NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 K 4.0731 8.1727 122.1115 54.2372 32.4146 175.8474 35 E 3.9485 8.2789 126.5176 55.7921 29.6134 176.4226 36 Y 4.1719 7.8243 117.8713 60.0325 38.4228 177.1002 37 E 3.7977 7.3861 120.9122 58.9471 29.6701 178.7238 38 V 3.5167 7.6519 117.7387 66.3337 31.5671 177.9894 39 I 3.7575 7.5550 119.3520 64.2551 36.9318 178.5809 40 K 3.9556 8.8605 120.1732 59.4853 31.7891 178.9386 41 N 4.6146 8.0934 116.5118 55.2740 37.3654 177.2594 42 D 4.2624 8.1101 121.8282 57.4596 40.7789 178.5399 43 V 3.6704 7.7386 117.3629 66.1023 31.5346 177.1321 44 E 4.0183 8.3672 118.3638 59.7662 29.7413 178.3739 45 H 4.3429 8.1273 115.9471 58.6589 28.7816 178.1190 46 D 4.5380 8.0990 119.0250 54.9601 41.0783 178.6701 *48 K 4.0670 8.1210 121.0131 56.3681 34.1548 178.0019 49 A 3.8328 8.3687 121.2252 55.1228 18.3852 177.8372 50 D 4.5707 8.1147 113.5932 53.7913 41.4852 176.3383 51 H 3.8581 7.3802 115.5409 56.8938 26.4334 174.7132 52 I 4.8102 7.5182 118.8808 60.3596 38.6350 176.5638 53 T 4.6592 8.5498 124.6306 62.1599 70.5968 173.5184 54 Y 5.2289 7.6160 121.9364 56.0529 41.2897 174.0646 55 E 4.5233 8.6453 119.0604 56.1114 34.0068 175.6329 56 G 3.9527 8.6336 110.8573 46.6839 0.0000 173.5005 57 L 4.6542 7.5857 116.5640 52.2526 43.5050 176.8082 58 N 4.2489 9.2245 123.0834 54.1974 39.0884 175.1190 59 K 4.2701 8.5761 123.5840 56.2584 33.0519 175.8758 60 E 4.4738 8.1786 119.3997 54.4353 30.7653 175.9680 61 A 4.4032 8.4213 125.1580 52.4537 19.3535 176.4517 62 T 4.7356 8.3854 108.9156 60.0663 73.0710 172.0973 63 E 4.8679 8.7034 121.3121 54.9435 31.8181 175.7738 64 G 4.1576 8.7596 110.8318 45.0389 0.0000 170.5118 65 Y 5.5786 8.4037 115.4031 56.2494 42.1964 175.3783 66 R 4.5649 9.1042 124.0237 56.2746 31.6641 175.2414 67 I 5.2797 8.7186 118.3903 59.3573 41.7411 173.8908 68 T 5.1132 8.6482 111.9318 60.1779 72.3922 172.4627 69 A 4.7550 8.4455 122.2394 50.7676 23.1551 174.9511 70 N 5.0790 8.6159 117.4097 51.6314 41.1396 174.5027 71 Q 4.2950 8.1678 123.9724 55.3465 29.7520 175.6621 72 K 3.9124 9.1648 129.4885 56.9445 33.2884 175.1480 73 S 4.7760 8.3391 122.5226 56.8282 63.6059 173.2770 74 F 4.5393 9.3623 128.0040 56.3868 38.9494 176.2194 75 S 4.3960 8.8062 118.9597 57.5560 64.1796 175.4270 76 K 3.9577 8.7664 121.5107 59.7884 31.8376 178.2866 77 E 3.9220 8.2890 118.4329 59.9885 29.1882 179.2913 78 E 4.0391 7.9747 116.6000 59.5943 29.6711 179.4247 79 I 4.0068 7.5989 120.0842 63.7487 37.0015 177.2614 80 E 4.5349 7.8201 115.6639 56.6169 30.1190 177.2583 81 A 4.6255 7.5639 122.1918 52.4260 19.5142 177.9274 82 L 4.1281 7.2837 117.9709 54.1413 41.4520 176.7156 83 K 4.2030 8.5558 125.5800 56.9022 33.2661 175.9332 84 D 4.5405 8.8284 123.4319 55.2942 38.2168 173.3373 85 Q 4.9946 8.0625 115.9415 54.3990 32.7523 175.0332 86 K 4.7169 8.6305 123.7594 53.6197 34.6244 174.5782 87 P 4.2812 0.0000 0.0000 61.9517 32.2753 176.3976 88 L 4.6333 8.1855 120.5855 54.1740 42.4587 175.7363 *90 D 4.3875 7.5929 118.9448 53.4797 41.8876 173.7980 *92 P 4.3279 0.0000 0.0000 63.9138 32.4093 175.9459 93 S 4.5994 8.0148 112.1242 57.3807 66.0237 173.2465 94 D 4.4952 8.8884 119.1515 58.0467 40.6382 177.7845 95 D 4.3893 8.1726 116.5635 56.8608 41.2497 175.6605 96 H 4.8622 8.0351 117.7278 54.6831 31.4246 173.6652 97 K 4.5042 7.8016 121.7054 54.7461 36.0905 176.6539 98 V 4.2057 8.2977 122.4843 61.6854 31.1511 175.9850 99 T 4.9105 8.2958 116.8502 61.7481 69.6042 174.8195 100 S 4.8914 7.8108 116.4930 56.4491 64.6514 173.6801 101 L 4.2166 8.6156 127.5665 54.4934 43.5531 175.8119 102 K 4.5832 7.7086 119.3731 55.8438 35.7432 174.1704 *104 K 4.2410 8.6056 127.5299 56.2169 33.7070 174.3564 105 F 4.9907 8.4974 125.6979 57.2070 39.2847 175.2482 106 A 4.2576 8.8020 126.4785 54.7788 18.4796 177.5858 107 N 4.9821 8.0030 110.7271 50.3842 41.3173 172.8674 108 P 4.6688 0.0000 0.0000 63.0863 32.6068 175.4855 109 I 4.3889 8.0009 121.7862 59.3546 39.2089 175.0089 110 A 4.3437 8.6139 129.4364 52.0947 18.7949 176.8063 111 L 4.6040 8.9213 122.9027 53.2407 44.0813 176.3088 112 S 4.5558 7.7894 115.5018 57.0535 63.1114 173.8891 113 K 4.1302 8.0679 122.9062 58.1875 32.2503 178.4507 114 K 4.3185 7.7593 118.9126 57.0269 33.3742 176.8637 115 D 