NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5257 8.2629 120.6155 55.7411 33.8770 174.3704 3 T 4.9941 8.6470 120.1767 58.7260 71.4137 166.5057 4 E 4.6170 10.0125 128.1036 53.8909 33.1240 174.2691 5 T 4.9030 8.0023 122.0522 61.9564 70.8015 173.7698 6 F 4.6072 8.9154 122.6335 55.4533 43.6119 173.4185 7 A 4.7196 8.2362 122.4671 50.3576 20.1708 177.3033 8 F 4.7635 8.4040 121.4471 57.7951 39.8386 175.7295 9 Q 4.4082 8.9641 120.7446 54.8314 30.1714 176.7163 10 A 4.0218 8.7112 120.9017 55.9266 18.2372 179.9618 11 E 3.9372 8.1023 116.2749 59.3357 29.5122 179.4974 12 I 3.4103 7.5088 120.1917 64.1105 37.0829 177.8334 13 N 4.0954 8.0576 116.8684 56.6651 38.3194 177.1657 14 Q 3.9280 7.8597 118.8987 58.8223 28.7641 178.7454 15 L 3.8504 7.6065 120.8184 58.4069 42.0499 178.9743 16 M 3.8591 8.0530 118.9451 58.3690 31.8300 178.8143 17 S 4.0676 8.3070 115.7350 61.4722 63.0259 176.5019 18 L 3.8717 8.1384 123.1122 58.3987 41.7055 179.0475 19 I 3.8346 8.2859 121.2703 64.9509 37.0735 179.0648 20 I 4.0251 8.0180 120.7611 64.4028 35.5425 180.2169 21 N 5.1725 8.1014 119.2420 53.0840 37.6648 174.9947 22 T 4.5292 7.5910 112.4275 60.5425 70.4988 177.5215 *23 F 4.5193 8.4998 123.3209 55.8494 38.5102 174.2528 24 Y 4.8970 8.3172 126.5910 55.1069 41.7383 174.7047 25 S 4.2676 7.5961 120.5455 59.5177 64.8344 174.4996 26 N 4.7549 6.3923 121.5210 52.3217 37.4468 175.4366 27 K 4.4555 7.8435 120.7581 58.8421 32.7102 178.4025 28 E 4.2574 8.4719 117.6779 58.3283 29.4385 178.6621 29 I 3.7672 7.6509 113.6589 63.6896 37.3631 177.8077 30 F 4.6516 8.0904 117.9107 59.3239 37.2879 177.3474 31 L 3.0946 6.0271 120.2653 57.3364 41.6946 178.6759 32 R 3.7028 7.5933 118.1500 59.5562 29.9071 178.1653 33 E 3.8853 7.9932 118.1153 59.4485 29.4466 179.4046 34 L 4.0261 8.1119 119.3540 57.6798 41.5775 179.6361 35 I 3.6595 7.9668 120.2690 64.0969 36.9122 178.1541 36 S 4.0341 8.2597 114.4250 61.6698 62.1874 175.9516 37 N 4.2565 8.0337 118.8633 56.6383 38.3423 177.5874 38 S 4.2810 8.1467 117.7457 60.8962 62.8054 176.7982 39 S 4.0434 8.2024 116.0074 61.5890 62.3722 175.7393 40 D 4.3145 8.3685 121.7191 57.5611 40.5577 178.9344 41 A 3.9172 7.9216 121.0752 55.0382 18.3134 179.5058 42 C 3.6476 7.6659 115.1712 62.7978 27.9428 175.6256 43 D 4.3803 7.6647 121.8632 56.6434 40.2958 179.3819 44 K 3.6827 7.4363 117.8491 59.5921 31.9090 179.2116 45 I 3.7713 7.3881 116.2598 63.2297 38.3322 177.4225 46 R 4.0895 7.5824 121.4258 59.0842 29.7432 177.7328 47 Y 4.4799 7.9446 116.9385 61.6039 37.8332 178.9624 48 Q 4.1796 8.0386 119.1200 58.9082 28.7503 178.9470 49 S 4.7927 7.8676 115.9656 60.6533 62.8085 176.5448 50 L 4.1652 7.4490 120.9821 57.7105 41.3709 179.2653 51 T 4.3401 7.8204 114.6113 65.2372 69.4616 174.9878 52 N 4.8374 8.3851 124.2949 50.5468 40.2474 174.8173 53 Q 4.0590 8.8468 124.7553 59.4300 29.1111 178.2826 54 S 4.1738 8.2645 114.6208 61.5240 62.4345 176.3691 55 V 3.7885 7.8736 121.0591 64.3060 30.8697 177.4763 56 L 4.2084 7.8554 118.5423 53.6191 42.0370 178.6704 57 G 3.7681 8.8167 109.1276 47.5601 0.0000 177.4438 58 D 4.5077 8.6484 119.3242 50.9792 38.7485 173.5463 *61 H 4.5430 8.0477 120.9619 55.3391 29.9564 172.6229 62 L 4.2220 8.3561 127.6716 54.0364 42.0227 176.7513 63 R 4.8316 8.6793 119.7472 54.9338 33.4084 173.8876 64 I 4.9560 8.6628 121.2256 59.6334 40.4646 174.7157 65 R 5.0319 9.5071 126.2305 54.3156 33.7614 174.7497 66 V 4.6500 8.7580 124.0826 61.5666 33.5051 174.6266 67 I 4.3942 9.0310 131.2882 58.8951 38.7944 172.6956 68 P 4.9293 0.0000 0.0000 61.9048 32.6409 174.8921 69 D 4.7446 9.3593 127.5847 53.2925 42.3794 177.7746 70 R 3.8985 8.9434 127.5950 60.1714 29.9747 176.3353 71 V 3.8167 7.9282 114.6414 63.6780 31.5586 178.8448 72 N 4.5363 7.9855 116.4710 53.3975 39.4045 175.6763 73 K 3.9147 7.7229 118.3576 56.1561 29.6922 180.3840 74 T 5.2036 7.6999 109.8968 60.1630 72.5397 173.3943 75 L 5.0437 8.8749 125.6719 