.9584 175.1089 86 V 4.5691 8.8882 127.8847 60.7686 34.2230 174.5910 87 S 4.8541 8.9372 123.2523 58.7272 62.4366 173.9983 88 Q 4.4570 9.5256 128.6188 54.4053 29.6078 174.8757 89 F 4.6352 8.6401 120.3411 59.2948 38.8461 178.2339 90 T 3.5854 5.8569 105.9472 62.7344 68.1388 175.1467 91 L 4.1608 8.1421 122.4209 55.9047 42.1814 177.3082 92 F 4.6794 8.0533 115.1440 56.7287 39.6791 175.4532 93 G 4.1532 7.6458 109.7633 45.9347 0.0000 172.7102 94 N 4.6412 9.7419 126.6672 53.1438 39.3549 175.3104 95 T 4.4632 8.4229 118.0139 61.9647 69.5525 176.0719 96 K 4.0632 9.3454 128.6275 58.0687 31.8392 181.2288 97 K 4.5030 7.7718 120.6854 53.1583 34.2450 176.4982 98 G 4.2308 8.7935 114.1432 44.6071 0.0000 173.3735 99 N 4.4132 8.6927 120.9777 55.5617 39.0552 176.4676 100 K 4.2757 7.8558 120.2351 53.0584 32.6223 179.5266 101 P 4.7827 0.0000 0.0000 60.6944 32.8937 174.5845 102 D 4.1750 8.2796 119.9456 52.5657 43.0704 176.2216 103 F 5.1302 7.7522 123.5532 57.6146 39.3987 177.0532 104 H 4.2784 7.6335 119.1013 58.9975 28.6021 175.9168 105 L 4.1925 7.9841 116.3689 54.7022 41.8909 176.0830 106 A 4.3152 8.3666 121.9346 51.3491 19.5642 176.9145 107 K 4.3396 7.9457 118.8784 55.2198 33.7424 176.2165 108 E 4.1306 8.5560 124.8685 55.7948 30.5569 176.1660 109 P 4.5335 0.0000 0.0000 65.3562 31.6255 178.7649 110 N 4.5108 8.6195 115.8291 55.9921 38.6402 177.3398 111 E 4.0773 8.8382 120.1660 59.0755 29.5585 179.0469 112 A 4.1404 8.4428 121.2737 55.1923 18.5777 179.2128 113 L 2.4535 7.5209 118.2145 58.0131 42.0472 179.0904 114 I 3.6941 7.3024 117.3226 63.9963 38.0231 177.5091 115 F 4.4745 8.1351 121.1203 61.5874 39.2093 176.5341 116 Y 4.0176 8.6117 119.4832 60.6974 38.6227 177.3383 117 N 4.2802 8.5123 119.9171 57.0636 38.6943 177.7694 118 K 3.8811 8.0418 124.8049 60.1225 31.5626 180.7827 119 I 3.8064 7.5113 120.6102 64.2683 36.8463 178.3061 120 I 3.8364 7.5902 119.5947 64.7361 37.2416 177.6961 121 D 4.5535 8.6849 119.5823 57.5229 40.7325 178.6243 122 E 4.0083 8.5032 119.6093 59.4381 29.8101 178.4888 123 F 4.0704 9.0389 119.0087 60.9388 38.5663 177.9079 124 K 4.2604 8.1490 117.6503 58.8806 31.8506 179.0707 125 K 4.1344 8.0175 118.6393 58.2924 32.2391 177.7458 126 Q 4.5977 7.5714 114.6336 55.5897 29.9285 174.4613 127 Y 5.0697 8.2944 123.4811 57.2441 38.7851 175.7767 128 N 4.9384 7.9216 115.2302 50.8783 41.2999 174.1147 129 D 4.2695 8.7867 124.4287 57.4298 41.3536 176.6176 130 D 4.6612 8.7837 116.3058 54.4537 40.9435 176.7337 131 K 4.3344 7.5551 118.9173 56.1716 33.8148 175.6619 132 I 4.6730 7.6427 121.1518 59.6696 38.6087 175.0737 133 K 4.8095 9.2325 127.3460 54.7021 35.1387 175.5566 134 I 5.1997 7.4747 113.8352 59.1344 40.9557 175.1892 135 G 4.0855 7.9683 107.4287 45.2334 0.0000 172.2268 136 K 4.6075 8.4114 121.5857 54.0416 33.1536 176.3770 137 F 3.8953 9.0545 128.9856 59.8587 40.1594 174.9350 138 G 3.6662 7.3544 114.9945 46.5921 0.0000 172.1740 139 N 5.0640 7.2990 112.2348 50.8521 43.1185 174.5157 140 Y 3.9079 8.5206 121.8326 58.1317 39.4553 175.1598 141 M 5.1375 7.2624 124.8941 53.7791 37.0030 174.0653 142 N 4.9085 9.4634 119.8670 52.1123 42.2338 173.1215 143 I 5.2916 8.2860 126.7433 58.6049 40.2868 174.9387 144 D 4.6985 8.7321 127.7604 53.6926 42.1128 175.6270 145 V 4.5772 8.4158 122.9837 61.4886 34.5939 175.4379 146 T 4.4589 8.2910 124.9365 61.9669 68.7573 172.7439 147 N 4.7580 8.5360 123.4532 53.1032 39.3776 175.3723 148 D 4.4780 9.9275 125.2407 50.3288 39.2816 175.2144 149 G 4.2811 8.2564 117.5678 45.1999 0.0000 169.4734 150 P 4.3622 0.0000 0.0000 61.5835 32.4838 175.6628 151 V 4.4411 8.1187 117.6386 61.5120 34.2652 174.0146 152 T 5.1222 8.6880 124.1892 61.8367 71.3938 173.5046 153 I 4.6418 9.1402 127.1681 59.5453 40.8208 173.7077 154 Y 5.2541 8.7442 127.3913 55.9504 41.2652 174.7747 155 I 4.3527 7.6541 125.6896 59.5725 41.6291 173.5594 156 D 4.8834 8.3502 127.3576 52.4640 42.2975 176.8019 157 T 3.8550 9.2747 118.6071 64.9554 69.0222 176.5274 158 H 4.6763 8.2875 116.2870 56.4830 27.7957 175.3419 159 D 4.8066 7.9856 119.7816 54.6552 40.9650 176.2706 160 I 4.5096 7.6559 117.2078 59.3986 39.7006 178.8885 161 N 4.3863 8.2139 114.1381 55.1113 36.5676 174.3804 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 5.12 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.94 5.00 0.00 1.39 1.69 0.00 2.21 0.00 0.00 2.88 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 3 V 8.30 5.03 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 0.68 0.00 0.00 1.03 0.00 0.00 4 V 9.13 4.92 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 1.29 0.00 0.00 1.11 0.00 0.00 5 I 8.88 4.93 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 1.24 0.69 0.90 0.00 0.00 6 Q 8.89 5.19 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 7 R 8.87 4.31 0.00 1.62 1.61 0.00 2.21 0.00 0.00 2.