4.8999 7.7313 118.4202 53.8116 41.8797 177.7181 116 I 3.7598 7.9817 119.7092 63.8222 37.8381 176.8696 117 E 3.9670 8.0711 118.7128 59.5507 29.3433 178.9270 118 D 4.3997 8.0322 118.3606 57.5640 41.0852 178.3495 119 D 4.3532 8.0701 118.6819 57.2059 40.7637 178.9024 120 A 4.0585 8.2216 121.2571 55.3928 18.5044 179.6499 121 Q 4.2905 8.3858 116.4127 59.1170 28.8024 178.9351 122 A 3.9935 8.2825 121.8865 55.0432 18.3552 179.3535 123 L 3.7901 7.7717 118.4573 58.3809 42.3421 179.3091 124 V 3.2558 7.6321 118.0063 65.9334 31.0896 178.2386 125 S 4.1124 7.8187 113.9106 61.6087 62.8835 176.5019 126 S 4.2535 7.9414 115.4290 61.0875 62.9464 175.2574 127 K 4.3838 8.2011 119.5645 55.8758 33.1028 176.3326 128 I 4.3300 7.2299 120.2993 58.6689 39.1740 174.5579 129 Q 3.9972 8.7738 124.3257 57.8546 29.2034 176.2968 130 D 4.5670 9.2799 123.5275 55.1616 38.9319 175.8458 131 G 3.8572 8.2297 111.1977 48.8055 0.0000 176.4424 132 E 4.0788 8.1834 116.2734 58.3318 29.9715 178.0274 133 K 4.0840 8.4027 119.1782 58.1288 32.4431 175.9615 134 Y 5.1365 8.0547 117.2524 56.1701 39.5586 174.6367 135 K 4.8536 9.3485 125.7749 54.1285 34.8796 175.0822 136 L 3.2428 8.7603 129.1424 55.4944 42.1894 174.8379 137 W 4.6955 8.9294 133.9583 58.2352 32.5228 175.3228 138 K 4.2565 7.5014 119.4928 54.6756 35.4993 174.0644 139 V 4.3601 8.2163 126.7888 61.4980 32.9983 174.5693 140 D 4.7342 8.6636 129.1085 52.3867 42.0859 176.6577 141 K 4.0941 8.6006 126.8665 58.9966 32.7010 180.0473 142 S 4.1120 8.2759 112.8134 61.0127 62.8787 175.1367 143 K 4.2649 8.0489 117.2133 55.0975 32.7437 176.3376 144 K 3.9045 7.8064 118.5541 56.7195 30.3307 174.4377 145 E 5.7714 8.2599 114.7469 54.8838 33.7764 175.2237 146 I 4.9101 8.4929 123.1631 59.9410 40.0865 174.4489 147 I 5.1475 8.5667 126.0910 59.6251 40.7576 174.3883 148 F 5.2738 9.7335 125.6960 55.7801 42.1769 174.3671 149 F 5.6866 9.1548 121.4216 55.7931 41.4394 175.4614 150 Q 4.4115 9.2565 124.5217 56.4846 30.2265 174.7172 151 T 5.0701 8.0933 113.0640 60.2398 72.5916 172.7699 152 Y 4.2042 8.9981 122.3044 57.0900 41.6481 174.7771 153 E 3.5327 9.2020 128.1592 57.2994 27.0348 175.6284 154 G 3.8409 8.0468 105.9339 45.3372 0.0000 173.0240 155 H 5.0013 7.6228 116.2407 54.0586 31.8737 174.1134 156 Y 4.3705 8.2334 117.4624 58.2854 39.1985 175.4546 157 I 4.5807 8.0747 124.2629 59.9804 37.1782 174.6158 158 Y 3.5762 8.6076 125.7335 57.6690 38.1672 175.5907 159 Q 4.4166 6.7797 121.6251 53.4879 33.0537 174.8469 160 K 4.3699 8.3441 118.5019 56.7630 32.7017 177.3309 161 T 4.8640 8.3881 110.8592 61.8665 70.4105 174.5601 162 D 5.0515 7.6688 129.3942 54.2672 38.9617 179.8639 163 N 4.5261 8.9037 128.3598 53.3784 37.2380 173.3333 164 P 4.4530 0.0000 0.0000 63.7533 31.7130 178.0886 165 S 4.2467 8.0447 115.1007 61.4588 62.8958 174.5332 166 N 4.5595 7.3386 118.8412 51.9152 36.7077 174.3188 *168 I 4.2387 7.9040 115.6925 60.4686 40.0324 177.4076 169 G 4.4698 7.4950 107.3744 44.8076 0.0000 171.6201 170 Q 5.5871 9.6292 123.8536 54.8441 34.7508 173.7141 171 V 4.7181 8.6277 119.6453 61.1703 34.6416 174.2868 172 V 4.8818 8.7389 128.0341 61.1590 34.0348 174.1134 173 L 4.8664 9.2776 129.1203 54.2837 43.4214 175.4038 174 H 5.1965 9.0833 120.9663 54.2065 30.7098 173.9248 175 L 5.4882 8.5095 122.8237 52.5157 44.6496 175.5434 176 N 4.8873 8.6972 117.5783 53.6398 42.6692 175.9180 177 G 3.9473 8.5828 110.2929 45.6991 0.0000 174.4491 178 K 4.0140 9.0486 123.1493 58.0000 32.8740 177.9391 179 N 4.0886 7.3794 121.1650 51.7255 34.7106 171.7110 180 E 5.0647 8.7778 118.2596 54.1448 34.3812 175.2495 181 V 4.1408 8.7723 125.5041 63.1267 32.2577 176.4014 182 V 4.2757 9.0777 128.5579 64.7931 33.6416 175.0755 183 S 4.8504 7.9134 113.0662 58.2572 65.7874 173.0397 184 Y 5.3714 7.6445 115.8671 56.2042 41.1242 173.1771 185 D 5.1068 8.9190 120.3274 52.7422 44.0670 175.2424 186 Q 5.2249 8.4893 122.3903 54.6833 32.4950 173.8443 187 T 5.4067 9.3919 115.3046 60.5568 72.8177 172.8344 188 T 4.9276 8.6060 118.6936 62.0930 73.1802 172.5041 189 L 5.0908 8.6061 124.8868 53.1277 43.9574 175.4391 190 E 4.4398 8.1481 119.5862 54.3246 33.8404 174.7237 191 T 3.3860 8.1116 113.0759 64.7347 65.6332 173.0541 192 F 4.4795 7.9157 118.6134 57.4417 40.2086 176.9606 193 K 