NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0501 7.9133 120.3886 62.9588 33.6851 177.3630 8 K 3.7319 8.1316 118.8407 59.6204 31.9473 175.6446 9 E 3.9799 8.8200 120.2069 59.8273 29.8677 179.3215 10 L 3.9593 7.7967 117.9235 58.3123 41.6568 178.9313 11 L 3.9589 7.7897 118.8779 57.8589 41.0203 178.9009 12 E 3.8447 8.6595 117.3843 60.1981 29.5037 179.4689 13 A 3.3920 8.0689 121.6798 54.8695 18.4250 179.5048 14 G 3.8573 7.4467 103.7063 46.7820 0.0000 175.1169 15 V 4.6312 7.2459 109.5462 59.8790 34.2712 174.2710 16 H 4.8818 8.7340 111.0966 56.3206 31.6612 173.5412 17 F 4.9919 8.4147 114.5581 54.9926 40.9437 171.5868 18 G 3.5967 8.7711 111.6872 46.1086 0.0000 170.5895 19 H 4.9813 8.1819 126.0664 54.9216 32.9015 175.4890 20 E 4.0298 8.9846 114.9928 56.4803 30.1690 174.8446 21 R 4.6032 8.2409 117.8412 55.1745 32.8185 175.3290 22 K 3.7114 8.9184 120.5935 57.4132 29.9268 174.8934 23 R 4.8093 7.7322 114.4526 55.5900 31.4551 177.4665 24 W 4.6713 8.4386 113.8391 56.6171 28.2501 176.3425 25 N 4.0612 8.6268 107.0434 52.3785 39.7019 174.1826 26 P 2.9700 0.0000 0.0000 64.4179 32.2822 178.9005 27 K 3.6891 7.3792 117.9010 59.3990 31.9748 177.1128 28 F 4.4751 8.4450 118.8402 58.3251 39.2018 176.1945 29 A 4.3937 7.8636 125.3081 54.2646 18.5160 180.8254 30 R 3.7757 7.6548 111.1958 58.6667 29.6242 176.4430 31 Y 4.9277 6.5116 116.7577 56.1326 37.6878 175.3307 32 I 4.5770 7.2173 117.0603 60.4270 41.6049 172.7254 33 Y 4.3055 8.6060 127.7605 58.7362 39.9480 174.9322 34 A 4.3979 7.1883 119.8887 52.2485 22.2331 174.0283 35 E 5.8037 8.2898 109.1448 53.3866 29.6794 175.2632 36 R 3.9853 7.8832 120.7753 56.8214 31.0787 176.3931 37 N 3.8805 10.1129 120.3959 54.6009 37.7392 173.3312 38 G 4.2216 8.4832 105.8650 45.5861 0.0000 175.5381 39 I 3.7192 7.4810 120.4018 61.1534 37.9045 175.1017 40 H 4.8223 8.3804 120.3568 55.5510 29.5930 174.7498 41 I 4.1559 8.4291 126.4100 59.4902 38.1184 175.6954 42 I 4.2220 8.3041 128.0148 60.6226 38.7039 175.4003 43 D 4.6236 8.8804 127.2697 53.9210 40.7630 176.7294 44 L 4.0938 8.7176 128.2710 57.7886 41.8080 178.7820 45 Q 3.9224 8.2450 119.1130 59.5781 28.4623 178.8946 46 K 4.1719 8.0483 119.0034 59.3201 32.1375 178.8700 47 T 3.8236 8.0843 116.7204 66.6673 68.2223 175.9708 48 M 4.2827 7.9851 119.4800 58.8465 32.2880 177.9188 49 E 3.9433 7.6618 115.7283 58.7154 29.8043 178.2404 50 E 4.4497 7.6731 117.7482 57.6811 30.5682 178.1431 51 L 3.9804 8.6690 120.3558 58.0864 41.6495 178.0787 52 E 3.9660 9.4691 117.9062 59.1232 29.1684 178.5059 53 R 3.8266 8.3279 116.9889 60.1591 30.6559 178.2126 54 T 3.7602 7.7637 114.8214 66.7357 68.4487 176.4239 55 F 4.1977 8.2980 119.7223 60.9194 38.7207 177.8552 56 R 3.8999 8.7368 118.3125 59.0492 29.8972 178.2499 57 F 4.1387 7.7318 119.2558 60.1574 39.8097 177.4404 58 I 3.5330 7.8336 119.8440 64.4791 36.9244 177.8009 59 E 3.8631 8.7915 120.0505 59.3820 29.3567 178.0145 60 D 4.4479 7.3631 114.5476 55.6049 41.4753 176.4246 61 L 4.2866 7.0277 118.2409 56.9012 43.2809 177.7083 62 A 3.9234 8.3534 122.3500 55.5053 18.3831 178.6205 63 M 4.5735 8.0386 110.3931 55.5452 31.1141 176.6367 64 R 4.4383 7.6600 113.1801 55.1058 30.8970 175.7011 65 G 3.9590 7.8794 105.2861 47.3046 0.0000 174.1012 66 G 4.1328 7.5595 104.7455 43.6347 0.0000 171.7154 67 T 4.4367 8.3642 113.8498 61.1240 70.9160 173.4284 68 I 4.7605 8.3126 123.6495 59.5149 40.3947 174.6571 69 L 4.7871 8.5015 129.3972 54.3020 43.1613 175.2788 70 F 5.7241 9.2279 125.6206 56.0336 40.9602 175.3632 71 V 5.0197 8.3830 121.5144 61.3863 34.9445 174.4625 72 G 4.2998 9.1603 114.9738 45.9207 0.0000 173.2427 73 T 4.8769 8.8416 115.5981 60.8312 69.8127 174.2207 74 K 4.4334 7.6355 122.7440 55.3004 34.4853 176.9420 75 K 3.8254 8.9509 124.4428 59.8518 32.0425 178.5468 76 Q 4.1518 8.1419 114.8644 58.2351 28.6686 176.8415 77 A 4.7108 8.0538 120.3346 51.9439 19.4243 177.3493 78 Q 4.2333 7.5597 119.7842 58.8348 29.7576 178.1015 79 D 4.3982 8.2975 117.5409 57.9269 41.3155 179.1846 80 I 3.9562 7.7365 107.8281 61.9398 37.3437 176.6511 81 V 4.1815 8.0263 120.5931 63.2782 32.3329 177.0763 82 R 3.1097 7.9317 118.5859 59.8964 29.8715 176.9730 83 M 4.1965 7.8982 119.1095 56.7113 32.1498 177.5714 