NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 V 4.1441 7.9127 120.3833 62.7139 32.7754 173.7439 17 V 4.1719 7.9942 127.4312 61.3777 32.4174 174.6140 18 G 3.9509 8.8798 114.7164 46.2395 0.0000 173.1958 19 G 4.1783 7.5796 107.8769 44.8197 0.0000 172.7171 20 E 4.8525 8.0423 119.2098 54.1301 34.3713 175.0225 21 D 4.9698 8.5877 120.6094 54.2984 41.4855 176.7701 22 A 4.8027 9.0888 125.6051 51.9457 19.7584 176.7930 23 K 4.5876 8.8528 118.3398 53.7259 34.3336 174.9269 24 P 4.2170 0.0000 0.0000 64.2490 31.5630 177.0308 25 G 3.6850 8.9384 109.7073 45.9907 0.0000 174.2363 26 Q 3.5316 7.6926 122.1473 57.7801 29.6850 176.3827 27 F 3.4078 7.0156 115.3230 54.2063 39.2743 173.5421 28 P 4.3883 0.0000 0.0000 63.9527 31.8210 178.6620 29 W 5.2554 6.4822 115.2406 56.8008 29.1039 175.7261 30 Q 4.7419 7.6880 121.8380 56.3619 28.9176 175.5864 31 V 5.0114 8.9829 118.7468 59.5847 36.4799 174.6532 32 V 4.6276 8.3110 121.2480 59.9987 34.5560 174.3871 33 L 5.1498 8.4066 122.4707 53.1613 44.1715 175.2011 34 N 5.4939 9.2418 120.4500 50.9206 42.2097 172.6759 35 G 4.1389 9.0416 112.9724 45.5938 0.0000 176.1149 36 K 3.8746 8.8297 125.9163 58.6606 32.4578 176.3967 *38 V 4.6650 7.4743 116.9926 62.5343 32.3300 173.8289 39 D 4.5781 8.7094 125.5557 55.1650 42.2772 175.6006 40 A 3.8604 9.0500 127.6645 53.1514 16.2297 177.2601 41 F 4.7284 8.1978 116.3333 58.7193 40.0937 176.2411 42 C 4.8118 6.7578 115.3978 57.1197 44.9196 172.5548 43 G 4.5802 8.7021 108.4773 45.4043 0.0000 172.0286 44 G 4.7002 8.1229 105.4797 46.4159 0.0000 172.6716 45 S 5.5833 8.8629 115.1220 56.5372 67.3775 174.0468 46 I 4.2378 8.8370 124.9441 61.5292 37.3553 177.1309 47 V 3.7544 9.2226 128.4219 65.0163 32.0175 174.8783 48 N 4.8953 7.6117 114.2172 52.1941 39.4948 174.2054 49 E 4.0619 8.9489 116.3558 58.8482 29.7694 178.4305 50 K 4.4591 8.7714 116.4621 55.5482 33.9325 175.3608 51 W 5.5427 8.2464 119.4636 54.8303 33.1491 174.2512 52 I 5.1891 9.0339 124.7054 59.4815 40.0311 174.7697 53 V 4.8713 8.8593 125.9226 60.8042 34.0710 175.0372 54 T 5.1522 8.8884 116.8013 61.6163 71.1460 171.6133 55 A 4.7208 8.4868 122.3204 50.7809 20.6097 178.6242 56 A 3.7803 8.1151 124.7219 55.0562 18.4850 179.2440 57 H 4.6086 8.2129 110.3242 57.6338 28.8211 175.7944 58 C 4.7614 7.7450 116.9542 58.7273 40.4608 174.0259 59 V 4.5293 7.4239 112.8692 60.6603 32.2319 176.4676 60 E 4.2119 8.4561 121.6664 57.6286 28.9160 177.8008 61 T 3.1915 7.4506 123.7210 62.8689 68.6645 176.2231 61A G 3.8102 8.8696 100.5878 44.3694 0.0000 177.6578 61B V 3.2243 7.5068 115.7229 56.9770 33.3013 174.7368 62 K 4.2258 8.3540 123.5680 56.1544 33.1283 176.0931 63 I 4.9278 8.2675 125.9140 59.8528 40.7177 174.3573 64 T 5.0015 9.0281 122.4902 61.7348 71.8081 173.1063 65 V 4.7734 8.7878 125.5505 61.0419 34.6791 174.4216 65A V 4.7437 8.5803 126.5873 61.2368 