NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.4942 8.3016 107.8423 47.0210 0.0000 172.3066 5 H 4.8825 7.6524 117.3197 55.5324 33.0968 171.5734 6 I 4.9428 10.0943 126.9825 59.7261 41.0994 174.4605 7 Q 5.0645 8.7849 125.8952 54.6605 31.8453 174.3506 8 L 5.0469 8.2146 121.6464 54.0630 46.3530 174.3870 9 I 5.1898 8.7698 125.8092 59.8423 41.3007 174.7394 10 I 5.6646 8.5292 118.8175 58.4112 41.1272 172.9730 11 G 3.9537 8.0866 107.2586 43.1872 0.0000 172.3418 12 P 4.4650 0.0000 0.0000 62.5134 32.6434 175.8339 13 M 3.9401 8.1332 117.0472 55.7385 31.4121 176.7410 14 F 4.1543 8.2562 115.7416 58.3010 37.0485 177.6102 15 S 4.2896 7.6198 117.4164 60.1769 63.0159 175.5026 16 G 3.9595 7.8170 107.5272 45.6556 0.0000 175.3909 17 K 3.9669 7.7083 119.2711 58.5977 31.9913 178.5476 18 S 4.1903 8.0534 113.8744 62.4780 62.7391 177.0852 19 T 3.8897 7.5637 117.9424 66.1856 68.1949 176.2525 20 E 3.8450 8.1252 121.0083 59.2758 29.7354 178.2406 21 L 3.8450 7.9472 119.8180 58.5131 41.9808 178.6274 22 I 3.6645 7.6792 117.7104 64.0758 37.7576 177.5719 23 R 3.8838 7.8782 119.4751 59.8216 29.6610 178.6409 24 R 3.9896 8.4088 116.5511 59.1093 30.1680 179.1311 25 V 3.7917 7.9117 118.0961 65.9858 31.5179 177.9853 26 R 3.9528 8.3803 118.0549 60.2890 29.7659 179.4032 27 R 4.0813 7.3842 115.8642 59.3713 30.2800 178.0873 28 Y 3.6188 8.3773 116.8023 60.7122 37.8420 177.8834 29 Q 4.0714 8.1869 120.4669 59.3544 29.2143 177.6940 30 I 3.8819 8.7371 115.3131 62.3227 37.8870 175.5869 31 A 4.6051 7.8316 121.3767 52.3364 19.4245 177.0227 32 Q 3.6258 8.2612 116.8685 58.4728 25.9414 172.6567 33 Y 4.6831 7.6786 114.8277 55.7475 41.7937 176.9240 34 K 4.3705 8.1830 120.9330 56.4044 31.8623 175.4298 35 C 5.6635 8.8584 122.0748 57.9353 31.0493 173.5847 36 V 4.3758 8.5072 120.5064 60.5129 35.3223 174.1966 37 T 4.9965 8.0750 116.8900 62.0994 72.1934 173.2737 38 I 4.6101 8.6617 128.4211 60.5207 39.2248 175.2292 39 K 5.1583 8.1151 120.2709 55.8436 36.4478 174.2481 40 Y 4.9821 8.3744 124.6925 57.0835 38.9520 174.7060 41 S 4.2627 7.6963 119.7480 59.5361 64.7122 172.3578 42 N 3.8220 6.8310 122.2483 53.0309 36.9479 174.1003 43 D 4.8297 7.3130 131.2995 52.1950 38.8500 180.0357 *54 D 5.1959 8.9064 114.4600 53.6119 40.5612 173.9869 55 K 4.2375 8.1109 116.2509 56.1193 35.1097 174.8725 56 N 4.3033 8.8674 123.0395 54.6153 38.9387 173.0692 57 N 4.5715 8.4730 117.0447 53.9885 43.1780 174.9623 58 F 4.9165 7.5424 117.3876 56.4982 40.8056 174.0905 59 E 3.6873 8.9758 125.7579 55.7186 28.8696 171.5406 60 A 3.9046 8.1588 125.9997 51.8728 18.6561 177.3815 61 L 4.9230 8.0648 120.9916 53.7761 45.4349 174.5959 62 E 4.9995 7.9549 119.3434 56.1273 33.4500 175.1051 63 A 4.7726 8.9309 127.9225 51.5912 22.6893 175.7339 64 T 4.4179 8.6964 103.5886 61.0952 70.5000 174.2264 65 K 4.8762 7.8695 121.0649 53.3025 34.3896 176.5517 66 L 3.3835 8.6679 125.2548 57.8697 40.9726 179.3373 67 C 4.4506 7.9367 115.6124 62.3990 28.0358 175.5339 68 D 4.4602 8.0007 121.0103 57.4913 40.4887 179.0566 69 V 3.7245 7.4401 113.1234 64.0803 31.2317 178.6088 70 L 4.0028 7.2442 118.6060 58.2809 42.0880 178.3434 71 Q 4.1390 8.1000 117.6494 59.3202 29.1754 178.0682 72 S 4.5190 8.4076 116.1427 61.0183 63.1827 176.4076 73 I 4.2505 7.5801 111.5617 62.4859 36.8202 177.2262 74 T 4.0455 8.1766 115.8520 64.4571 67.2857 174.3373 75 D 4.8683 8.2315 118.3908 54.1398 41.8375 175.0992 76 F 4.7251 7.9917 119.1892 55.7172 40.5973 176.2331 77 S 4.3798 8.8561 120.3747 60.5345 64.4106 174.1139 78 V 4.9091 8.6484 120.4486 60.7896 34.4259 174.7125 79 I 5.0041 8.9117 127.5965 59.5756 40.9577 174.5712 80 G 4.7257 9.1735 114.2687 45.7011 0.0000 172.9970 81 I 5.3843 7.8780 121.9942 58.9154 40.1351 173.2956 82 D 4.5457 8.6206 127.3028 54.1139 42.1690 175.1716 83 E 3.6237 