NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 D 4.6111 8.3649 120.5302 54.0776 42.5594 175.2343 64 E 4.2060 8.1190 117.8030 54.8202 31.1167 175.2864 65 I 4.1508 8.7870 123.6282 60.6788 38.7544 176.7567 66 K 4.4339 7.4853 119.9013 54.5483 34.8162 175.9575 67 I 4.4467 8.2398 124.5424 60.7125 38.7851 175.3514 68 V 4.4191 8.3232 120.9441 59.9312 34.6998 174.6748 69 K 4.2446 8.0480 120.3304 54.4087 35.5218 176.6034 70 Y 3.7271 7.7545 122.0089 60.5812 38.4540 175.5625 71 P 3.8775 0.0000 0.0000 62.1392 31.3076 175.0101 72 D 3.9301 7.1605 119.5045 53.8255 41.5225 175.2538 73 P 4.4032 0.0000 0.0000 63.9235 31.4440 178.3719 74 I 3.6655 7.8539 118.6042 63.8296 37.8100 177.2634 75 L 4.0962 7.7154 120.1923 57.1311 41.6814 177.6977 76 R 4.5693 7.4676 116.3480 56.3671 31.5524 176.6021 77 R 4.2606 8.1103 119.4067 55.4872 31.8986 175.5064 78 R 4.4421 8.1622 120.4367 54.8664 30.8382 176.1591 79 S 4.5529 8.3844 122.9170 58.3643 63.7774 173.7346 80 E 4.6931 8.8113 122.4876 54.4522 32.0377 176.0421 81 V 4.1617 8.2228 115.6504 62.0235 32.2928 176.2266 82 T 4.0480 9.1738 122.3734 63.4444 69.1324 173.5807 83 N 4.3087 8.0720 122.1682 54.6097 40.1149 175.3463 84 F 4.5953 6.5902 119.2512 56.9985 39.3516 176.6398 85 D 4.7290 8.1664 129.6671 51.1898 39.3427 175.3652 86 D 4.3110 8.0053 115.1794 54.8569 44.8894 175.1338 87 N 4.1926 8.9257 121.6739 53.4438 35.8215 174.5707 88 L 4.4424 7.0756 111.4570 54.3929 45.0307 177.3635 89 K 4.1592 8.0627 119.7469 58.5004 31.7788 178.9127 90 R 4.0627 7.9055 118.7881 58.7626 29.8184 178.8313 91 V 3.5639 7.7780 118.1853 65.9857 31.6703 178.0782 92 V 3.6134 7.6519 116.1824 65.5465 31.6381 177.5492 93 R 4.3348 7.9283 118.7967 59.1029 29.9840 178.7419 94 K 3.9363 8.0298 115.7540 57.5000 32.1812 178.5454 *96 F 4.6385 7.9111 118.9748 57.8708 40.8682 176.1087 97 D 4.6992 8.7192 120.4438 57.9286 41.0474 179.3119 98 I 3.8130 8.2355 117.1289 63.0406 37.4242 177.4098 *100 Y 5.0594 7.8532 119.9845 58.0055 39.4792 176.1913 101 E 4.3062 8.5213 116.1244 57.9049 30.2510 177.2221 102 S 4.6273 7.9506 114.5497 57.4397 63.0083 174.0561 103 K 3.9945 7.9917 117.7960 57.6076 29.5173 174.7388 104 G 3.8515 7.5556 104.6700 43.7446 0.0000 173.7580 105 I 3.7457 7.7675 119.6349 62.1160 38.6118 175.4434 106 G 4.6553 7.4002 104.2538 44.6058 0.0000 171.6011 107 L 4.7376 8.9601 120.6898 53.7234 45.9998 174.2090 108 S 5.0840 8.4364 119.1101 56.2739 65.9112 174.7147 109 A 3.9152 8.4895 124.5255 55.0260 18.6225 178.3680 110 P 4.2083 0.0000 0.0000 65.8010 31.6421 178.0665 111 Q 4.1830 7.9778 115.9114 57.3143 28.8206 177.3006 112 V 4.9024 7.3976 111.0116 60.1563 32.2429 174.9104 113 N 4.1689 7.9676 115.0201 54.8383 37.4418 173.8735 114 I 4.3453 7.6674 116.7605 59.1417 39.6790 176.6879 115 S 4.5403 8.3664 125.1640 57.5142 60.1824 172.9347 116 K 4.8871 7.4797 119.4499 53.8000 36.0906 178.7143 117 R 4.3561 8.2052 123.2066 56.0607 28.3667 175.9693 118 I 4.8630 7.3863 120.4339 59.7043 41.0946 176.7395 119 I 5.0337 8.1656 124.1295 59.9804 41.5554 174.7143 120 V 5.3856 9.1590 118.9949 58.6548 36.4825 174.0382 121 W 5.4029 8.2710 117.4638 56.6027 31.4848 173.0220 122 N 5.4998 9.4444 119.1078 52.9107 39.9967 174.1773 123 A 4.3164 9.5266 130.6502 54.4594 19.2247 177.3063 124 L 4.7991 8.5440 115.8148 53.5520 41.1359 176.0775 125 Y 4.6764 7.7866 118.8088 59.2286 39.2346 178.5910 126 E 3.5233 7.2601 119.0951 58.5735 29.5713 177.2671 127 K 4.4201 7.1825 116.9548 54.3326 33.6438 175.9095 128 R 3.9828 7.9366 121.6673 56.1666 30.8982 176.9821 129 K 4.2268 8.0893 117.0029 55.3013 35.9756 175.2210 130 E 4.0076 8.6772 122.5499 57.7532 29.8997 176.8801 131 E 3.7834 8.7908 118.3969 57.0426 26.9001 174.4257 132 N 4.8562 7.7617 115.3535 53.2470 39.9263 174.4027 133 E 4.5670 7.8617 116.4419 56.8843 31.1359 176.6099 134 R 4.1790 9.2587 121.5362 54.6063 33.4828 174.1895 135 I 4.6099 7.9403 125.2654 59.6592 38.5008 175.6479 136 