53.6701 44.9477 174.9431 76 T 5.0763 8.7930 122.8216 61.7247 71.6378 173.1744 77 V 4.7699 8.6375 125.9498 61.0937 34.0831 173.8623 78 E 5.2670 9.4615 128.9947 54.4904 33.0638 173.8357 79 D 5.4066 9.0370 124.8065 51.2647 43.8134 175.1830 80 S 5.0278 7.5754 111.7131 57.5549 63.0370 175.5758 81 G 3.7114 8.3884 112.3183 46.1767 0.0000 174.5634 82 I 3.5069 8.0052 118.4668 61.7843 38.0863 178.2005 83 G 3.9646 7.9381 108.6894 43.6072 0.0000 172.0413 84 M 4.8333 7.7846 116.3470 52.9213 35.0030 176.9620 85 T 4.2278 8.8004 113.9859 60.6101 71.3757 175.5246 86 K 3.3222 8.1766 120.9794 59.8288 31.7930 178.1588 87 A 3.9188 7.7906 119.9290 55.3673 18.2736 179.1005 88 D 4.2205 8.4900 117.5833 57.4189 40.8274 179.0849 89 L 3.7405 7.9478 119.5840 57.5905 41.5349 179.7649 90 V 3.4847 7.4688 117.8153 66.0918 31.4883 177.9109 91 N 4.3241 8.2249 116.3554 56.2331 37.6488 177.3084 92 N 4.1848 8.3816 118.2349 56.3925 38.4902 177.4243 93 L 4.1228 7.4972 118.5648 56.8796 41.8228 177.4712 94 G 4.1805 8.1294 103.6176 46.7650 0.0000 175.7732 95 T 4.1081 7.6105 116.1286 66.0701 68.9214 177.1595 96 I 3.7041 8.2624 120.7095 64.1880 37.4780 178.3515 97 A 4.1692 7.5773 118.8389 54.5565 17.9945 179.5102 98 R 3.8572 7.7372 118.1850 59.8693 30.2180 178.9114 99 S 4.3229 8.1604 113.5198 61.0791 63.1704 176.3368 100 G 3.7693 8.1523 109.3122 48.0580 0.0000 175.6465 101 T 4.0116 8.3010 113.1052 64.1266 68.9510 176.6098 102 K 3.8594 8.1176 122.4865 59.4820 32.2586 179.0396 103 S 4.4212 8.1542 116.7427 60.8660 62.6292 176.4574 104 F 2.8807 7.6975 123.1579 61.2226 39.0238 177.1945 105 M 3.5352 7.8700 118.2433 58.0311 31.4643 178.5292 106 E 3.8270 7.8561 118.2110 59.3868 29.5841 179.2861 107 A 4.0577 7.6920 120.6612 54.9785 18.3547 179.6335 108 L 3.8119 7.7935 120.2061 58.4898 41.5137 179.6870 109 E 4.2925 8.1652 114.6813 58.8412 29.7201 178.6132 110 A 4.6940 7.3037 118.8203 52.8621 19.4756 177.5643 111 G 3.9711 7.9777 104.8139 45.4046 0.0000 174.4126 112 G 3.8956 8.0557 109.2763 45.1748 0.0000 172.3113 113 D 5.0011 8.3158 117.3294 51.7849 43.9320 175.9246 114 M 4.2238 8.6545 124.8778 59.2371 31.5585 178.4028 115 S 4.2710 8.3661 112.2394 60.7710 62.7746 174.9676 116 M 4.3941 8.6006 118.6873 55.5551 31.3790 177.3982 117 I 2.4658 7.6147 121.6621 64.2651 37.8269 177.6901 118 G 3.6246 7.9553 107.7727 47.9628 0.0000 174.6233 119 Q 4.0611 8.0435 116.4518 57.2544 27.6132 176.4615 120 F 4.5044 8.2690 117.6659 56.9978 39.2258 176.9860 121 G 3.7535 7.9045 108.1864 46.1361 0.0000 174.7098 122 V 4.5665 7.1315 111.2607 60.6751 32.6153 178.3032 123 G 3.6382 8.2057 111.7156 48.3021 0.0000 176.1549 124 F 3.9453 8.5311 121.8100 61.8244 39.2743 176.5429 125 Y 4.2400 8.0701 115.0743 59.9390 37.6491 178.1380 126 S 4.2181 8.0976 115.3982 60.9776 62.9763 176.0175 127 A 3.7661 7.7705 125.8972 55.5147 18.0276 178.6727 128 Y 4.5984 7.4736 109.9141 59.0253 38.0301 177.1728 129 L 4.2159 8.1695 120.8765 56.8122 42.0507 178.1513 130 V 4.1693 7.5109 108.9752 60.5364 33.3183 175.0112 131 A 5.0442 7.3714 122.8460 50.0798 21.6103 176.4986 132 D 4.5836 8.4713 121.4613 54.9430 40.5077 177.0939 133 R 4.9020 7.7104 115.1520 54.2019 33.0838 174.3300 134 V 4.9316 8.5730 120.5614 61.4629 34.8854 173.9516 135 T 5.2367 8.8679 123.8094 61.7908 72.0458 173.1043 136 V 4.8458 9.1952 125.5738 61.2473 34.2857 174.0967 137 V 5.0540 9.2364 128.9257 61.2387 33.9430 174.5887 138 S 5.0545 9.0277 121.1095 56.7595 67.3830 173.0132 139 K 4.6461 9.3200 122.1655 55.2957 35.2704 174.3497 140 N 5.4640 8.6218 125.7790 50.8866 41.2878 175.1098 141 N 4.3248 8.9612 121.2927 56.5400 38.7653 175.8185 142 E 4.3628 8.7729 115.5163 56.3705 29.4996 174.8818 143 D 4.6423 7.6066 117.4840 53.2017 44.5555 173.9292 144 D 4.6426 8.5501 121.4125 53.1864 41.8707 175.9085 145 A 4.5213 8.2417 122.1870 52.3535 19.4893 176.3725 146 Y 5.1638 8.9204 119.4161 56.4119 42.5943 174.7398 147 T 5.2969 