4.6795 8.8639 122.2826 54.6287 35.8462 175.0779 194 Q 4.8444 8.6203 123.0268 54.9623 29.3470 175.4884 195 I 4.4246 8.3662 116.9177 60.6060 39.6235 175.4982 196 Q 4.5621 7.7647 120.3354 55.3463 32.1731 172.4083 197 K 4.9091 9.0585 126.7992 56.4203 34.2387 175.7735 198 E 4.7874 8.7459 121.6875 54.4308 35.0402 174.3067 199 S 4.4994 8.5056 115.9792 58.4673 63.3733 173.4597 200 L 5.0038 9.1549 128.1905 53.9402 42.9007 176.4372 201 I 4.4155 8.6339 115.4022 60.2773 39.2100 175.9841 202 T 4.2227 8.8776 113.9495 61.1580 69.6341 175.5682 203 E 2.5894 7.6048 118.9262 57.6655 29.7111 178.9758 *205 D 4.3823 8.2513 120.1809 54.3701 43.0654 177.7855 206 A 3.9518 7.6521 120.6150 55.0840 18.2161 179.9074 207 V 3.4439 7.4074 116.4650 66.1005 31.5797 178.0761 208 E 3.9444 7.9546 117.8920 59.2464 29.2958 178.9116 209 L 4.0022 8.1794 120.6367 58.1154 42.1449 178.9593 210 L 3.8135 7.7039 118.4311 57.8675 41.4533 178.8995 211 Y 3.9479 7.9733 119.2639 60.9503 38.5760 177.1316 212 Y 4.1680 8.2627 119.3782 60.7392 38.7724 177.3830 213 Q 4.1972 7.7609 116.3390 55.2074 29.8096 174.9727 214 N 3.9532 7.7803 116.3160 54.8290 37.8581 174.9425 215 Q 4.3218 7.6460 115.7518 55.8970 29.7824 176.0723 216 L 4.5396 7.4879 117.7749 52.8868 43.3827 176.5415 217 K 4.2320 8.1679 122.5965 55.3636 33.0327 176.4008 218 E 4.3004 8.6055 120.3934 58.2962 29.8298 176.3410 219 Y 4.0985 8.4843 116.8393 58.1077 36.4355 170.6505 220 S 5.0601 7.5196 112.7284 57.6937 65.8872 172.7063 221 T 4.9876 8.9248 117.7736 61.8914 71.2853 173.8763 222 V 4.3287 8.7663 127.3370 61.9268 30.9040 175.6519 223 K 4.4249 8.9575 129.3809 59.1187 32.9415 177.6915 224 S 4.6295 7.7551 111.7475 57.8315 66.0393 173.9561 225 C 4.8616 8.6656 121.1832 57.8639 31.8640 172.6862 226 K 4.9428 9.1854 122.8981 54.7879 34.3038 175.0609 227 F 4.9438 8.8387 124.7860 57.1372 41.6250 175.5959 228 G 3.9497 5.5640 108.0488 46.6181 0.0000 171.4469 229 Y 5.2384 8.1683 116.1192 56.2996 42.4867 175.3309 230 V 4.7859 8.6737 113.6522 59.2206 36.4115 174.8742 231 A 4.3657 8.4621 125.1572 52.2504 18.0569 177.3673 232 Q 4.2541 8.9537 125.7167 57.1804 30.0065 175.4117 233 Y 4.8216 6.8718 118.2151 56.4032 40.1325 170.7261 234 P 5.0717 0.0000 0.0000 62.3892 34.1768 176.2228 235 L 4.5196 8.8196 113.2301 55.6742 45.5394 176.3241 236 T 3.2371 7.8697 124.3034 64.8434 67.3318 175.0507 237 S 4.2455 8.5570 124.8064 61.0565 62.8188 173.1087 238 T 4.6999 7.6390 117.3814 63.4511 69.9225 173.6498 239 Q 4.8043 8.9466 124.8629 54.0724 31.9134 174.5519 240 V 4.6021 7.8121 122.8795 61.1250 33.8476 174.3465 241 L 5.2601 9.1185 127.2281 52.8287 45.0326 175.2820 242 A 5.2860 8.6873 124.9159 49.1660 22.2219 174.0329 243 P 4.0179 0.0000 0.0000 62.8421 32.8267 175.6422 244 V 4.7568 7.7735 113.7633 59.6621 36.7150 173.9775 245 W 4.9285 9.3502 123.1146 55.5774 31.4165 175.6415 246 R 4.7499 9.6644 126.2202 54.9811 30.3609 173.7313 247 I 4.9651 8.8481 127.2431 60.1640 39.2113 174.7812 248 T 4.9770 8.6088 123.8727 62.0214 70.6646 174.0480 249 V 5.1818 8.6271 125.2551 61.1124 35.4077 173.9640 250 E 5.4265 9.4591 123.8935 55.1650 33.5312 173.6564 251 Y 5.1791 8.3709 118.2299 56.0764 42.1015 173.6249 252 E 4.7827 8.8173 119.1342 55.5916 31.1775 177.2814 253 K 4.2314 8.3135 120.5797 55.1565 32.7236 175.2604 *258 E 4.2379 8.1213 118.8724 55.5061 29.3783 174.1010 259 K 4.4393 8.1902 123.4360 54.9964 33.3076 176.5132 260 K 4.5134 8.3627 123.6517 54.9487 35.3681 175.1337 261 T 4.4658 8.4879 123.8929 62.6599 68.4618 173.8264 262 V 4.1996 8.0378 126.8712 61.1916 33.7367 174.5078 263 Q 5.1631 8.4227 124.3785 54.1221 31.9909 174.6617 264 E 4.5606 8.9013 120.7296 54.6627 33.6186 174.3305 265 Y 5.1023 8.2956 120.2381 56.2214 40.4726 175.0573 266 F 5.0982 9.4109 122.6426 55.9346 42.9667 174.5420 267 T 5.0103 8.7256 117.8323 62.0174 71.0165 173.3440 268 V 4.4437 8.7755 127.5354 60.6683 34.0254 174.3670 269 N 4.6698 8.8651 126.7599 53.9379 38.9435 174.5229 270 A 4.3995 9.0401 128.3465 53.7990 19.9093 177.0037 271 L 4.3360 7.8174 116.1347 54.5836 42.4987 176.4054 272 E 4.4375 8.7295 126.2632 54.4205 29.8662 177.1634 273 S 4.7148 7.9430 125.4744 57.4145 63.2127 174.7000 274 T 4.0358 7.9776 112.7033 64.7794 69.6737 175.3168 