84 E 4.0236 8.0009 120.1457 59.0349 29.9194 179.2878 85 A 3.8393 7.0018 120.6468 54.5032 19.3528 179.1859 86 E 3.9770 7.4621 116.4729 59.3519 29.2100 178.6762 87 R 4.3817 8.0754 116.7612 56.2974 29.7167 176.9922 88 A 4.4224 7.8617 114.1165 51.8547 21.3156 177.0479 89 G 4.0635 7.7197 104.5727 48.0241 0.0000 174.0616 90 M 4.9247 8.1875 116.7337 52.3201 35.2185 175.6628 91 P 4.8214 0.0000 0.0000 63.7803 32.9533 174.4471 92 Y 5.6387 7.9677 118.7903 56.5798 41.9086 174.4658 93 V 4.3916 9.2848 118.7805 61.7770 33.5932 174.8406 94 N 5.1263 9.1822 126.0333 53.6378 40.9551 175.7917 95 Q 4.6296 7.7923 121.0414 55.8854 27.7118 177.8387 96 R 4.1436 8.5977 128.4105 56.0793 29.2856 176.2191 97 W 4.1990 8.5691 134.2987 56.8221 28.5498 175.4216 98 L 3.7943 7.5434 123.6739 54.3610 41.4766 176.7816 99 G 3.7040 8.0230 108.1052 45.1284 0.0000 174.6784 100 G 3.8644 10.3137 110.7661 46.0792 0.0000 175.4186 101 M 3.7837 6.8635 121.8167 58.2895 31.6444 178.6134 102 L 4.2519 7.5976 116.7195 57.7353 42.4740 178.4704 103 T 4.0023 8.5791 115.9378 66.0237 68.7598 175.0278 104 N 4.8859 8.1387 121.1676 52.1227 38.1089 174.6219 105 F 4.9719 8.1130 124.8976 60.4882 40.3182 176.9018 106 K 3.9662 8.2042 117.2883 58.0450 32.2865 176.1222 107 T 4.6303 8.0245 112.6987 64.6434 70.8336 176.4271 108 I 3.8263 7.3867 121.0371 64.4114 37.0205 178.5107 109 S 4.0887 7.7728 114.9999 60.8474 62.2688 176.0098 110 Q 4.0622 8.3476 121.1174 57.7535 28.3045 177.4986 111 R 4.1583 7.7976 117.6219 56.7973 30.8657 178.3918 112 V 3.8132 7.4809 118.4993 66.1629 31.6633 177.2424 113 H 4.3089 8.3434 115.0711 57.8821 28.6448 176.8257 114 R 4.2364 7.4746 120.1911 57.5744 30.1963 177.9436 115 L 4.0519 7.8956 120.9092 58.0285 42.0805 178.4423 116 E 4.0555 8.0675 116.1601 58.5019 29.3313 178.5046 117 E 3.9824 7.6141 120.5855 59.2733 29.5778 178.8503 118 L 3.9644 7.5909 117.5968 57.1158 41.7635 178.4989 119 E 3.8817 8.1756 118.6091 59.1859 29.5571 178.2006 120 A 4.4748 7.7032 118.1763 52.8844 19.5371 177.8884 121 L 4.3686 7.0885 116.8549 55.2299 42.3035 177.7617 122 F 4.5147 7.9155 119.3142 60.9673 40.3029 176.0543 123 A 4.1209 7.7073 125.6652 50.4524 17.4746 175.7630 124 S 4.5054 7.4819 113.1054 57.4043 64.9664 173.2303 125 P 4.6148 0.0000 0.0000 63.1753 31.1979 177.4642 126 E 3.9253 7.6850 119.4830 58.3623 29.7748 178.4637 127 I 3.8779 7.5701 118.3064 62.9380 37.6418 176.3597 128 E 4.0843 7.4363 120.9355 58.7211 30.3365 177.3734 129 E 4.4333 7.4364 118.2140 53.7057 28.5527 177.1142 130 R 3.5632 8.8879 130.3405 56.4129 27.5351 173.9200 131 P 4.4013 0.0000 0.0000 62.3007 31.7855 177.4378 132 K 4.1526 8.5945 119.0533 59.1885 31.8339 178.6235 133 K 4.1215 8.0817 117.8847 58.5658 32.0590 177.7115 134 E 4.4295 8.5362 117.7133 56.5272 30.2156 177.9892 135 Q 4.0275 7.6399 118.5412 58.7706 29.3178 178.1131 136 V 3.6708 7.5442 118.8352 66.1999 31.4478 177.8406 137 R 3.9799 7.5340 115.7184 59.0632 29.8530 178.8667 138 L 4.2462 8.4286 119.1281 57.4310 41.6530 180.0256 139 K 4.0730 8.1231 119.0168 59.5932 32.1251 178.4780 140 H 4.0291 8.1915 118.3425 59.5316 29.9042 176.5287 141 E 3.9148 8.7805 121.1933 59.5253 29.2971 178.7347 142 L 3.9384 7.7416 120.0701 58.4303 42.0709 177.9595 143 E 3.8273 8.5505 118.6409 60.3240 29.4229 179.6975 144 R 3.5660 8.2310 115.6031 58.9040 29.4989 178.4136 145 L 3.8791 7.7114 120.9491 58.4209 41.8226 178.9390 146 Q 3.9206 8.4074 118.0666 58.7128 28.9800 177.5832 147 K 3.7952 7.6587 120.3705 59.8104 32.2199 177.7024 148 Y 4.6839 7.4044 113.8670 58.7468 38.3029 176.7994 149 L 4.8417 7.3308 119.0767 54.5873 43.0979 177.9487 150 S 4.2573 8.3466 118.0341 60.8109 63.2200 175.5349 151 G 2.7367 7.5958 106.5340 44.7426 0.0000 172.5457 152 F 4.8614 7.7516 123.7765 56.6658 37.8277 173.7454 153 R 4.3502 7.5949 121.5649 58.3345 35.4481 178.7592 154 L 2.7141 6.7914 108.7980 54.7665 42.9184 177.1087 155 L 4.2708 8.2400 124.3151 54.4779 43.1137 178.4963 156 K 4.5881 8.4054 127.8119 53.9154 30.7587 176.4080 157 R 4.4113 6.9289 116.1457 55.2180 33.1563 173.8164 158 L 3.8236 8.3452 123.7438 53.6792 41.8396 175.4204 159 P 4.2938 0.0000 0.0000 63.4386 31.5527 176.7087 160 D 4.7533 8.2957 121.0979 56.0568 41.1199 