9.2693 117.8427 61.7287 72.0732 172.8013 148 W 5.3682 9.7477 135.0000 56.6744 33.1132 175.3938 149 E 4.7537 8.4155 123.8527 55.3532 33.9422 172.7246 150 S 4.8231 6.8755 121.4202 54.4086 64.9863 173.7495 *154 G 4.2055 7.9644 106.2745 46.6996 0.0000 171.5510 155 T 5.2766 7.7843 108.5806 59.6056 73.5055 173.5819 156 F 5.1164 8.3392 115.8721 55.3676 41.6899 173.5636 157 T 5.1507 8.8573 110.8087 60.0867 71.9407 173.2823 158 V 5.0537 9.1586 123.2262 61.7457 34.4981 174.2598 159 T 5.3509 9.1581 125.0790 61.5414 71.9708 173.5866 160 S 3.9226 8.6955 121.6269 58.2256 63.6500 174.1150 161 T 4.4268 8.3969 116.0845 58.4053 69.6896 171.5820 162 P 4.1189 0.0000 0.0000 63.5180 31.8940 176.7150 163 D 4.5034 8.2013 121.9684 53.5339 41.7321 175.0070 164 C 4.3036 8.3959 123.4774 61.6825 28.5809 174.9667 165 D 4.4337 7.4392 116.8862 55.5470 40.6544 176.4493 166 L 4.4350 7.3481 123.9927 53.7221 40.9481 176.3364 167 K 4.1619 8.3545 126.5403 56.7644 32.5964 176.7563 168 R 4.5030 7.5152 114.3891 55.7940 33.2992 172.9304 169 G 4.2577 7.4940 111.2608 44.9915 0.0000 171.9406 170 T 5.0742 8.4451 115.5308 61.8215 73.2827 172.9882 171 R 4.8342 9.7675 127.1007 54.6399 33.0051 174.1112 172 I 4.8966 8.7670 127.8520 59.6428 39.9007 174.7580 173 V 4.5387 8.9402 128.4603 61.2403 33.4290 174.3258 174 L 4.6921 8.8187 131.8774 54.0706 43.4813 176.6325 *175 H 4.8496 8.8666 124.2196 54.2248 28.2356 171.1884 176 L 4.4270 8.2065 124.8699 53.7303 42.2558 178.0936 177 K 4.2001 9.1275 122.8858 56.0647 32.7006 178.0969 178 E 3.5421 8.8934 121.9301 59.3768 29.4174 177.9204 179 D 4.6909 8.0138 115.0009 53.6908 40.2126 176.5952 180 Q 4.7068 8.6570 120.2038 56.0110 29.4114 177.5949 181 Q 4.0880 8.0617 119.8932 58.2818 28.9513 178.2312 182 E 4.0159 8.0775 115.9793 59.2686 29.3377 177.8440 183 Y 4.6856 7.3095 115.4236 58.4610 37.6664 175.9040 184 L 4.5138 7.8150 120.8506 55.1634 43.0619 177.1716 185 E 4.5459 7.8114 120.6278 55.7304 32.1978 177.7366 186 E 4.0782 8.7843 123.5646 61.9375 29.9465 179.7670 187 R 4.1037 7.9197 121.3296 61.2729 29.6219 180.2988 188 R 4.1151 8.0507 119.4174 59.4708 29.9543 178.4253 189 L 4.1423 8.0017 120.4360 58.1366 41.6162 179.9958 190 K 3.9006 8.5078 124.0782 60.0483 31.3961 180.2039 191 D 4.5793 7.8317 118.8490 57.5616 40.7272 178.8985 192 L 4.1322 7.8074 118.4090 57.9460 41.5348 179.7782 193 I 3.7810 7.9210 122.1212 64.9932 35.6313 179.1646 194 K 4.0951 7.9374 123.2694 58.8290 31.2866 180.9336 195 K 4.3313 7.5570 116.1058 59.7914 31.9481 177.3347 196 H 4.8327 7.6068 112.9707 55.6768 31.1093 172.5593 197 S 4.0352 7.9022 118.4479 57.6174 61.7857 177.6159 *200 I 3.9036 7.6680 122.5274 61.0628 37.7569 175.5350 201 G 3.7305 8.3746 114.3504 45.3757 0.0000 172.1173 202 Y 4.7773 7.2049 116.1299 55.2204 41.8593 174.2615 203 D 4.5750 8.6649 122.2412 54.5816 42.7175 174.9003 204 I 4.8511 8.3984 126.1862 59.8841 39.0867 174.5184 205 E 4.6300 9.2339 127.9013 54.5453 31.8860 175.1703 206 L 4.9349 8.4871 125.4626 53.7247 43.9547 175.8938 207 M 4.3032 8.4609 125.4092 55.4483 31.7365 176.3185 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 2 M 8.26 4.53 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 3 T 8.65 4.99 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 4 E 10.01 4.62 0.00 2.00 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 1.47 1.90 0.00 5 T 8.00 4.90 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 1.09 0.00 0.00 6 F 8.92 4.61 0.00 1.