275 I 4.3644 7.5541 122.9820 59.0764 38.4333 175.2080 276 L 4.4440 8.4884 125.1973 55.8526 42.8127 176.2186 277 D 4.7915 7.5966 114.8743 53.1220 44.3102 174.7637 278 T 4.2294 8.2119 119.0667 63.8629 69.4843 173.9853 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 34 K 8.17 4.07 0.00 1.70 1.82 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 35 E 8.28 3.95 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 36 Y 7.82 4.17 0.00 3.23 3.16 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 37 E 7.39 3.80 0.00 1.96 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 2.21 2.31 0.00 38 V 7.65 3.52 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 1.00 0.00 0.00 0.88 0.00 0.00 39 I 7.55 3.76 1.90 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 1.80 0.70 0.91 0.00 0.00 40 K 8.86 3.96 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.69 7.81 41 N 8.09 4.61 0.00 2.92 3.28 0.00 0.00 7.02 9.28 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 42 D 8.11 4.26 0.00 2.93 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 43 V 7.74 3.67 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 0.85 0.00 0.00 1.07 0.00 0.00 44 E 8.37 4.02 0.00 2.15 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 2.36 2.44 0.00 45 H 8.13 4.34 0.00 3.37 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.10 4.54 0.00 3.01 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 *48 K 8.12 4.07 0.00 1.77 1.78 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 49 A 8.37 3.83 1.32 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 0.00 0.00 50 D 8.11 4.57 0.00 2.78 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 51 H 7.38 3.86 0.00 2.38 2.94 0.00 5.60 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 52 I 7.52 4.81 1.78 0.00 0.00 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 1.38 0.70 0.96 0.00 0.00 53 T 8.55 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 54 Y 7.62 5.23 0.00 2.88 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 55 E 8.65 4.52 0.00 1.94 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 2.12 2.27 0.00 56 G 8.63 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 57 L 7.59 4.65 0.00 1.65 1.48 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.22 4.25 0.00 2.81 2.58 0.00 0.00 6.73 6.45 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 59 K 8.58 4.27 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.41 7.81 60 E 8.18 4.47 0.00 2.15 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 2.28 2.38 0.00 61 A 8.42 4.40 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.39 4.74 4.19 0.00 0.00 0.00 0.00 0.00 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 63 E 8.70 4.87 0.00 1.72 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 2.18 0.00 64 G 8.76 4.16 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 0.00 65 Y 8.40 5.58 0.00 3.01 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 R 9.10 4.56 0.00 1.97 1.83 0.00 3.08 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 67 I 8.72 5.28 1.70 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.81 0.00 0.00 68 T 8.65 5.11 4.13 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 0.00 0.00 0.00 1.15 0.00 0.00 69 A 8.45 4.76 0.44 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 0.00 0.00 70 N 8.62 5.08 0.00 2.45 2.60 0.00 0.00 6.90 7.44 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 71 Q 8.17 4.29 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 72 K 9.16 3.91 0.00 1.70 1.52 0.00 1.54 0.00 0.00 1.33 0.00 0.00 2.56 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.78 7.81 73 S 8.34 4.78 0.00 3.86 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 74 F 9.36 4.54 0.00 3.06 3.02 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 75 S 8.81 4.40 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.77 3.96 0.00 1.86 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.54 7.81 77 E 8.29 3.92 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 78 E 7.97 4.04 0.00 2.27 2.21 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 2.41 2.40 0.00 79 I 7.60 4.01 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.86 0.00 0.00 80 E 7.82 