8.5782 123.1143 57.2600 26.2293 175.8745 84 G 3.8330 8.3716 110.6765 48.4618 0.0000 174.9536 85 Q 3.8234 7.5973 117.0860 58.9221 28.3470 177.8565 86 F 4.1961 6.8740 114.7718 58.9563 38.9288 175.1292 87 F 4.6442 7.8143 120.5655 55.6103 39.7055 174.0858 88 P 4.4731 0.0000 0.0000 65.6408 31.1367 177.6415 89 D 4.9557 8.0372 115.8473 52.8969 39.5155 177.8939 90 I 3.8731 8.0037 120.5304 62.9580 37.6028 179.5645 91 V 2.7335 7.6854 105.8611 61.0781 33.0231 176.6725 92 E 3.9936 8.7847 121.2102 60.6424 29.8012 178.6394 93 F 4.2107 8.7847 121.9292 60.9760 39.3832 176.3792 94 C 3.5609 8.5624 114.4216 64.1249 28.1462 176.0827 95 E 3.4062 8.7569 116.4931 59.2182 29.4249 179.1227 96 R 3.8146 8.2871 121.7433 60.0210 30.7677 178.4124 97 M 3.9358 8.0850 118.1099 58.4118 31.8624 178.5347 98 A 4.7374 8.1100 122.3616 54.8095 18.3492 179.2403 99 N 4.4090 8.0461 113.1333 55.2247 38.5083 176.1581 100 E 4.6321 7.9116 119.5969 55.8224 30.3763 176.5459 101 G 3.9034 8.0615 105.2756 45.7021 0.0000 173.6183 102 K 4.7188 7.5494 118.6226 54.4604 34.7934 175.5722 103 I 4.3505 8.7112 126.0842 60.8667 38.3945 175.0480 104 V 4.5644 8.3905 128.1717 61.2798 33.7247 174.4035 105 I 4.4952 8.7237 130.6886 59.7780 39.0350 174.9537 106 V 4.6535 8.3375 127.1480 60.8837 33.9833 173.9642 107 A 5.2498 8.4328 129.3637 50.4006 21.4127 175.3365 108 A 4.6276 8.4226 122.1756 51.2266 23.6272 174.7259 109 L 4.7396 8.1464 119.9189 53.5408 42.5640 177.0708 110 D 4.5123 9.1293 124.3120 56.0401 40.1536 176.5065 111 G 4.3818 8.0480 106.1419 42.8422 0.0000 172.2460 112 T 4.1187 8.2950 110.8473 59.8016 70.5890 175.4612 113 F 4.6693 9.0236 114.8676 59.0215 37.7654 175.6941 114 Q 4.1615 7.2861 118.1118 53.9610 28.5838 175.1824 115 R 3.7775 7.7304 115.7280 56.9391 28.6185 175.9367 116 K 4.5977 7.2584 115.4868 53.8529 34.3520 174.6193 117 P 4.7249 0.0000 0.0000 63.4237 31.7088 176.1941 118 F 4.2028 9.8734 122.2878 57.6865 40.4907 174.2803 119 N 3.9530 9.1817 118.9275 53.5693 36.6292 173.8174 120 N 4.2710 8.6858 121.3794 53.6911 36.8994 176.5152 121 I 4.0261 7.7212 119.3062 63.5363 38.2926 176.7074 122 L 3.9597 7.9710 119.4063 58.2611 41.4646 178.9631 123 N 4.3466 8.3775 115.5853 56.6230 38.4352 176.8488 124 L 4.1490 8.3353 122.3052 57.7412 41.9060 178.3450 125 L 4.7525 8.0691 115.0795 55.8867 40.0115 177.3045 126 I 4.3552 7.2793 118.6925 61.7107 38.4798 176.0563 127 L 4.8140 7.6970 120.3521 54.5152 42.5070 176.3275 128 S 4.7646 7.8074 113.9843 56.5833 65.7326 174.9490 129 E 4.1672 8.8738 125.4985 59.1214 29.6090 177.3201 130 M 4.9420 7.9807 115.7111 53.4839 34.8476 174.4249 131 V 4.7725 8.2023 119.6614 61.7859 34.8970 174.1989 132 V 4.6244 8.7847 119.5220 59.5357 36.4973 173.9961 133 K 4.7910 8.5298 123.5944 54.7561 34.2861 175.6814 134 L 4.6887 9.0913 128.2344 53.9263 43.5848 175.8811 135 T 4.7030 8.2174 109.8489 60.0718 71.2675 173.9930 136 A 4.5190 8.6822 127.3411 51.1325 21.3586 175.6194 137 V 4.4288 8.0518 117.7818 61.6861 33.3969 175.1783 138 C 4.7519 9.2128 128.2852 59.6610 32.2297 174.0188 139 M 4.3100 9.3472 125.6223 56.3456 31.3362 176.5616 140 K 4.4394 7.5265 116.8073 57.0786 34.2497 176.3392 141 C 4.3614 8.0225 115.7336 57.9501 30.6532 173.7112 142 F 4.5883 8.5107 117.1044 58.9749 35.6714 174.0800 143 K 4.7411 7.8153 118.2798 53.8033 36.5906 174.1387 144 E 4.3561 8.9946 120.1138 57.1888 29.8631 177.0700 145 A 4.5755 9.1861 127.6910 51.4075 20.0823 177.4400 146 S 4.5834 8.6314 115.0690 57.7888 65.2507 173.7890 147 F 5.1876 8.2319 118.7866 55.8040 43.3455 173.5547 148 S 5.3996 8.9164 115.8828 56.9225 65.5684 172.7456 149 K 5.0379 9.1086 123.5117 54.6702 35.3182 174.9590 150 R 4.2144 9.0480 128.1083 56.3412 30.2278 176.1244 151 L 4.1416 8.8939 127.5380 57.6627 42.1994 178.2091 152 G 3.6798 7.8021 