175.4626 161 A 5.1202 8.1324 120.0070 52.3180 23.8056 175.3305 162 I 5.2141 7.9828 111.6671 59.5144 40.8104 173.9441 163 F 5.4718 8.2458 128.9521 56.4339 41.4786 174.3108 164 V 4.6673 6.6377 121.5236 64.0086 34.7088 173.7141 165 V 3.7046 8.7190 120.9514 62.6297 31.9234 177.7575 166 D 4.4571 9.2497 135.0000 53.2281 41.6624 173.8648 167 P 4.1695 0.0000 0.0000 65.9867 31.1455 178.3961 168 T 3.8977 7.7653 108.3373 63.9279 68.9901 176.3666 169 K 4.0051 7.6906 121.9661 58.7225 33.4741 178.6280 170 E 4.5054 7.8781 118.5013 55.5070 28.6029 177.6949 171 A 4.1659 7.5506 124.4106 54.5966 18.8857 178.9718 172 I 3.5786 7.7572 117.6896 64.7372 37.1890 177.9004 173 A 2.6659 6.9655 120.2656 54.8717 17.9454 179.3466 174 V 3.3387 7.1114 116.1464 66.3011 31.2766 178.3102 175 R 3.7729 8.1041 118.4329 59.3418 30.0339 178.0209 176 E 3.9701 8.1507 118.1852 59.6016 29.5941 179.3273 177 A 3.9821 8.0491 120.3533 55.2990 18.4043 179.5087 178 R 3.7635 8.0570 117.2594 59.4944 29.8590 178.3403 179 K 3.9595 8.2324 118.1279 57.9055 32.2413 177.6974 180 L 4.4595 7.1284 116.9835 53.4995 41.9852 175.9498 181 F 4.0061 7.0754 114.6261 58.6674 37.0202 174.9370 182 I 4.4739 7.6682 120.6804 59.1903 38.3803 174.5621 183 P 4.5054 0.0000 0.0000 63.3900 32.7085 175.2561 184 V 4.6148 8.8504 123.6241 61.1555 33.9753 174.0340 185 I 5.6296 8.8214 122.1200 58.8511 40.1905 174.5139 186 A 4.0165 7.9905 123.6719 51.5544 22.5337 175.0806 187 L 5.1939 9.0041 122.6774 53.0240 41.9830 174.8347 188 A 4.6427 8.1493 126.9178 50.0093 21.4312 176.1688 189 D 4.9909 8.0537 122.6856 52.8811 41.4314 176.5646 190 T 3.7056 8.3273 106.0485 64.7989 69.2707 175.6272 191 D 4.7715 7.8968 120.0023 53.8634 40.7895 175.4525 192 S 4.4688 7.7738 112.4606 56.4621 67.0812 173.4878 193 D 4.7349 8.3886 124.3457 50.9870 40.9391 173.5189 194 P 4.0536 0.0000 0.0000 64.5661 30.7424 180.7284 195 D 3.9250 8.2632 114.6994 56.0932 42.6518 177.4659 196 L 4.3362 7.7015 119.2643 55.9074 40.9213 176.5986 197 V 4.2354 7.2423 118.9907 61.9230 33.6598 174.4293 198 D 4.1320 8.7596 127.5491 57.0555 40.9487 176.1195 199 Y 4.7280 8.1994 117.3299 56.2133 40.7562 174.2861 200 I 4.6955 8.5395 125.1341 59.6684 39.8576 176.0561 201 I 4.4410 9.1067 129.5532 58.6388 37.5954 171.5606 202 P 5.5513 0.0000 0.0000 60.8948 32.0220 176.8033 203 G 4.1971 9.0904 113.0986 44.1343 0.0000 170.4976 204 N 4.1325 8.1975 118.1714 53.9519 39.3179 173.8728 205 D 4.7959 7.9394 119.1993 53.2592 41.1583 174.7744 206 D 4.5477 7.8947 117.2025 56.1191 43.5628 176.1622 207 A 4.0442 7.8067 122.4432 52.1594 18.6082 178.2017 208 I 3.8650 8.5183 124.3862 64.0080 37.1240 177.9933 209 R 3.9990 7.9066 119.7676 59.4239 29.8599 178.5591 210 S 4.3873 7.9311 112.6018 61.0490 62.5636 176.3122 211 I 3.9221 7.7292 122.2162 63.9307 37.0149 177.4363 212 Q 4.0805 7.8811 120.4961 58.4242 28.7795 177.5389 213 L 4.0176 8.0684 121.4773 57.5191 41.9326 178.5004 214 I 4.2754 7.6671 118.9779 63.2448 37.6313 178.1006 215 L 4.2131 7.8634 119.8585 58.3064 41.4500 178.5739 216 S 4.8153 8.2518 114.1647 61.3186 62.1149 176.2059 217 R 4.0466 8.0795 120.8765 58.4232 29.8502 179.1840 218 A 4.2992 7.8208 121.3602 55.4131 18.2756 179.8290 219 V 3.6205 8.2436 116.4455 65.4902 31.3484 177.7556 220 D 4.3607 8.4204 118.3089 56.5904 40.7885 177.4370 221 L 4.2268 7.4230 118.8670 56.2058 42.1809 178.3726 222 I 3.8545 7.3001 120.2683 64.8192 37.0981 177.6534 223 I 4.0049 7.4357 118.1667 61.9368 36.9995 176.0138 224 Q 4.7161 7.3567 120.1345 55.5040 30.3337 175.9188 225 A 4.5864 7.6897 118.6409 50.0129 19.3423 177.3233 226 R 4.4954 8.3024 119.5141 57.2115 36.3861 174.3304 227 G 3.8772 7.3638 108.1398 45.2476 0.0000 171.8800 228 G 3.2253 8.8084 118.5263 44.9124 0.0000 172.3959 229 V 3.4742 7.6737 121.8883 63.2671 31.1260 174.7979 230 V 4.5972 7.8870 122.2706 59.2942 34.4835 175.2739 231 E 4.3477 8.3726 118.1697 55.0110 30.6989 173.9289 232 P 4.3399 0.0000 0.0000 63.0027 31.7968 175.8094 233 S 4.6817 8.0934 114.1592 55.3655 65.0620 171.9845 234 P 4.2447 0.0000 0.0000 63.8310 30.8942 174.9016 235 S 4.3456 8.6206 115.5922 59.7198 65.4114 173.7766 236 Y 4.3500 8.0112 118.7625 56.6958 38.1295 174.6159 237 A 4.8078 8.5243 