4.53 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 81 A 7.56 4.63 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 82 L 7.28 4.13 0.00 1.70 1.82 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.56 4.20 0.00 1.75 1.74 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 84 D 8.83 4.54 0.00 3.02 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 85 Q 8.06 4.99 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.74 0.00 86 K 8.63 4.72 0.00 1.55 1.64 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.47 7.81 87 P 0.00 4.28 0.00 1.98 1.94 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 88 L 8.19 4.63 0.00 1.55 1.56 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *90 D 7.59 4.39 0.00 2.51 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 0.00 0.00 0.00 0.00 *92 P 0.00 4.33 0.00 2.24 2.16 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.20 0.00 93 S 8.01 4.60 0.00 3.96 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 94 D 8.89 4.50 0.00 2.67 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 95 D 8.17 4.39 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 96 H 8.04 4.86 0.00 3.28 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.80 4.50 0.00 1.67 1.61 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 98 V 8.30 4.21 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 0.93 0.00 0.00 1.07 0.00 0.00 99 T 8.30 4.91 4.29 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 1.22 0.00 0.00 100 S 7.81 4.89 0.00 3.89 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 0.00 101 L 8.62 4.22 0.00 1.26 1.17 0.47 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.71 4.58 0.00 1.68 1.45 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.45 7.81 *104 K 8.61 4.24 0.00 1.78 1.73 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.60 7.81 105 F 8.50 4.99 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.80 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.00 4.98 0.00 2.68 2.72 0.00 0.00 6.91 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.67 0.00 2.10 2.13 0.00 3.76 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 2.00 2.03 0.00 109 I 8.00 4.39 1.62 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.43 0.77 0.00 0.00 110 A 8.61 4.34 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.92 4.60 0.00 1.60 1.61 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.79 4.56 0.00 4.07 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 0.00 113 K 8.07 4.13 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 114 K 7.76 4.32 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 115 D 7.73 4.90 0.00 2.73 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 0.00 116 I 7.98 3.76 2.12 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 1.65 1.20 0.90 0.00 0.00 117 E 8.07 3.97 0.00 2.04 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 2.34 2.36 0.00 118 D 8.03 4.40 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 0.00 119 D 8.07 4.35 0.00 2.96 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 0.00 120 A 8.22 4.06 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 0.00 0.00 0.00 0.00 0.00 121 Q 8.39 4.29 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 122 A 8.28 3.99 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 0.00 123 L 7.77 3.79 0.00 1.88 1.79 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.63 3.26 1.71 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 0.51 0.00 0.00 -0.27 0.00 0.00 125 S 7.82 4.11 0.00 3.91 3.92 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 0.00 126 S 7.94 4.25 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.20 4.38 0.00 1.90 2.01 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.35 7.81 128 I 7.23 4.33 1.83 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.29 0.66 0.00 0.00 129 Q 8.77 4.00 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 130 D 9.28 4.57 0.00 3.16 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.23 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.18 4.08 0.00 2.12 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 2.29 2.29 0.00 133 K 8.40 4.08 0.00 1.69 1.69 