105.7239 45.5425 0.0000 173.5219 153 E 4.3449 8.2510 120.1439 55.0380 28.2528 174.6970 154 E 4.6266 7.3575 118.7895 55.1500 32.2482 174.8365 155 T 4.5879 7.4824 113.9232 63.5243 71.5898 173.9248 156 E 3.7327 7.8297 123.5830 55.6886 29.7264 177.3397 157 I 3.8006 8.4638 125.6044 64.3246 37.4293 175.5862 158 E 4.4832 8.0176 123.3875 55.1668 29.6150 175.9466 159 I 4.2976 8.1117 126.9126 60.1009 40.0682 174.0588 160 I 4.1791 8.3871 129.3612 61.2318 37.8060 175.3627 161 G 4.1845 8.2233 110.7138 45.7383 0.0000 172.8969 162 G 4.4953 7.8772 107.9486 44.0974 0.0000 174.1009 163 N 4.8123 8.9990 116.5014 55.3621 37.2679 175.3887 164 D 4.6699 8.1372 116.7993 54.8039 39.9601 176.3439 165 M 4.6313 8.6411 118.1114 55.8708 35.7787 174.4383 166 Y 5.4852 8.2742 113.2328 56.4156 42.8040 174.9380 167 Q 5.0404 9.4848 118.6573 54.5406 33.8065 174.8232 168 S 5.1275 9.3897 118.5327 58.2466 64.2772 173.3377 169 V 5.0315 9.1088 118.8833 59.1820 35.6113 175.9264 170 C 4.5947 8.6253 118.1268 57.5275 31.0299 174.2322 171 R 4.0200 8.7272 118.4550 59.8157 29.2900 177.9865 172 K 3.9522 8.1687 118.1111 59.8146 30.8520 177.9446 173 C 4.3600 7.8841 116.2412 62.4514 27.8498 174.9931 174 Y 4.5262 8.1205 121.3014 59.9586 38.5166 176.1154 175 V 3.8598 7.3444 113.2154 61.6485 30.1331 176.4031 176 G 4.2994 8.3178 112.5254 45.8115 0.0000 171.0472 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 4 G 8.30 4.49 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 0.00 5 H 7.65 4.88 0.00 3.33 3.14 0.00 5.81 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 6 I 10.09 4.94 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.91 0.00 0.00 7 Q 8.78 5.06 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 8 L 8.21 5.05 0.00 1.57 1.55 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.77 5.19 1.84 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 1.27 0.92 0.88 0.00 0.00 10 I 8.53 5.66 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.95 0.00 0.00 11 G 8.09 3.95 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 0.00 0.00 0.00 12 P 0.00 4.47 0.00 2.17 2.14 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 13 M 8.13 3.94 0.00 1.28 0.76 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 14 F 8.26 4.15 0.00 3.28 3.06 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 15 S 7.62 4.29 0.00 3.80 3.90 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 16 G 7.82 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 17 K 7.71 3.97 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.43 7.81 18 S 8.05 4.19 0.00 4.05 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 19 T 7.56 3.89 4.36 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 1.22 0.00 0.00 20 E 8.13 3.84 0.00 2.11 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 2.30 2.37 0.00 21 L 7.95 3.85 0.00 1.78 1.94 0.96 0.95 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 22 I 7.68 3.66 1.89 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 1.43 1.29 1.07 0.00 0.00 23 R 7.88 3.88 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 24 R 8.41 3.99 0.00 2.02 2.06 0.00 3.23 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 25 V 7.91 3.79 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.01 0.00 0.00 26 R 8.38 3.95 0.00 2.06 2.03 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 27 R 7.38 4.08 0.00 2.02 1.67 0.00 3.11 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 28 Y 8.38 3.62 0.00 3.05 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 29 Q 8.19 4.07 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 30 I 8.74 3.88 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 1.23 0.81 0.97 0.00 0.00 31 A 7.83 4.61 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 32 Q 8.26 