34.0796 174.3564 66 A 4.7961 8.8849 130.1906 49.8653 21.9345 177.1880 66 G 4.4361 8.9749 115.1906 42.4653 0.0000 174.2880 70 E 4.6842 8.2303 119.4193 55.4456 30.9213 174.2081 71 H 5.0310 8.6485 122.0094 56.9830 33.0435 172.2909 72 N 5.4366 7.9749 121.4179 51.5194 39.8492 174.9721 73 I 3.5791 8.4075 128.3609 63.4981 37.2743 176.8361 74 E 4.5539 8.5194 115.8404 55.8132 30.1615 174.9435 75 E 4.8152 7.8382 118.8384 56.0793 33.0597 174.4106 76 T 4.5789 7.8993 110.6116 62.1891 69.8372 173.3575 77 E 4.4274 8.3099 124.7448 55.8186 30.6366 175.6649 78 H 4.0969 8.2441 114.9627 57.2495 26.4698 175.4450 79 T 4.2816 7.1814 107.8326 61.6957 69.3365 174.7621 80 E 4.4920 7.9492 122.0973 56.6415 30.5756 176.3062 81 Q 4.4916 8.4251 120.9178 54.2799 31.8745 174.6257 82 K 4.8475 8.7165 123.5994 54.9574 34.1852 176.1714 83 R 4.7407 8.9358 121.9571 54.7263 35.1132 173.9468 84 N 5.0699 8.9376 118.5062 52.0931 41.1418 174.3469 85 V 4.5693 7.9983 122.0625 62.0369 31.7570 175.7008 86 I 4.2399 8.4978 121.9956 61.8809 38.9357 175.9945 87 R 4.7331 7.5936 122.3639 54.8190 33.6881 173.4670 88 I 5.0199 8.4673 125.4121 59.7434 40.6007 175.3217 89 I 4.7122 9.2486 127.9344 58.7261 38.9525 173.0472 90 P 4.8887 0.0000 0.0000 62.1105 32.7750 175.7901 91 H 3.8712 8.7439 121.7835 56.6761 30.1122 176.0335 92 H 4.2538 8.6037 120.1985 58.2488 28.7013 175.6820 93 N 4.6548 7.6636 115.5504 52.8114 39.0617 174.4327 94 F 4.5166 7.8615 121.9668 59.3628 39.8590 174.5943 95 N 3.8392 7.8121 122.6053 53.6971 35.7365 175.1919 96 A 3.9115 7.8071 123.2040 53.9259 18.4296 178.1618 97 A 4.4576 7.4975 118.8692 49.7938 20.3508 175.1281 98 I 3.4567 8.3374 122.0641 63.6997 38.2003 174.9648 98A N 3.7745 8.3417 123.1159 54.3145 36.1363 175.1212 98B T 3.5057 6.7515 107.3822 61.0969 69.9586 175.1328 99 Y 3.7563 7.3234 116.5986 58.2420 35.3947 168.9716 100 N 4.4956 7.6422 118.1314 54.9714 39.4750 174.0418 101 H 4.4630 8.6421 118.4010 56.8312 26.1140 175.8808 102 D 4.6273 8.1009 119.0783 52.9870 39.1360 174.4505 103 I 4.7966 7.1396 120.6635 59.5532 42.1516 172.6722 104 A 5.4425 9.1168 127.5466 51.1451 23.2771 175.0072 105 L 5.4452 9.1240 118.9724 52.9842 45.4113 175.7743 106 L 5.2365 9.1722 122.2261 52.9837 45.0777 174.9374 107 E 3.6622 8.6961 125.2061 54.2606 31.1837 174.9868 108 L 4.7311 8.2282 127.3944 53.9957 42.5877 176.8330 109 D 4.4437 8.7700 122.6446 56.0562 39.7245 176.5709 110 E 4.7070 7.8255 117.3687 52.6659 32.3611 173.9970 111 P 4.6528 0.0000 0.0000 62.9334 32.0477 176.0748 112 L 4.3565 8.6750 122.0232 54.8094 42.7472 176.5865 113 V 4.2684 8.7363 122.3157 61.1703 32.4557 175.7860 114 L 4.4397 8.5880 128.8110 54.9065 42.5469 176.0864 115 N 4.7703 8.6303 118.3893 52.4381 39.9896 175.0579 116 S 4.0129 8.7110 113.3561 61.3906 62.7576 174.8725 117 Y 4.3475 8.4878 116.0680 57.7324 38.7576 