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.49 7.81 134 Y 8.05 5.14 0.00 3.15 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 0.00 135 K 9.35 4.85 0.00 1.75 1.76 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.43 1.39 7.81 136 L 8.76 3.24 0.00 0.75 1.35 0.42 0.84 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 0.00 137 W 8.93 4.70 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.50 4.26 0.00 1.23 1.45 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.18 7.81 139 V 8.22 4.36 2.01 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 0.80 0.00 0.00 0.86 0.00 0.00 140 D 8.66 4.73 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 0.00 141 K 8.60 4.09 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.41 7.81 142 S 8.28 4.11 0.00 3.98 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 0.00 143 K 8.05 4.26 0.00 1.75 1.92 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 144 K 7.81 3.90 0.00 2.01 1.98 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.37 7.81 145 E 8.26 5.77 0.00 2.10 2.01 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 2.21 2.15 0.00 146 I 8.49 4.91 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.91 0.00 0.00 147 I 8.57 5.15 1.88 0.00 0.00 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 1.29 0.70 0.85 0.00 0.00 148 F 9.73 5.27 0.00 3.05 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 0.00 149 F 9.15 5.69 0.00 3.11 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 9.26 4.41 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.61 0.00 0.00 0.00 0.00 0.00 2.27 1.82 0.00 151 T 8.09 5.07 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 0.00 152 Y 9.00 4.20 0.00 2.24 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 0.00 0.00 0.00 0.00 153 E 9.20 3.53 0.00 1.53 1.68 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 1.67 1.47 0.00 154 G 8.05 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 0.00 0.00 0.00 155 H 7.62 5.00 0.00 3.34 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.23 4.37 0.00 1.85 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 0.00 0.00 0.00 157 I 8.07 4.58 1.86 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 1.17 0.50 0.80 0.00 0.00 158 Y 8.61 3.58 0.00 2.76 2.60 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 0.00 159 Q 6.78 4.42 0.00 1.38 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.01 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 160 K 8.34 4.37 0.00 1.77 1.77 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 161 T 8.39 4.86 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 1.46 0.00 0.00 162 D 7.67 5.05 0.00 2.72 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 0.00 0.00 0.00 163 N 8.90 4.53 0.00 2.92 3.00 0.00 0.00 5.98 7.76 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 0.00 164 P 0.00 4.45 0.00 2.09 2.16 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 165 S 8.04 4.25 0.00 4.05 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 0.00 0.00 0.00 0.00 166 N 7.34 4.56 0.00 2.56 2.79 0.00 0.00 7.04 7.33 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 *168 I 7.90 4.24 1.83 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 1.30 0.49 0.88 0.00 0.00 169 G 7.49 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 9.63 5.59 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 171 V 8.63 4.72 1.54 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 0.53 0.00 0.00 -0.32 0.00 0.00 172 V 8.74 4.88 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 0.85 0.00 0.00 1.01 0.00 0.00 173 L 9.28 4.87 0.00 1.69 1.66 1.03 0.80 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 0.00 174 H 9.08 5.20 0.00 3.13 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.51 5.49 0.00 1.55 1.71 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.70 4.89 0.00 2.64 2.65 0.00 0.00 7.09 7.98 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 0.00 177 G 8.58 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 0.00 178 K 9.05 4.01 0.00 1.84 1.76 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.46 7.81 179 N 7.38 4.09 0.00 2.70 2.88 0.00 0.00 6.88 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 0.00 180 E 8.78 5.06 0.00 2.12 1.81 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 2.21 2.35 0.00 181 V 8.77 4.14 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 1.24 0.00 0.00 0.98 0.00 0.00 182 V 9.08 4.