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.00 8 V 8.84 5.06 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 9 K 8.62 4.29 0.00 1.70 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.24 7.81 10 G 7.34 4.57 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 0.00 11 A 8.03 5.20 1.18 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 12 I 8.03 4.82 1.88 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 1.47 1.03 0.92 0.00 0.00 13 L 9.46 5.02 0.00 1.66 1.54 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.86 5.18 0.00 3.95 3.91 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 15 V 8.80 4.81 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 0.86 0.00 0.00 1.02 0.00 0.00 16 R 8.72 4.57 0.00 1.71 1.84 0.00 3.10 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 17 K 8.26 4.16 0.00 1.63 1.58 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.25 7.81 18 E 9.35 3.47 0.00 2.09 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 2.14 1.85 0.00 *23 N 8.74 4.60 0.00 2.76 2.68 0.00 0.00 6.24 7.66 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 24 E 8.51 4.27 0.00 1.93 1.60 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 2.11 1.82 0.00 25 K 8.04 4.12 0.00 1.85 2.05 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 0.99 7.81 26 E 7.46 4.57 0.00 2.25 1.80 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 2.26 2.38 0.00 27 L 8.46 4.71 0.00 1.60 1.62 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.28 4.64 0.00 1.97 1.78 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 2.20 2.26 0.00 29 I 8.60 4.49 1.88 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 1.42 0.67 0.92 0.00 0.00 30 I 8.93 4.37 1.90 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 1.26 0.66 0.98 0.00 0.00 31 S 8.00 4.82 0.00 3.76 3.76 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 32 E 8.91 5.31 0.00 1.79 1.80 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 2.19 2.20 0.00 33 I 8.72 4.64 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.88 0.00 0.00 34 K 9.27 4.67 0.00 1.74 1.31 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 35 N 8.14 4.68 0.00 2.23 1.42 0.00 0.00 7.42 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 36 G 7.21 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 0.00 0.00 0.00 0.00 37 L 8.41 5.30 0.00 1.64 1.56 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.52 4.75 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 1.64 0.82 0.00 0.00 39 C 8.55 4.95 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 40 F 8.97 5.13 0.00 3.00 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 41 L 9.32 5.10 0.00 1.88 1.73 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.35 4.56 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 0.00 0.00 0.00 43 I 8.89 5.06 2.21 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.42 1.21 0.00 0.00 44 H 10.36 3.90 0.00 2.60 3.39 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.34 4.29 0.00 1.78 1.60 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.35 7.81 46 N 7.81 4.96 0.00 2.70 2.80 0.00 0.00 6.90 8.06 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 47 D 7.65 4.75 0.00 2.74 2.65 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 48 T 9.03 4.75 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 49 W 8.85 4.70 0.00 3.56 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 50 E 8.08 3.96 0.00 2.07 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 2.42 2.53 0.00 51 D 7.97 4.37 0.00 2.77 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 52 A 8.00 3.77 0.51 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 6.99 3.44 0.00 1.60 1.54 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.76 3.92 0.00 3.02 3.05 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 55 I 8.02 3.61 1.89 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 1.70 1.11 0.95 0.00 0.00 56 I 7.41 2.99 1.48 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.31 0.10 0.00 0.00 57 R 8.14 3.75 0.00 1.78 1.63 0.00 3.02 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 1.49 1.55 0.00 58 K 7.63 3.84 0.00 1.61 1.66 0.00 1.58 0.00 0.00 1.35 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.72 1.09 7.81 59 C 7.62 4.07 0.00 3.36 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.05 4.21 0.00 1.70 1.66 0.99 1.05 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 61 N 7.47 4.91 