F 4.6154 9.0715 125.8334 55.7301 41.7568 174.1215 137 I 4.4093 9.0952 125.6730 60.6773 38.7891 176.1529 138 N 4.2579 8.5323 122.9734 53.8013 36.5470 172.2309 139 P 5.2088 0.0000 0.0000 63.0154 33.6356 176.5089 140 S 4.7161 9.1916 113.8768 57.1179 66.6115 172.9379 141 I 3.9669 8.0085 124.9154 59.9802 37.0474 176.0506 142 V 3.8864 8.5674 122.1979 64.0221 32.0568 176.6364 143 E 4.9381 7.8863 117.5145 55.1533 34.3083 174.1444 144 Q 4.9628 8.3853 117.8144 54.7783 31.9958 174.6256 145 S 4.3810 8.5649 116.2517 58.4324 64.0564 173.4837 146 L 4.2552 8.3386 120.1084 56.7481 42.8106 176.7630 147 V 3.6796 7.1809 119.0790 63.3277 32.2445 175.8191 148 K 5.0860 8.5133 127.0667 55.0342 35.3029 175.3210 149 L 4.4522 8.7798 122.4167 54.1276 45.7669 174.7076 150 K 4.7632 8.6897 126.2215 54.9560 32.4316 175.4749 151 L 4.8214 8.1902 125.2947 52.8685 45.5827 175.2690 152 I 4.8505 8.1350 119.5934 60.6447 39.1135 175.5483 153 E 4.7164 9.1497 123.0834 55.2266 34.3623 175.2965 154 G 4.6548 7.8987 110.3244 46.3201 0.0000 170.9942 155 C 4.5082 8.0104 114.3873 58.6022 33.9615 175.5554 156 L 4.1938 8.8080 127.2374 57.2589 41.3473 177.8225 157 S 4.6026 7.9298 113.3205 57.4376 63.3205 173.5916 158 F 4.8382 8.7711 121.6303 56.4778 42.0348 175.3119 159 G 3.7491 8.9659 112.9802 46.7496 0.0000 172.8354 160 I 4.2848 7.6603 121.1384 60.6019 38.3573 174.7407 161 E 4.8873 7.8891 119.9584 55.5629 32.4863 174.5690 162 G 3.9726 8.1482 110.4457 46.2913 0.0000 171.2234 163 K 5.2156 8.3998 119.1330 54.7374 33.5969 176.7379 164 V 4.3295 8.3590 123.8096 61.0947 35.0002 173.5314 165 E 4.8860 8.8480 129.2404 55.7221 30.2613 175.4798 166 R 4.8050 8.7642 124.9127 53.4769 35.0704 172.8322 167 P 4.5607 0.0000 0.0000 63.4742 31.5272 176.7100 168 S 4.2031 8.9668 118.1279 60.7059 62.8297 174.5493 169 I 4.7485 7.5780 120.1334 59.4017 40.4577 174.9392 170 V 4.6156 8.3044 119.1425 59.5010 34.9393 174.4723 171 S 4.9396 9.3272 120.5452 56.9313 63.9679 172.9403 172 I 5.0670 8.7556 127.8061 59.4470 41.1374 174.6403 173 S 5.2604 8.6800 118.1738 57.2933 66.7875 172.6220 174 Y 5.4376 8.1204 118.6159 56.9279 41.8148 172.2539 175 Y 5.0917 9.4156 116.4947 56.4134 41.8282 176.8398 176 D 5.1344 9.1104 123.5709 52.8003 41.4157 176.3764 177 I 3.9643 8.3906 117.6344 63.4004 38.1089 176.6603 178 N 4.7554 8.2461 114.8788 52.6309 39.4216 174.7975 179 G 4.0003 7.7292 104.3338 45.2430 0.0000 173.9330 180 Y 4.6268 8.3519 119.0208 57.5075 39.1277 175.0459 181 K 3.9751 8.5461 124.6589 56.3123 33.6386 175.2034 182 H 4.8590 8.2091 121.4771 53.9548 33.5361 172.1279 183 L 5.2268 8.0833 118.2127 53.4061 45.2108 176.3250 184 K 4.6228 8.8548 119.6351 55.6470 37.3797 174.5086 185 I 4.7099 8.3907 123.9201 59.8809 38.9166 174.9073 186 L 4.9757 8.5282 127.7163 52.8963 43.9936 175.8316 187 K 4.7443 8.8232 121.1474 55.5310 34.4319 175.1304 188 G 4.1476 9.0401 106.5381 45.0284 0.0000 177.3703 189 I 3.8461 8.5948 125.3794 62.4847 37.8539 176.4998 190 H 4.1498 7.9657 116.8969 58.9257 28.7303 177.2495 191 S 4.1505 7.9990 114.2923 60.8361 62.1153 176.0542 192 R 3.8206 7.2336 121.7817 59.3596 29.8553 178.3318 193 I 3.6036 7.0398 119.3636 63.3492 37.0192 177.9087 194 F 3.7398 7.4554 121.7508 61.4079 39.0431 176.8691 195 Q 4.1690 7.8189 116.7582 60.0517 28.8644 178.5143 196 H 4.1537 7.9900 119.2771 59.1596 29.4842 177.1156 197 E 4.0644 8.9758 120.9092 59.3026 29.2884 179.3885 198 F 4.1120 8.8439 121.3651 61.1958 39.4387 176.9162 199 D 4.2587 8.1803 118.4225 57.1692 40.6145 178.3629 200 H 4.2364 7.6535 116.6858 58.5205 28.7790 177.0354 201 L 4.2492 7.5002 119.0864 55.8705 41.2201 177.6118 202 N 4.7294 7.3973 114.3296 52.2618 40.0035 174.8819 203 G 4.0362 7.9219 105.4012 46.5775 0.0000 173.3442 204 T 4.5349 7.7367 116.2462 61.7579 69.7247 174.5670 205 L 4.7660 9.2686 126.7536 52.5793 43.8500 177.7133 206 F 4.1924 8.6955 115.5879 59.3235 37.8591 176.8115 207 I 3.5629 7.4413 113.1132 