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.24 4.72 1.20 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 8 F 8.40 4.76 0.00 3.29 2.99 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 9 Q 8.96 4.41 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 10 A 8.71 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.10 3.94 0.00 2.05 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 2.38 2.43 0.00 12 I 7.51 3.41 1.53 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 1.52 1.16 0.06 0.00 0.00 13 N 8.06 4.10 0.00 2.93 2.85 0.00 0.00 7.11 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.86 3.93 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 15 L 7.61 3.85 0.00 1.77 1.57 1.05 0.78 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 16 M 8.05 3.86 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 17 S 8.31 4.07 0.00 3.94 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 18 L 8.14 3.87 0.00 1.90 1.75 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.29 3.83 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 1.11 0.00 0.00 20 I 8.02 4.03 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 1.58 0.62 0.91 0.00 0.00 21 N 8.10 5.17 0.00 2.82 2.90 0.00 0.00 6.88 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 22 T 7.59 4.53 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 *23 F 8.50 4.52 0.00 2.29 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 0.00 0.00 0.00 24 Y 8.32 4.90 0.00 2.88 2.87 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 0.00 0.00 0.00 25 S 7.60 4.27 0.00 3.88 3.82 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 26 N 6.39 4.75 0.00 2.63 2.86 0.00 0.00 7.25 6.75 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 27 K 7.84 4.46 0.00 2.02 1.94 0.00 1.83 0.00 0.00 2.13 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.69 1.83 7.81 28 E 8.47 4.26 0.00 2.35 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 29 I 7.65 3.77 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 2.04 0.90 1.10 0.00 0.00 30 F 8.09 4.65 0.00 3.21 3.31 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 0.00 31 L 6.03 3.09 0.00 0.27 1.09 0.68 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.59 3.70 0.00 1.76 1.95 0.00 3.09 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 33 E 7.99 3.89 0.00 2.13 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 2.49 2.44 0.00 34 L 8.11 4.03 0.00 1.59 1.68 1.00 0.87 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 35 I 7.97 3.66 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 1.35 0.58 0.88 0.00 0.00 36 S 8.26 4.03 0.00 3.95 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 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2.86 2.90 0.00 0.00 6.99 7.49 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 73 K 7.72 3.91 0.00 1.89 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.23 7.81 74 T 7.70 5.20 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 1.22 0.00 0.00 75 L 8.87 5.04 0.00 1.83 1.58 1.01 1.36 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 76 T 8.79 5.08 4.40 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 1.27 0.00 0.00 77 V 8.64 4.77 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 0.99 0.00 0.00 0.93 0.00 0.00 78 E 9.46 5.27 0.00 2.00 1.70 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 2.17 2.22 0.00 79 D 9.04 5.41 0.00 2.68 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 80 S 7.58 5.03 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.86 0.00 2.00 1.98 0.00 3.15 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 99 S 8.16 4.32 0.00 4.13 4.14 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 0.00 100 G 8.15 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.01 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 1.15 0.00 0.00 102 K 8.12 3.86 0.00 1.95 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.45 7.81 103 S 8.15 4.42 0.00 4.11 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 0.00 104 F 7.70 2.88 0.00 2.68 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 0.00 105 M 7.87 3.54 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.65 4.22 0.00 0.51 1.