0.00 2.90 2.77 0.00 0.00 7.00 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.61 4.16 0.00 1.67 1.60 0.88 0.73 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 63 R 8.28 4.85 0.00 1.99 1.95 0.00 3.15 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 64 L 7.99 4.85 0.00 0.89 1.48 0.78 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.17 4.88 0.00 3.47 2.88 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 66 N 8.56 5.33 0.00 2.60 2.81 0.00 0.00 6.68 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 67 N 9.35 4.97 0.00 2.68 2.64 0.00 0.00 7.65 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 68 D 8.93 4.12 0.00 2.71 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 0.00 0.00 0.00 69 N 9.46 4.34 0.00 2.71 2.89 0.00 0.00 6.68 7.61 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 70 K 8.39 4.16 0.00 1.68 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.25 7.81 71 T 8.16 4.63 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 1.17 0.00 0.00 72 W 8.14 4.15 0.00 3.36 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.90 4.86 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.86 0.00 1.77 1.64 0.00 1.64 0.00 0.00 2.03 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.33 7.81 75 N 8.83 5.67 0.00 2.98 3.11 0.00 0.00 6.62 8.80 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 76 V 8.59 3.47 2.43 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 0.79 0.00 0.00 1.15 0.00 0.00 77 K 8.21 3.89 0.00 1.59 1.58 0.00 1.42 0.00 0.00 1.36 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 1.11 7.81 78 D 8.04 4.36 0.00 2.67 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 79 L 7.28 3.99 0.00 0.27 0.13 0.21 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.48 4.33 0.00 2.73 2.82 0.00 0.00 7.19 7.46 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 81 Y 7.74 5.11 0.00 2.73 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 82 E 8.66 4.76 0.00 1.94 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 2.27 2.30 0.00 83 L 8.96 5.20 0.00 1.37 1.33 1.06 0.40 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 84 L 8.84 4.90 0.00 1.67 1.44 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 4.56 1.76 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.84 0.00 0.00 86 V 8.89 4.57 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 1.18 0.00 0.00 0.94 0.00 0.00 87 S 8.94 4.85 0.00 3.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.53 4.46 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 89 F 8.64 4.64 0.00 3.44 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 90 T 5.86 3.59 3.84 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 0.00 0.00 -0.13 0.00 0.00 91 L 8.14 4.16 0.00 1.42 1.35 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.05 4.68 0.00 3.28 3.20 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 0.00 93 G 7.65 4.15 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 0.00 0.00 0.00 94 N 9.74 4.64 0.00 2.73 2.69 0.00 0.00 6.30 7.10 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 95 T 8.42 4.46 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 1.20 0.00 0.00 96 K 9.35 4.06 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.25 7.81 97 K 7.77 4.50 0.00 1.72 1.58 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 0.96 7.81 98 G 8.79 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 0.00 0.00 0.00 0.00 99 N 8.69 4.41 0.00 2.71 2.88 0.00 0.00 6.87 7.61 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 0.00 100 K 7.86 4.28 0.00 1.77 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 0.99 7.81 101 P 0.00 4.78 0.00 2.13 2.05 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 102 D 8.28 4.17 0.00 2.49 2.33 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 0.00 103 F 7.75 5.13 0.00 3.32 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 0.00 104 H 7.63 4.28 0.00 3.29 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.98 4.19 0.00 1.77 1.52 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.37 4.32 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.95 4.34 0.00 2.05 1.77 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.64 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.47 7.81 108 E 8.56 4.13 0.00 2.05 1.80 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 2.37 2.29 0.00 109 P 0.00 4.53 0.00 2.25 2.05 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 110 N 8.62 4.51 0.00 3.05 2.88 0.00 0.00 6.86 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 0.00 111 E 8.84 4.08 0.00 2.20 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 