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 183 S 7.91 4.85 0.00 3.74 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 0.00 184 Y 7.64 5.37 0.00 3.08 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 0.00 185 D 8.92 5.11 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.49 5.22 0.00 2.21 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 187 T 9.39 5.41 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 1.34 0.00 0.00 188 T 8.61 4.93 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 1.30 0.00 0.00 189 L 8.61 5.09 0.00 1.63 1.01 0.85 0.65 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 0.00 190 E 8.15 4.44 0.00 1.88 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 2.15 2.12 0.00 191 T 8.11 3.39 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 192 F 7.92 4.48 0.00 2.89 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 0.00 193 K 8.86 4.68 0.00 1.59 1.62 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 194 Q 8.62 4.84 0.00 1.70 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 195 I 8.37 4.42 1.89 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 1.24 0.69 0.89 0.00 0.00 196 Q 7.76 4.56 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 197 K 9.06 4.91 0.00 1.80 2.08 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 198 E 8.75 4.79 0.00 1.89 1.81 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 2.23 2.36 0.00 199 S 8.51 4.50 0.00 3.88 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 0.00 200 L 9.15 5.00 0.00 1.71 1.80 0.94 0.80 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 0.00 201 I 8.63 4.42 1.91 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 1.70 0.74 0.95 0.00 0.00 202 T 8.88 4.22 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 1.30 0.00 0.00 203 E 7.60 2.59 0.00 1.77 1.56 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 1.47 1.73 0.00 *205 D 8.25 4.38 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 7.65 3.95 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 0.00 207 V 7.41 3.44 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 0.78 0.00 0.00 0.80 0.00 0.00 208 E 7.95 3.94 0.00 2.13 1.95 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 2.25 2.17 0.00 209 L 8.18 4.00 0.00 1.97 1.73 0.83 0.89 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 0.00 210 L 7.70 3.81 0.00 1.77 1.31 0.61 0.16 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 0.00 211 Y 7.97 3.95 0.00 3.00 3.12 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 0.00 212 Y 8.26 4.17 0.00 2.97 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 Q 7.76 4.20 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 214 N 7.78 3.95 0.00 2.61 2.73 0.00 0.00 7.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Q 7.65 4.32 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.41 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 216 L 7.49 4.54 0.00 1.74 1.64 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.17 4.23 0.00 1.41 1.52 0.00 0.76 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.02 7.81 218 E 8.61 4.30 0.00 2.08 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 0.00 2.42 2.40 0.00 219 Y 8.48 4.10 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 S 7.52 5.06 0.00 4.13 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 T 8.92 4.99 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 1.26 0.00 0.00 222 V 8.77 4.33 2.19 0.00 0.00 0.00 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 0.99 0.00 0.00 223 K 8.96 4.42 0.00 1.85 1.90 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.55 7.81 224 S 7.76 4.63 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 C 8.67 4.86 0.00 2.91 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 0.00 226 K 9.19 4.94 0.00 2.13 2.09 0.00 1.96 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.80 7.81 227 F 8.84 4.94 0.00 2.99 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 0.00 228 G 5.56 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 