61.8823 37.9014 176.3961 208 D 4.4416 8.1000 121.6194 56.4766 41.4368 177.2096 209 K 4.2560 7.1594 119.4958 55.9688 31.7541 177.4065 *211 T 4.0599 7.3833 115.1211 63.1046 71.1999 174.2484 212 Q 3.8879 8.6212 124.9066 59.6143 28.8609 179.6877 213 V 3.6106 7.5961 118.2837 66.2794 31.5698 177.7264 214 D 4.2865 7.7959 116.7197 57.0476 40.5580 178.0983 215 K 3.9020 8.6163 120.6523 59.3858 31.6606 178.7907 216 K 4.0288 7.6938 118.5504 59.0068 31.9500 178.0282 217 K 4.2942 7.8934 117.5701 57.2524 32.3956 177.1015 218 V 4.3953 7.4000 114.9813 60.7772 33.1821 177.0645 219 R 3.8518 7.8567 120.8482 59.5307 29.7555 176.0837 220 P 4.2647 0.0000 0.0000 65.6446 31.2724 178.3212 221 K 4.2211 7.9976 115.7106 58.7865 32.8682 179.0468 222 L 4.0976 7.6636 121.0215 58.0269 41.6232 178.8824 223 N 4.4681 8.4294 116.6549 56.2332 38.3393 177.4082 224 E 3.9870 8.4255 120.0166 59.5372 29.4986 179.2574 225 L 4.0461 7.7891 119.0835 58.0771 41.6774 179.7821 226 I 3.7469 7.9350 119.7003 64.3518 36.9875 178.7524 227 R 4.0045 8.0727 119.0502 59.3172 29.7503 178.7816 228 D 4.4111 8.2891 118.0737 57.2459 41.0546 178.0586 229 Y 4.0870 7.9957 120.1975 60.7283 38.6853 177.8911 230 K 3.9078 7.9519 118.1360 59.2908 32.6017 179.0830 231 A 4.4313 7.7130 119.6735 50.6422 18.8668 177.9697 232 T 4.0793 6.4239 116.9757 64.5792 72.9713 173.8676 233 H 4.3156 8.8980 118.4229 55.6780 31.0675 174.3673 234 S 4.0371 8.8582 118.5681 58.6787 64.1451 172.4713 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 63 D 8.36 4.61 0.00 2.69 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 64 E 8.12 4.21 0.00 2.16 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 2.27 2.36 0.00 65 I 8.79 4.15 1.88 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 0.66 0.92 0.00 0.00 66 K 7.49 4.43 0.00 1.75 1.66 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.33 7.81 67 I 8.24 4.45 1.85 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 1.45 0.58 0.90 0.00 0.00 68 V 8.32 4.42 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 0.73 0.00 0.00 0.96 0.00 0.00 69 K 8.05 4.24 0.00 1.68 1.61 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.39 7.81 70 Y 7.75 3.73 0.00 1.43 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 71 P 0.00 3.88 0.00 1.36 1.34 0.00 3.03 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.39 0.00 72 D 7.16 3.93 0.00 2.57 2.42 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 73 P 0.00 4.40 0.00 2.18 2.02 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 74 I 7.85 3.67 1.85 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 1.37 1.48 0.90 0.00 0.00 75 L 7.72 4.10 0.00 1.93 1.65 0.86 0.85 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 76 R 7.47 4.57 0.00 1.84 1.91 0.00 3.35 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 77 R 8.11 4.26 0.00 1.85 1.86 0.00 3.12 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 78 R 8.16 4.44 0.00 1.78 1.80 0.00 3.38 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 79 S 8.38 4.55 0.00 3.94 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 80 E 8.81 4.69 0.00 1.94 1.79 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 2.22 2.24 0.00 81 V 8.22 4.16 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 0.70 0.00 0.00 0.88 0.00 0.00 82 T 9.17 4.05 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 1.12 0.00 0.00 83 N 8.07 4.31 0.00 1.44 2.21 0.00 0.00 7.03 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 84 F 6.59 4.60 0.00 3.07 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 85 D 8.17 4.73 0.00 2.61 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 86 D 8.01 4.31 0.00 2.57 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 87 N 8.93 4.19 0.00 2.86 2.81 0.00 0.00 6.85 7.85 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 88 L 7.08 4.44 0.00 1.69 1.61 0.98 0.95 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 