175.9773 118 V 4.5042 7.9335 119.4632 61.2191 32.8368 173.4858 119 T 5.1297 8.6754 122.7148 60.8883 72.8544 172.2617 120 P 4.9766 0.0000 0.0000 62.7035 32.4434 175.3693 121 I 3.9147 8.2044 122.1496 59.8600 39.2594 175.2602 122 C 4.2564 7.7645 125.8927 59.5041 29.4522 173.2066 123 I 4.6606 8.1760 122.0435 59.4435 38.9020 175.4096 124 A 4.4532 8.8140 129.0273 51.0003 19.6364 176.2759 125 D 4.7192 8.2481 119.6486 52.5153 41.7562 177.0153 126 K 3.7953 8.4979 119.2784 59.6978 32.1213 177.9144 126A E 3.7065 8.0564 118.7962 59.6481 29.6333 178.2839 126B Y 3.1810 8.7231 116.7861 60.5791 37.7875 178.2104 127 T 3.8100 7.8540 117.1213 66.5007 68.4348 176.1477 128 N 4.1400 7.7133 118.7907 56.5713 38.7197 177.0394 129 I 3.4378 6.7643 119.8526 64.3001 37.4007 178.1336 130 F 3.4179 7.7298 118.9975 60.0311 38.6249 177.5103 131 L 3.8204 7.8130 120.0870 57.9755 41.6964 179.0000 132 K 4.0491 7.9692 116.9711 58.5308 31.9625 178.7514 133 F 4.7008 7.7284 118.0876 58.8465 39.0136 176.3888 134 G 3.9323 9.2842 106.4316 44.9076 0.0000 172.4668 135 S 4.8574 7.8437 113.7257 56.6412 65.1538 173.0458 136 G 4.2606 8.7893 112.9911 44.7219 0.0000 170.2955 137 Y 5.1655 9.2603 117.8507 56.1345 40.6654 175.6258 138 V 5.3567 9.0062 116.1427 58.9596 35.4676 174.7960 139 S 4.8575 8.1761 116.3925 56.6805 66.1995 173.1980 140 G 3.8144 7.4429 108.8141 46.1964 0.0000 172.5768 141 W 4.5729 8.5347 116.7875 56.5208 30.0551 177.4008 142 G 4.0033 8.5939 109.9405 45.3708 0.0000 173.3476 143 R 4.3814 8.4383 118.7882 56.4802 29.8117 177.9466 144 V 4.6178 8.7407 115.0730 60.9153 32.0389 175.7782 145 F 4.8442 7.3584 118.3160 56.1112 42.9269 172.7549 143 H 4.7714 8.6283 116.4882 55.4802 27.9117 175.7466 144 K 4.8178 9.0007 116.2730 54.9153 32.2389 176.0782 145 G 4.1842 7.3884 106.8160 43.5112 0.0000 171.8548 150 R 4.2564 8.5192 115.4473 56.5102 30.2532 176.5198 151 S 4.8811 8.4969 115.6575 57.5627 64.4754 173.9666 152 A 4.2935 8.1888 123.7191 52.3801 18.9553 177.5977 153 L 4.4563 8.6835 119.1205 56.6193 43.5783 176.8233 154 V 4.6908 7.6580 117.2632 61.0590 32.8940 175.1929 155 L 2.7589 8.4450 129.2841 55.9385 42.8619 175.9182 156 Q 5.2606 8.2088 124.5177 54.5812 31.7864 174.0969 157 Y 5.2939 8.4729 118.5854 55.9157 42.1727 173.5803 158 L 4.6268 8.9465 121.0342 54.0152 46.2108 173.8663 159 R 4.0307 8.4769 126.3796 55.4099 31.3731 175.6671 160 V 4.3051 8.5802 119.6449 58.6072 35.4340 173.3635 161 P 4.7277 0.0000 0.0000 62.1987 32.6943 175.5314 162 L 4.3832 8.4969 125.0366 55.2262 42.9143 176.0287 163 V 4.2101 7.8976 124.6266 60.5103 33.5009 175.0116 164 D 4.3585 8.6685 126.8446 54.5403 41.8794 176.8661 165 R 3.8896 8.8196 124.9198 59.6620 30.0797 178.6042 166 A 4.0121 8.1989 120.2631 55.6253 18.1631 179.7970 167 T 3.8857 7.7815 112.5935 66.6647 68.8360 176.9204 168 C 4.3935 8.1021 