0.00 229 Y 8.17 5.24 0.00 2.81 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 0.00 230 V 8.67 4.79 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 0.74 0.00 0.00 0.96 0.00 0.00 231 A 8.46 4.37 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 4.25 0.00 1.83 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 233 Y 6.87 4.82 0.00 3.15 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 0.00 234 P 0.00 5.07 0.00 2.12 2.14 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 235 L 8.82 4.52 0.00 1.78 1.61 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 236 T 7.87 3.24 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 1.20 0.00 0.00 237 S 8.56 4.25 0.00 3.81 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 0.00 238 T 7.64 4.70 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 1.13 0.00 0.00 239 Q 8.95 4.80 0.00 1.77 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 240 V 7.81 4.60 1.10 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 0.71 0.00 0.00 0.84 0.00 0.00 241 L 9.12 5.26 0.00 1.40 1.48 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 242 A 8.69 5.29 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 P 0.00 4.02 0.00 1.61 1.59 0.00 3.63 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 244 V 7.77 4.76 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 0.74 0.00 0.00 0.87 0.00 0.00 245 W 9.35 4.93 0.00 3.31 3.12 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 0.00 246 R 9.66 4.75 0.00 1.71 1.84 0.00 3.26 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 247 I 8.85 4.97 2.06 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 1.29 0.78 1.01 0.00 0.00 248 T 8.61 4.98 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 1.13 0.00 0.00 249 V 8.63 5.18 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 1.29 0.00 0.00 1.09 0.00 0.00 250 E 9.46 5.43 0.00 2.08 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 2.20 2.25 0.00 251 Y 8.37 5.18 0.00 3.17 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 0.00 252 E 8.82 4.78 0.00 1.91 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 2.32 2.24 0.00 253 K 8.31 4.23 0.00 1.64 1.59 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.45 7.81 *258 E 8.12 4.24 0.00 1.98 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 2.17 2.33 0.00 259 K 8.19 4.44 0.00 1.76 1.81 0.00 1.77 0.00 0.00 2.26 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.36 7.81 260 K 8.36 4.51 0.00 1.79 1.53 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.42 7.81 261 T 8.49 4.47 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 262 V 8.04 4.20 1.49 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 0.71 0.00 0.00 0.79 0.00 0.00 263 Q 8.42 5.16 0.00 1.68 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.48 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 264 E 8.90 4.56 0.00 1.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.31 0.00 265 Y 8.30 5.10 0.00 2.75 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 0.00 266 F 9.41 5.10 0.00 3.05 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 0.00 267 T 8.73 5.01 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 1.18 0.00 0.00 268 V 8.78 4.44 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 1.06 0.00 0.00 1.00 0.00 0.00 269 N 8.87 4.67 0.00 2.79 2.75 0.00 0.00 7.11 7.96 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 0.00 270 A 9.04 4.40 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 L 7.82 4.34 0.00 1.71 1.63 0.94 0.92 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 0.00 272 E 8.73 4.44 0.00 2.00 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 2.25 2.22 0.00 273 S 7.94 4.71 0.00 3.97 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 0.00 274 T 7.98 4.04 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 0.00 275 I 7.55 4.36 1.86 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 1.41 0.61 0.91 0.00 0.00 276 L 8.49 4.44 0.00 1.63 1.72 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 277 D 7.60 4.79 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 T 8.21 4.23 4.25 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.