89 K 8.06 4.16 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.56 7.81 90 R 7.91 4.06 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 91 V 7.78 3.56 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 0.77 0.00 0.00 0.99 0.00 0.00 92 V 7.65 3.61 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 0.93 0.00 0.00 0.93 0.00 0.00 93 R 7.93 4.33 0.00 2.22 2.02 0.00 3.39 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 1.70 1.82 0.00 94 K 8.03 3.94 0.00 1.95 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.68 7.81 *96 F 7.91 4.64 0.00 3.31 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 97 D 8.72 4.70 0.00 2.96 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 98 I 8.24 3.81 1.84 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 1.37 1.37 0.89 0.00 0.00 *100 Y 7.85 5.06 0.00 3.29 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 0.00 101 E 8.52 4.31 0.00 2.14 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 2.51 2.32 0.00 102 S 7.95 4.63 0.00 3.94 3.89 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 0.00 103 K 7.99 3.99 0.00 1.92 2.06 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.50 7.81 104 G 7.56 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 0.00 0.00 0.00 105 I 7.77 3.75 1.87 0.00 0.00 1.00 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 1.79 0.79 0.00 0.00 106 G 7.40 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 0.00 0.00 0.00 107 L 8.96 4.74 0.00 1.62 1.30 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.44 5.08 0.00 3.86 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 0.00 109 A 8.49 3.92 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 0.00 110 P 0.00 4.21 0.00 2.10 2.09 0.00 3.45 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 111 Q 7.98 4.18 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.87 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 112 V 7.40 4.90 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 0.53 0.00 0.00 0.95 0.00 0.00 113 N 7.97 4.17 0.00 2.88 2.90 0.00 0.00 6.82 7.26 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 0.00 114 I 7.67 4.35 1.98 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 1.28 0.94 0.92 0.00 0.00 115 S 8.37 4.54 0.00 3.88 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 0.00 116 K 7.48 4.89 0.00 1.58 1.62 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.44 7.81 117 R 8.21 4.36 0.00 1.98 1.94 0.00 3.09 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 118 I 7.39 4.86 1.83 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 1.34 0.90 0.86 0.00 0.00 119 I 8.17 5.03 1.99 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 1.26 0.66 0.93 0.00 0.00 120 V 9.16 5.39 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 0.00 0.00 0.53 0.00 0.00 0.27 0.00 0.00 121 W 8.27 5.40 0.00 3.59 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 0.00 122 N 9.44 5.50 0.00 2.97 3.06 0.00 0.00 7.16 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 0.00 123 A 9.53 4.32 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 0.00 0.00 124 L 8.54 4.80 0.00 1.62 1.61 0.99 0.85 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 0.00 125 Y 7.79 4.68 0.00 3.48 3.56 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 0.00 126 E 7.26 3.52 0.00 1.65 1.88 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 2.07 1.50 0.00 127 K 7.18 4.42 0.00 1.46 1.64 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.34 7.81 128 R 7.94 3.98 0.00 1.35 0.89 0.00 2.91 0.00 0.00 2.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.34 0.00 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0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.96 0.00 0.00 138 N 8.53 4.26 0.00 2.89 2.88 0.00 0.00 7.