124.6913 53.2813 24.9814 177.3978 238 L 4.4509 7.6584 112.3774 56.8818 41.7407 176.8974 239 V 3.7821 7.6442 119.5663 63.5506 28.1185 173.4143 240 Q 3.6760 7.3604 128.3076 56.8751 29.3469 173.4068 *241 E 4.1630 7.8380 118.7778 56.1466 30.4602 177.8116 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 7 V 7.91 4.05 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 0.94 0.00 0.00 0.91 0.00 0.00 8 K 8.13 3.73 0.00 1.88 2.12 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.52 7.81 9 E 8.82 3.98 0.00 1.94 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 2.39 2.24 0.00 10 L 7.80 3.96 0.00 1.66 1.68 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.79 3.96 0.00 1.75 1.56 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.66 3.84 0.00 1.99 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 2.36 2.43 0.00 13 A 8.07 3.39 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.45 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 15 V 7.25 4.63 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 0.65 0.00 0.00 0.86 0.00 0.00 16 H 8.73 4.88 0.00 3.17 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.41 4.99 0.00 3.15 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 18 G 8.77 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 0.00 0.00 0.00 19 H 8.18 4.98 0.00 3.10 2.46 0.00 5.99 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.98 4.03 0.00 1.90 1.84 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 2.09 2.46 0.00 21 R 8.24 4.60 0.00 2.00 1.95 0.00 3.06 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 22 K 8.92 3.71 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.49 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.27 7.81 23 R 7.73 4.81 0.00 1.75 1.86 0.00 3.27 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 24 W 8.44 4.67 0.00 3.50 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.63 4.06 0.00 2.53 2.67 0.00 0.00 6.67 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 2.97 0.00 1.85 1.56 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 27 K 7.38 3.69 0.00 1.72 1.88 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.39 7.81 28 F 8.44 4.48 0.00 3.00 3.08 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 0.00 29 A 7.86 4.39 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.65 3.78 0.00 1.60 1.82 0.00 2.48 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 31 Y 6.51 4.93 0.00 1.71 2.34 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 32 I 7.22 4.58 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 1.01 0.00 0.00 33 Y 8.61 4.31 0.00 3.01 3.11 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 34 A 7.19 4.40 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 35 E 8.29 5.80 0.00 1.62 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 36 R 7.88 3.99 0.00 1.94 1.83 0.00 3.43 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 37 N 10.11 3.88 0.00 2.77 2.80 0.00 0.00 7.44 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 38 G 8.48 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 0.00 0.00 0.00 0.00 39 I 7.48 3.72 1.90 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 1.26 0.51 0.90 0.00 0.00 40 H 8.38 4.82 0.00 3.56 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.43 4.16 1.86 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 0.88 0.10 0.78 0.00 0.00 42 I 8.30 4.22 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 1.07 0.00 0.00 43 D 8.88 4.62 0.00 3.06 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 44 L 8.72 4.09 0.00 1.78 1.73 1.