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.13 0.00 115 S 8.37 4.27 0.00 4.22 4.02 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 0.00 116 M 8.60 4.39 0.00 2.38 2.63 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 3.11 3.15 0.00 117 I 7.61 2.47 1.43 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.31 0.80 0.00 0.00 118 G 7.96 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 0.00 119 Q 8.04 4.06 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.41 1.44 0.00 120 F 8.27 4.50 0.00 3.15 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 0.00 121 G 7.90 3.75 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 0.00 0.00 0.00 122 V 7.13 4.57 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 1.06 0.00 0.00 0.95 0.00 0.00 123 G 8.21 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 0.00 124 F 8.53 3.95 0.00 2.93 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 0.00 125 Y 8.07 4.24 0.00 3.29 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 0.00 126 S 8.10 4.22 0.00 4.11 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 0.00 127 A 7.77 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.47 4.60 0.00 3.24 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 0.00 129 L 8.17 4.22 0.00 1.68 1.78 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.51 4.17 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 0.18 0.00 0.00 -0.48 0.00 0.00 131 A 7.37 5.04 1.03 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 0.00 0.00 132 D 8.47 4.58 0.00 2.82 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 0.00 133 R 7.71 4.90 0.00 1.94 2.07 0.00 2.96 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 134 V 8.57 4.93 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 0.98 0.00 0.00 -0.07 0.00 0.00 135 T 8.87 5.24 4.33 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 1.32 0.00 0.00 136 V 9.20 4.85 2.17 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 0.67 0.00 0.00 0.90 0.00 0.00 137 V 9.24 5.05 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 1.02 0.00 0.00 0.99 0.00 0.00 138 S 9.03 5.05 0.00 3.95 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 0.00 139 K 9.32 4.65 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.43 7.81 140 N 8.62 5.46 0.00 2.82 2.63 0.00 0.00 7.68 6.71 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 0.00 141 N 8.96 4.32 0.00 2.75 2.89 0.00 0.00 6.98 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 0.00 142 E 8.77 4.36 0.00 1.94 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 2.32 2.39 0.00 143 D 7.61 4.64 0.00 2.65 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 0.00 144 D 8.55 4.64 0.00 2.58 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 0.00 145 A 8.24 4.52 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.92 5.16 0.00 2.92 2.90 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 0.00 0.00 0.00 147 T 9.27 5.30 4.34 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 1.32 0.00 0.00 148 W 9.75 5.37 0.00 3.31 2.99 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 0.00 149 E 8.42 4.75 0.00 1.66 1.73 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 2.14 2.13 0.00 150 S 6.88 4.82 0.00 3.96 3.97 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 *154 G 7.96 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 0.00 0.00 0.00 0.00 155 T 7.78 5.28 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 1.15 0.00 0.00 156 F 8.34 5.12 0.00 2.24 2.51 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 0.00 157 T 8.86 5.15 4.27 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 0.00 0.00 0.00 1.16 0.00 0.00 158 V 9.16 5.05 2.38 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 1.10 0.00 0.00 1.14 0.00 0.00 159 T 9.16 5.35 4.32 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 1.30 0.00 0.00 160 S 8.70 3.92 0.00 3.33 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 0.00 161 T 8.40 4.43 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 1.26 