3.63 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 33 Y 7.68 4.68 0.00 3.05 2.98 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 34 K 8.18 4.37 0.00 1.79 1.56 0.00 1.01 0.00 0.00 1.39 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.37 7.81 35 C 8.86 5.66 0.00 2.97 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 36 V 8.51 4.38 0.67 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 0.64 0.00 0.00 0.55 0.00 0.00 37 T 8.08 5.00 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 1.25 0.00 0.00 38 I 8.66 4.61 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.91 0.65 0.00 0.00 39 K 8.12 5.16 0.00 2.01 1.95 0.00 1.23 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.47 7.81 40 Y 8.37 4.98 0.00 2.78 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 41 S 7.70 4.26 0.00 3.82 3.78 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 42 N 6.83 3.82 0.00 2.67 2.76 0.00 0.00 6.99 8.47 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 43 D 7.31 4.83 0.00 2.73 1.62 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 *54 D 8.91 5.20 0.00 2.81 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 55 K 8.11 4.24 0.00 1.74 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 56 N 8.87 4.30 0.00 2.58 2.80 0.00 0.00 6.86 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 57 N 8.47 4.57 0.00 2.29 2.42 0.00 0.00 6.98 6.90 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 58 F 7.54 4.92 0.00 3.06 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 59 E 8.98 3.69 0.00 2.20 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 2.29 2.31 0.00 60 A 8.16 3.90 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 61 L 8.06 4.92 0.00 1.47 1.55 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.95 5.00 0.00 2.02 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 0.00 2.15 2.38 0.00 63 A 8.93 4.77 1.28 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 64 T 8.70 4.42 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 0.89 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 1.62 1.06 0.76 0.00 0.00 74 T 8.18 4.05 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 75 D 8.23 4.87 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.73 0.00 2.93 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 77 S 8.86 4.38 0.00 4.01 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 78 V 8.65 4.91 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 0.63 0.00 0.00 1.01 0.00 0.00 79 I 8.91 5.00 1.86 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 1.16 0.56 0.94 0.00 0.00 80 G 9.17 4.73 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 81 I 7.88 5.38 1.84 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 0.97 1.52 0.90 0.00 0.00 82 D 8.62 4.55 0.00 2.81 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 83 E 8.58 3.62 0.00 2.25 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 2.02 2.20 0.00 84 G 8.37 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.60 3.82 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 86 F 6.87 4.20 0.00 2.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.81 4.64 0.00 3.12 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 88 P 0.00 4.47 0.00 2.24 2.14 0.00 3.73 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 89 D 8.04 4.96 0.00 2.89 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 90 I 8.00 3.87 2.14 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 1.03 0.00 0.00 91 V 7.69 2.73 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 0.90 0.00 0.00 0.98 0.00 0.00 92 E 8.78 3.99 0.00 2.19 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 0.00 2.45 2.39 0.00 93 F 8.78 4.21 0.00 3.13 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 94 