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.24 3.92 0.00 2.12 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 46 K 8.05 4.17 0.00 2.16 1.94 0.00 1.82 0.00 0.00 2.08 0.00 0.00 3.33 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.53 7.81 47 T 8.08 3.82 4.44 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 1.31 0.00 0.00 48 M 7.99 4.28 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 49 E 7.66 3.94 0.00 2.06 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 0.00 2.38 2.54 0.00 50 E 7.67 4.45 0.00 2.13 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 2.13 2.09 0.00 51 L 8.67 3.98 0.00 1.97 2.02 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.47 3.97 0.00 2.11 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 0.00 2.38 2.40 0.00 53 R 8.33 3.83 0.00 1.98 2.03 0.00 3.33 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 54 T 7.76 3.76 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 1.14 0.00 0.00 55 F 8.30 4.20 0.00 3.29 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 56 R 8.74 3.90 0.00 2.01 2.08 0.00 3.31 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 57 F 7.73 4.14 0.00 2.40 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.83 3.53 2.06 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 1.45 0.59 0.89 0.00 0.00 59 E 8.79 3.86 0.00 2.00 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 2.28 2.30 0.00 60 D 7.36 4.45 0.00 2.82 2.54 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 0.00 61 L 7.03 4.29 0.00 1.34 1.45 0.81 0.76 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 62 A 8.35 3.92 1.29 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 0.00 0.00 63 M 8.04 4.57 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 64 R 7.66 4.44 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 65 G 7.88 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 66 G 7.56 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 0.00 0.00 0.00 0.00 67 T 8.36 4.44 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 1.24 0.00 0.00 68 I 8.31 4.76 2.02 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 1.18 0.56 0.45 0.00 0.00 69 L 8.50 4.79 0.00 1.81 1.67 1.27 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.23 5.72 0.00 3.29 3.15 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 71 V 8.38 5.02 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 1.07 0.00 0.00 72 G 9.16 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 73 T 8.84 4.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 74 K 7.64 4.43 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.42 7.81 75 K 8.95 3.83 0.00 1.79 1.88 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.45 7.81 76 Q 8.14 4.15 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 77 A 8.05 4.71 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 78 Q 7.56 4.23 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.63 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 79 D 8.30 4.40 0.00 2.68 2.74 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 80 I 7.74 3.96 1.84 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 1.30 0.53 0.87 0.00 0.00 81 V 8.03 4.18 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 1.15 0.00 0.00 1.09 0.00 0.00 82 R 7.93 3.11 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 83 M 7.90 4.20 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 84 E 8.00 4.02 0.00 1.77 1.84 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 2.33 2.30 0.00 85 A 7.00 3.84 1.13 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 0.00 0.00 0.00 86 E 7.46 3.98 0.00 2.09 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 2.42 2.34 0.00 87 R 8.08 4.38 0.00 1.75 1.82 0.00 3.40 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 88 A 7.86 4.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.72 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 0.00 0.00 0.00 90 M 8.19 4.92 0.00 2.38 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 91 P 0.00 4.82 0.00 2.21 2.09 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 92 Y 7.97 5.64 0.00 3.17 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 93 V 9.28 4.39 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 1.15 0.00 0.00 1.14 0.00 0.00 94 N 9.18 5.13 0.00 3.05 3.06 0.00 0.00 7.32 7.08 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 95 Q 7.79 4.63 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 96 R 8.60 4.14 0.00 1.50 1.75 0.00 3.33 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 W 8.57 4.20 0.00 3.20 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 98 L 7.54 3.79 0.00 1.18 1.26 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.02 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 10.31 