0.00 0.00 162 P 0.00 4.12 0.00 2.03 2.02 0.00 3.63 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 163 D 8.20 4.50 0.00 2.86 2.49 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 0.00 164 C 8.40 4.30 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 0.00 165 D 7.44 4.43 0.00 2.65 2.72 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 0.00 166 L 7.35 4.43 0.00 1.52 1.59 0.91 0.71 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 0.00 167 K 8.35 4.16 0.00 1.82 1.71 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 0.99 7.81 168 R 7.52 4.50 0.00 1.75 1.71 0.00 3.09 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 169 G 7.49 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 0.00 0.00 0.00 0.00 170 T 8.45 5.07 4.33 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 1.19 0.00 0.00 171 R 9.77 4.83 0.00 1.74 1.77 0.00 3.07 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 172 I 8.77 4.90 1.90 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 1.20 0.80 0.97 0.00 0.00 173 V 8.94 4.54 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 0.99 0.00 0.00 0.96 0.00 0.00 174 L 8.82 4.69 0.00 1.75 1.43 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *175 H 8.87 4.85 0.00 2.62 3.00 0.00 7.21 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.21 4.43 0.00 1.57 1.65 1.09 0.61 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 0.00 177 K 9.13 4.20 0.00 1.77 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 178 E 8.89 3.54 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 179 D 8.01 4.69 0.00 2.79 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 0.00 180 Q 8.66 4.71 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 181 Q 8.06 4.09 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.29 0.00 182 E 8.08 4.02 0.00 1.86 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 1.55 1.47 0.00 183 Y 7.31 4.69 0.00 3.08 3.22 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 0.00 184 L 7.81 4.51 0.00 1.78 1.73 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 185 E 7.81 4.55 0.00 2.16 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 2.46 2.28 0.00 186 E 8.78 4.08 0.00 2.00 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 2.31 1.95 0.00 187 R 7.92 4.10 0.00 1.81 1.97 0.00 3.24 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 1.63 1.26 0.00 188 R 8.05 4.12 0.00 1.88 2.15 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 189 L 8.00 4.14 0.00 1.92 1.73 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.51 3.90 0.00 1.71 1.83 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.37 7.81 191 D 7.83 4.58 0.00 2.91 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 0.00 192 L 7.81 4.13 0.00 1.85 1.70 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 193 I 7.92 3.78 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.91 0.00 0.00 194 K 7.94 4.10 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 195 K 7.56 4.33 0.00 1.82 1.53 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 196 H 7.61 4.83 0.00 3.04 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 7.90 4.04 0.00 3.61 3.74 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 *200 I 7.67 3.90 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 1.36 0.95 1.03 0.00 0.00 201 G 8.37 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 0.00 202 Y 7.20 4.78 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 D 8.66 4.58 0.00 2.85 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 0.00 204 I 8.40 4.85 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 1.36 0.97 0.90 0.00 0.00 205 E 9.23 4.63 0.00 1.89 1.85 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 2.27 2.25 0.00 206 L 8.49 4.93 0.00 1.61 1.56 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 207 M 8.46 4.30 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.