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 5.21 0.00 2.44 2.37 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.11 0.00 140 S 9.19 4.72 0.00 4.03 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 0.00 141 I 8.01 3.97 1.78 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 0.93 -0.10 0.81 0.00 0.00 142 V 8.57 3.89 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 0.62 0.00 0.00 0.91 0.00 0.00 143 E 7.89 4.94 0.00 1.80 1.75 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 2.28 2.23 0.00 144 Q 8.39 4.96 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 145 S 8.56 4.38 0.00 3.90 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.20 2.28 0.00 154 G 7.90 4.65 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 0.00 155 C 8.01 4.51 0.00 2.08 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 0.00 0.00 0.00 156 L 8.81 4.19 0.00 1.59 1.68 0.85 0.83 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 0.00 157 S 7.93 4.60 0.00 3.89 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 0.00 158 F 8.77 4.84 0.00 3.03 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 0.00 159 G 8.97 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 0.00 160 I 7.66 4.28 2.09 0.00 0.00 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 1.22 0.52 0.78 0.00 0.00 161 E 7.89 4.89 0.00 1.93 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 2.48 0.00 162 G 8.15 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 0.00 0.00 0.00 163 K 8.40 5.22 0.00 1.77 1.69 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.33 7.81 164 V 8.36 4.33 2.26 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 0.93 0.00 0.00 0.87 0.00 0.00 165 E 8.85 4.89 0.00 2.00 1.82 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 2.25 2.32 0.00 166 R 8.76 4.80 0.00 1.76 1.86 0.00 3.50 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 167 P 0.00 4.56 0.00 2.01 2.00 0.00 3.79 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 2.04 2.12 0.00 168 S 8.97 4.20 0.00 3.85 3.87 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 0.00 169 I 7.58 4.75 1.85 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 1.33 0.70 0.89 0.00 0.00 170 V 8.30 4.62 1.79 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 0.68 0.00 0.00 0.75 0.00 0.00 171 S 9.33 4.94 0.00 3.78 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 0.00 172 I 8.76 5.07 1.90 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 1.00 0.00 0.00 173 S 8.68 5.26 0.00 3.85 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 0.00 174 Y 8.12 5.44 0.00 3.30 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 0.00 175 Y 9.42 5.09 0.00 3.17 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 0.00 176 D 9.11 5.13 0.00 2.94 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 0.00 177 I 8.39 3.96 1.91 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 1.45 0.72 0.95 0.00 0.00 178 N 8.25 4.76 0.00 2.48 2.72 0.00 0.00 7.14 7.65 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 0.00 179 G 7.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 4.63 0.00 3.31 2.71 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 0.00 0.00 0.00 0.00 181 K 8.55 3.98 0.00 1.41 1.43 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 0.30 7.81 182 H 8.21 4.86 0.00 1.81 2.82 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.08 5.23 0.00 1.40 1.50 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.85 4.62 0.00 1.98 1.79 0.00 1.97 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.51 7.81 185 I 8.39 4.71 1.88 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 1.34 0.82 0.90 0.00 0.00 186 L 8.53 4.98 0.00 1.52 1.62 1.09 0.34 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 0.00 187 K 8.82 4.74 0.00 1.71 1.72 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.41 7.81 188 G 9.04 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 0.00 189 I 8.59 3.85 1.81 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 1.50 1.29 0.69 0.00 0.00 190 H 7.97 4.15 0.00 3.37 3.74 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.00 4.15 0.00 3.98 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 0.00 192 R 7.23 3.82 0.00 2.00 1.90 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 193 I 7.04 3.60 0.