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 0.00 101 M 6.86 3.78 0.00 1.56 1.26 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 102 L 7.60 4.25 0.00 1.92 1.75 1.30 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.58 4.00 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 1.23 0.00 0.00 104 N 8.14 4.89 0.00 2.77 2.84 0.00 0.00 6.80 8.46 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 0.00 105 F 8.11 4.97 0.00 3.39 3.11 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 0.00 106 K 8.20 3.97 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 107 T 8.02 4.63 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 1.19 0.00 0.00 108 I 7.39 3.83 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.76 0.94 0.00 0.00 109 S 7.77 4.09 0.00 3.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.35 4.06 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 111 R 7.80 4.16 0.00 1.94 2.00 0.00 3.33 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 112 V 7.48 3.81 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 1.04 0.00 0.00 1.04 0.00 0.00 113 H 8.34 4.31 0.00 3.32 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.47 4.24 0.00 1.87 2.01 0.00 3.46 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 115 L 7.90 4.05 0.00 1.80 1.80 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.07 4.06 0.00 2.20 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 2.46 2.34 0.00 117 E 7.61 3.98 0.00 2.11 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 2.49 2.50 0.00 118 L 7.59 3.96 0.00 1.88 1.73 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.18 3.88 0.00 2.10 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 2.31 2.37 0.00 120 A 7.70 4.47 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.09 4.37 0.00 1.73 1.72 0.96 0.73 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 0.00 122 F 7.92 4.51 0.00 3.17 3.34 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 0.00 123 A 7.71 4.12 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 0.00 124 S 7.48 4.51 0.00 3.77 3.66 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 0.00 125 P 0.00 4.61 0.00 2.24 2.23 0.00 3.72 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 2.04 1.96 0.00 126 E 7.68 3.93 0.00 1.94 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 2.30 2.26 0.00 127 I 7.57 3.88 1.81 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 1.42 0.65 0.88 0.00 0.00 128 E 7.44 4.08 0.00 1.70 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 0.00 2.32 2.34 0.00 129 E 7.44 4.43 0.00 1.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 130 R 8.89 3.56 0.00 1.92 1.96 0.00 3.39 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 131 P 0.00 4.40 0.00 2.21 2.20 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 132 K 8.59 4.15 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.08 4.12 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.47 7.81 134 E 8.54 4.43 0.00 1.92 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 2.25 2.47 0.00 135 Q 7.64 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 136 V 7.54 3.67 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 1.00 0.00 0.00 1.00 0.00 0.00 137 R 7.53 3.98 0.00 2.13 1.92 0.00 3.36 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 138 L 8.43 4.25 0.00 1.75 1.76 0.96 1.10 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 0.00 139 K 8.12 4.07 0.00 2.10 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.65 7.81 140 H 8.19 4.03 0.00 3.51 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.78 3.91 0.00 2.04 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 2.32 2.35 0.00 142 L 7.74 3.94 0.00 1.84 1.84 0.83 0.83 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 0.00 143 E 8.55 3.83 0.00 2.00 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 2.53 2.49 0.00 144 R 8.23 3.57 0.00 1.83 2.00 0.00 2.82 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 145 L 7.71 3.88 0.00 2.00 1.75 1.01 0.49 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 0.00 146 Q 8.41 3.92 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 147 K 7.66 3.80 0.00 1.59 1.25 0.00 1.55 0.00 0.00 1.07 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.87 1.26 7.81 148 Y 7.40 4.68 0.00 3.01 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 0.00 149 L 7.33 4.84 0.00 1.71 1.73 1.00 1.41 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 0.00 150 S 8.35 4.26 0.00 3.