C 8.56 3.56 0.00 3.08 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 95 E 8.76 3.41 0.00 2.11 1.93 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 2.30 2.39 0.00 96 R 8.29 3.81 0.00 1.82 2.02 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 97 M 8.09 3.94 0.00 1.68 1.87 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 1.29 1.63 0.00 98 A 8.11 4.74 1.28 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 99 N 8.05 4.41 0.00 2.86 2.87 0.00 0.00 7.00 7.27 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 0.00 100 E 7.91 4.63 0.00 1.99 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 2.22 2.46 0.00 101 G 8.06 3.90 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 0.00 0.00 0.00 102 K 7.55 4.72 0.00 1.78 1.77 0.00 1.60 0.00 0.00 2.04 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.58 7.81 103 I 8.71 4.35 1.60 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.50 0.00 0.00 104 V 8.39 4.56 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 1.04 0.00 0.00 0.92 0.00 0.00 105 I 8.72 4.50 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.85 0.89 0.00 0.00 106 V 8.34 4.65 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 0.98 0.00 0.00 0.92 0.00 0.00 107 A 8.43 5.25 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 0.00 108 A 8.42 4.63 1.16 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 0.00 0.00 0.00 0.00 0.00 109 L 8.15 4.74 0.00 1.44 1.67 0.41 0.73 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 0.00 110 D 9.13 4.51 0.00 2.74 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 0.00 111 G 8.05 4.38 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 0.00 112 T 8.30 4.12 4.10 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 0.17 0.00 0.00 113 F 9.02 4.67 0.00 3.47 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.29 4.16 0.00 1.59 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 115 R 7.73 3.78 0.00 1.56 1.70 0.00 2.21 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.00 116 K 7.26 4.60 0.00 1.51 1.59 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.32 7.81 117 P 0.00 4.72 0.00 2.08 2.08 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 118 F 9.87 4.20 0.00 3.26 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 9.18 3.95 0.00 2.99 2.88 0.00 0.00 7.21 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 0.00 120 N 8.69 4.27 0.00 2.81 2.87 0.00 0.00 7.08 7.45 0.00 0.00 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 I 7.72 4.03 1.88 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 1.49 1.31 1.06 0.00 0.00 122 L 7.97 3.96 0.00 1.74 1.73 0.93 0.73 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 0.00 123 N 8.38 4.35 0.00 2.90 2.93 0.00 0.00 6.71 6.74 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 0.00 124 L 8.34 4.15 0.00 1.63 1.98 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.07 4.75 0.00 1.72 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.28 4.36 1.87 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 1.30 0.51 0.91 0.00 0.00 127 L 7.70 4.81 0.00 1.60 1.67 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.81 4.76 0.00 3.83 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 0.00 129 E 8.87 4.17 0.00 2.13 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 2.40 2.33 0.00 130 M 7.98 4.94 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 131 V 8.20 4.77 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 0.79 0.00 0.00 0.93 0.00 0.00 132 V 8.78 4.62 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 0.67 0.00 0.00 0.98 0.00 0.00 133 K 8.53 4.79 0.00 1.67 1.60 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.51 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.34 7.81 134 L 9.09 4.69 