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.08 0.21 0.00 0.00 194 F 7.46 3.74 0.00 3.25 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 0.00 195 Q 7.82 4.17 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 196 H 7.99 4.15 0.00 3.22 3.27 0.00 5.79 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 0.00 197 E 8.98 4.06 0.00 1.93 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 2.51 2.53 0.00 198 F 8.84 4.11 0.00 2.67 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 0.00 199 D 8.18 4.26 0.00 3.03 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 0.00 200 H 7.65 4.24 0.00 3.34 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 7.50 4.25 0.00 1.37 1.55 0.92 0.77 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 0.00 202 N 7.40 4.73 0.00 2.54 2.67 0.00 0.00 7.03 7.65 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 0.00 203 G 7.92 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 0.00 204 T 7.74 4.53 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 1.31 0.00 0.00 205 L 9.27 4.77 0.00 1.78 1.79 1.06 1.30 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 0.00 206 F 8.70 4.19 0.00 3.10 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 0.00 207 I 7.44 3.56 1.56 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 1.33 0.51 0.07 0.00 0.00 208 D 8.10 4.44 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 7.16 4.26 0.00 1.70 1.77 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.38 7.81 *211 T 7.38 4.06 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 1.17 0.00 0.00 212 Q 8.62 3.89 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 213 V 7.60 3.61 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 214 D 7.80 4.29 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 K 8.62 3.90 0.00 1.79 1.74 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.50 7.81 216 K 7.69 4.03 0.00 1.89 2.01 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.42 7.81 217 K 7.89 4.29 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.56 7.81 218 V 7.40 4.40 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 0.67 0.00 0.00 0.88 0.00 0.00 219 R 7.86 3.85 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 220 P 0.00 4.26 0.00 2.20 2.12 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 221 K 8.00 4.22 0.00 2.03 2.10 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.60 7.81 222 L 7.66 4.10 0.00 2.02 1.86 0.90 0.98 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 0.00 223 N 8.43 4.47 0.00 2.97 2.91 0.00 0.00 7.07 8.20 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 0.00 224 E 8.43 3.99 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 225 L 7.79 4.05 0.00 2.16 1.94 0.98 0.92 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 0.00 226 I 7.94 3.75 2.04 0.00 0.00 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 1.44 0.97 0.94 0.00 0.00 227 R 8.07 4.00 0.00 2.07 1.99 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 228 D 8.29 4.41 0.00 2.66 2.76 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 0.00 229 Y 8.00 4.09 0.00 2.97 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 0.00 230 K 7.95 3.91 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.55 7.81 231 A 7.71 4.43 1.24 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 0.00 0.00 232 T 6.42 4.08 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 1.09 0.00 0.00 233 H 8.90 4.32 0.00 3.00 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 S 8.86 4.04 0.00 4.10 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 * Residues marked with a * may have inaccurate shift predictions.