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.60 2.74 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 0.00 0.00 0.00 152 F 7.75 4.86 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 4.35 0.00 1.71 1.80 0.00 3.42 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 154 L 6.79 2.71 0.00 1.66 1.54 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.24 4.27 0.00 1.62 1.61 0.93 0.89 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 0.00 156 K 8.41 4.59 0.00 1.82 1.89 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.43 7.81 157 R 6.93 4.41 0.00 1.74 1.73 0.00 3.25 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 158 L 8.35 3.82 0.00 1.60 1.54 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.29 0.00 2.29 2.15 0.00 3.54 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 160 D 8.30 4.75 0.00 2.63 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 0.00 161 A 8.13 5.12 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 0.00 0.00 0.00 0.00 0.00 162 I 7.98 5.21 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.12 0.96 0.00 0.00 163 F 8.25 5.47 0.00 2.31 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 0.00 164 V 6.64 4.67 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 0.93 0.00 0.00 0.86 0.00 0.00 165 V 8.72 3.70 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 0.69 0.00 0.00 0.92 0.00 0.00 166 D 9.25 4.46 0.00 2.79 2.50 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 0.00 167 P 0.00 4.17 0.00 2.18 2.15 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 168 T 7.77 3.90 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 1.13 0.00 0.00 169 K 7.69 4.01 0.00 1.70 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 170 E 7.88 4.51 0.00 1.86 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 0.00 2.09 2.25 0.00 171 A 7.55 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.76 3.58 1.99 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 1.65 0.66 1.15 0.00 0.00 173 A 6.97 2.67 -0.42 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 0.00 174 V 7.11 3.34 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 0.95 0.00 0.00 0.86 0.00 0.00 175 R 8.10 3.77 0.00 1.83 2.12 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 176 E 8.15 3.97 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.95 0.00 177 A 8.05 3.98 1.29 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 0.00 0.00 178 R 8.06 3.76 0.00 2.13 1.94 0.00 3.08 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 179 K 8.23 3.96 0.00 1.67 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 180 L 7.13 4.46 0.00 1.77 1.69 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.08 4.01 0.00 3.30 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 0.00 182 I 7.67 4.47 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 1.29 0.75 1.01 0.00 0.00 183 P 0.00 4.51 0.00 2.40 2.13 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 184 V 8.85 4.61 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 0.99 0.00 0.00 0.92 0.00 0.00 185 I 8.82 5.63 2.38 0.00 0.00 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 1.56 1.69 1.22 0.00 0.00 186 A 7.99 4.02 0.99 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 0.00 0.00 187 L 9.00 5.19 0.00 1.46 1.40 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.15 4.64 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.05 4.99 0.00 2.80 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 0.00 190 T 8.33 3.71 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 191 D 7.90 4.77 0.00 2.68 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 0.00 192 S 7.77 4.47 0.00 3.61 3.51 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 0.00 193 D 8.39 4.73 0.00 2.72 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 0.00 194 P 0.00 4.05 0.00 2.38 2.55 0.00 3.80 