0.00 1.49 1.55 0.90 0.86 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 0.00 135 T 8.22 4.70 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 0.00 136 A 8.68 4.52 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.05 4.43 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.88 0.00 0.00 138 C 9.21 4.75 0.00 3.21 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 0.00 139 M 9.35 4.31 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.40 0.00 140 K 7.53 4.44 0.00 1.84 1.79 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.29 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.42 7.81 141 C 8.02 4.36 0.00 3.12 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 0.00 142 F 8.51 4.59 0.00 3.12 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 0.00 143 K 7.82 4.74 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.69 7.81 144 E 8.99 4.36 0.00 1.86 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 2.34 2.31 0.00 145 A 9.19 4.58 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 0.00 146 S 8.63 4.58 0.00 2.93 3.30 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 0.00 147 F 8.23 5.19 0.00 3.07 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 0.00 148 S 8.92 5.40 0.00 3.99 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 0.00 149 K 9.11 5.04 0.00 1.97 1.81 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.31 7.81 150 R 9.05 4.21 0.00 1.77 1.74 0.00 2.72 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.00 151 L 8.89 4.14 0.00 1.55 1.66 0.94 1.00 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 0.00 152 G 7.80 3.68 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 0.00 0.00 0.00 153 E 8.25 4.34 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 154 E 7.36 4.63 0.00 1.69 1.93 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 1.97 2.04 0.00 155 T 7.48 4.59 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 1.30 0.00 0.00 156 E 7.83 3.73 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 157 I 8.46 3.80 1.98 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 1.38 0.85 0.95 0.00 0.00 158 E 8.02 4.48 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 159 I 8.11 4.30 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 0.69 0.98 0.00 0.00 160 I 8.39 4.18 1.92 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 1.40 0.57 1.00 0.00 0.00 161 G 8.22 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 0.00 162 G 7.88 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 N 9.00 4.81 0.00 2.64 2.44 0.00 0.00 5.90 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 0.00 164 D 8.14 4.67 0.00 2.83 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 0.00 165 M 8.64 4.63 0.00 1.56 2.32 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 166 Y 8.27 5.49 0.00 2.96 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 0.00 167 Q 9.48 5.04 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 168 S 9.39 5.13 0.00 4.09 4.66 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 0.00 169 V 9.11 5.03 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 0.91 0.00 0.00 1.30 0.00 0.00 170 C 8.63 4.59 0.00 3.21 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 0.00 171 R 8.73 4.02 0.00 2.09 2.07 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 172 K 8.17 3.95 0.00 1.84 1.90 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.58 7.81 173 C 7.88 4.36 0.00 3.41 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 0.00 174 Y 8.12 4.53 0.00 3.14 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 0.00 175 V 7.34 3.86 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 0.78 0.00 0.00 1.00 0.00 0.00 176 G 8.32 4.30 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.