0.00 2.33 2.47 0.00 112 A 8.44 4.14 1.65 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 0.00 113 L 7.52 2.45 0.00 1.08 1.65 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.30 3.69 1.89 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 1.43 1.12 1.07 0.00 0.00 115 F 8.14 4.47 0.00 3.33 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 0.00 116 Y 8.61 4.02 0.00 3.15 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 0.00 117 N 8.51 4.28 0.00 2.98 2.89 0.00 0.00 7.16 6.96 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 0.00 118 K 8.04 3.88 0.00 1.77 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 119 I 7.51 3.81 1.88 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.36 0.75 0.00 0.00 120 I 7.59 3.84 1.86 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.01 0.84 0.00 0.00 121 D 8.68 4.55 0.00 3.02 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 0.00 122 E 8.50 4.01 0.00 2.57 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 2.64 2.35 0.00 123 F 9.04 4.07 0.00 3.17 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 0.00 124 K 8.15 4.26 0.00 2.07 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 125 K 8.02 4.13 0.00 1.82 2.14 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 7.57 4.60 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.45 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 127 Y 8.29 5.07 0.00 2.96 2.24 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 0.00 128 N 7.92 4.94 0.00 2.36 1.65 0.00 0.00 6.53 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 0.00 129 D 8.79 4.27 0.00 2.63 2.65 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 0.00 130 D 8.78 4.66 0.00 2.56 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 0.00 131 K 7.56 4.33 0.00 0.98 1.68 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 0.62 7.81 132 I 7.64 4.67 1.82 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 1.41 0.90 0.66 0.00 0.00 133 K 9.23 4.81 0.00 1.64 1.66 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.38 7.81 134 I 7.47 5.20 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.57 0.88 0.00 0.00 135 G 7.97 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 0.00 0.00 0.00 136 K 8.41 4.61 0.00 1.76 1.76 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.33 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 137 F 9.05 3.90 0.00 2.79 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 0.00 138 G 7.35 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 0.00 139 N 7.30 5.06 0.00 2.94 2.71 0.00 0.00 7.15 7.46 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 0.00 140 Y 8.52 3.91 0.00 3.00 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 0.00 141 M 7.26 5.14 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 142 N 9.46 4.91 0.00 3.04 2.86 0.00 0.00 7.13 7.21 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 0.00 143 I 8.29 5.29 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.94 0.95 0.00 0.00 144 D 8.73 4.70 0.00 2.62 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 0.00 145 V 8.42 4.58 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 1.01 0.00 0.00 146 T 8.29 4.46 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 1.21 0.00 0.00 147 N 8.54 4.76 0.00 2.62 2.77 0.00 0.00 6.98 8.06 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 0.00 148 D 9.93 4.48 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 0.00 149 G 8.26 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 0.00 0.00 0.00 0.00 150 P 0.00 4.36 0.00 2.20 2.08 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 151 V 8.12 4.44 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 1.23 0.00 0.00 0.90 0.00 0.00 152 T 8.69 5.12 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 153 I 9.14 4.64 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 1.11 1.00 0.90 0.00 0.00 154 Y 8.74 5.25 0.00 2.87 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 0.00 155 I 7.65 4.35 1.78 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 1.10 0.87 1.03 0.00 0.00 156 D 8.35 4.88 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 9.27 3.85 4.17 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 1.41 0.00 0.00 158 H 8.29 4.68 0.00 3.29 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.99 4.81 0.00 2.74 2.65 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 0.00 160 I 7.66 4.51 1.87 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 1.35 0.52 0.91 0.00 0.00 161 N 8.21 4.39 0.00 2.73 2.69 0.00 0.00 5.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.