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 195 D 8.26 3.92 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.70 4.34 0.00 1.67 1.70 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.24 4.24 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 0.82 0.00 0.00 0.91 0.00 0.00 198 D 8.76 4.13 0.00 2.38 1.74 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 0.00 199 Y 8.20 4.73 0.00 2.88 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 0.00 200 I 8.54 4.70 1.82 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 1.35 0.56 0.98 0.00 0.00 201 I 9.11 4.44 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.98 0.00 0.00 202 P 0.00 5.55 0.00 2.11 2.01 0.00 3.48 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.51 0.00 203 G 9.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 8.20 4.13 0.00 2.69 2.79 0.00 0.00 6.67 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 0.00 205 D 7.94 4.80 0.00 2.70 2.68 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 0.00 206 D 7.89 4.55 0.00 2.68 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 0.00 207 A 7.81 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.52 3.86 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 1.90 0.64 0.87 0.00 0.00 209 R 7.91 4.00 0.00 1.86 1.85 0.00 3.28 0.00 0.00 3.10 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 210 S 7.93 4.39 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 I 7.73 3.92 1.88 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 1.52 1.42 0.94 0.00 0.00 212 Q 7.88 4.08 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 213 L 8.07 4.02 0.00 1.86 1.65 0.45 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.67 4.28 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 1.12 0.00 0.00 215 L 7.86 4.21 0.00 2.06 1.76 1.10 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.25 4.82 0.00 4.01 3.81 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 0.00 217 R 8.08 4.05 0.00 1.93 1.87 0.00 3.28 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 218 A 7.82 4.30 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 0.00 219 V 8.24 3.62 2.36 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 1.01 0.00 0.00 0.81 0.00 0.00 220 D 8.42 4.36 0.00 2.65 2.66 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 0.00 221 L 7.42 4.23 0.00 1.69 1.74 0.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.30 3.85 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.91 0.00 0.00 223 I 7.44 4.00 1.85 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 1.39 1.50 0.89 0.00 0.00 224 Q 7.36 4.72 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.36 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 225 A 7.69 4.59 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 0.00 226 R 8.30 4.50 0.00 1.73 1.87 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 227 G 7.36 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 0.00 0.00 0.00 228 G 8.81 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 0.00 0.00 0.00 229 V 7.67 3.47 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 0.80 0.00 0.00 0.91 0.00 0.00 230 V 7.89 4.60 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 0.93 0.00 0.00 0.95 0.00 0.00 231 E 8.37 4.35 0.00 2.07 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 2.33 0.00 232 P 0.00 4.34 0.00 2.11 2.09 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 233 S 8.09 4.68 0.00 3.93 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 0.00 234 P 0.00 4.24 0.00 2.18 2.16 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 235 S 8.62 4.35 0.00 3.56 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 0.00 236 Y 8.01 4.35 0.00 2.94 2.94 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 0.00 237 A 8.52 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 238 L 7.66 4.45 0.00 1.74 1.71 0.93 0.60 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 0.00 239 V 7.64 3.78 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 0.72 0.00 0.00 0.81 0.00 0.00 240 Q 7.36 3.68 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 *241 E 7.84 4.16 0.00 1.77 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.