120.4535 59.8548 41.9430 175.4639 169 L 3.9996 8.2977 120.7299 58.2049 41.1135 179.7891 170 R 4.2239 7.8448 115.6600 58.1839 30.1276 178.4311 171 S 4.4480 7.9095 113.2094 59.5242 63.5777 173.6644 172 T 4.7237 6.8776 114.1636 60.6980 70.3929 173.4444 173 K 4.1284 8.2941 124.2514 58.2252 32.6191 177.8979 174 F 4.6574 7.4647 116.6270 57.3184 39.5204 174.8297 175 T 4.3513 8.4811 119.3731 63.0620 69.1311 174.6615 176 I 4.5163 8.4343 127.4433 59.9867 38.0978 175.8066 177 T 4.4586 8.3376 116.4056 60.0790 70.1974 175.2002 178 N 4.5323 8.6222 118.1534 54.9285 37.4048 175.1773 179 N 4.9141 8.1990 116.5439 53.4327 38.7598 173.8140 180 M 5.6840 8.1326 117.4179 53.9607 36.5446 174.1496 181 F 5.1088 8.8218 114.0858 55.9788 42.1972 172.5104 182 C 5.5048 8.9123 116.1985 55.6626 38.5225 172.7622 183 A 5.0005 8.7914 122.6200 50.2888 22.7360 177.2223 184 G 4.2487 6.9489 107.5008 45.0548 0.0000 171.7409 184A F 5.0461 8.2149 117.6990 55.4624 41.4028 176.5879 185 H 4.4596 9.0852 118.5843 58.1143 28.3923 176.8027 186 E 3.9792 8.0305 116.9753 55.9755 30.2196 178.0471 187 G 3.7477 8.2188 107.6831 45.9711 0.0000 173.2222 188 G 4.0606 8.9858 107.5617 44.9883 0.0000 173.7761 188A R 4.8725 7.3132 117.2298 54.6656 33.1472 174.2587 189 D 4.6576 8.7969 121.9421 53.5949 45.6900 174.9654 190 S 4.8041 8.7134 117.4096 58.4650 65.1394 172.5675 191 C 4.7174 9.0260 117.7536 55.8288 46.3122 172.3253 192 Q 4.2702 8.5718 118.4931 58.0440 28.5955 176.9521 193 G 4.1737 9.1292 109.7771 45.3063 0.0000 174.6216 194 D 4.5969 8.1655 118.0233 55.0365 41.5909 176.7012 195 S 4.4831 7.8934 116.2183 60.4049 63.5578 175.0034 196 G 4.2802 8.6209 112.1773 46.5304 0.0000 173.9189 197 G 4.2957 7.8263 106.9873 45.5213 0.0000 171.1304 198 P 5.3819 0.0000 0.0000 62.0912 33.9650 174.1508 199 H 5.3139 9.0841 121.6083 54.8235 31.8144 173.5675 200 V 5.0864 9.1012 118.9824 59.8525 36.0878 174.6846 201 T 5.0365 8.8057 119.7782 61.7174 71.3726 172.9492 202 E 4.7546 9.0451 125.1651 55.3856 31.2079 176.2030 203 V 4.1160 8.9508 125.3712 61.3519 32.3404 174.9779 204 E 3.8196 9.7924 130.2128 57.3750 26.6778 176.1997 205 G 3.9589 8.2443 103.8856 45.4867 0.0000 172.4811 206 T 4.5127 7.7204 116.9408 61.6755 71.6356 173.3327 207 S 4.9169 8.2021 122.2530 57.5120 64.8762 173.1055 208 F 4.9333 8.6169 121.9721 55.1533 42.5901 174.2389 209 L 4.4625 8.8492 126.1503 55.6170 41.3932 176.4100 210 T 4.6487 9.1528 116.3424 62.0967 71.6435 173.7939 211 G 4.4363 8.0184 107.8303 45.7371 0.0000 171.7100 212 I 5.2731 8.5049 120.3001 58.9830 40.5767 175.7025 213 I 3.6711 8.7623 128.0797 62.1976 37.4091 174.7161 214 S 4.7254 8.3046 119.7462 58.7016 64.2683 173.5796 215 W 4.7699 7.1728 114.1048 55.7589 31.9077 172.0775 216 G 3.9312 7.9362 105.8134 46.7304 0.0000 172.6088 217 E 4.6705 8.8551 119.5376 54.6460 30.5241 175.4272 217 E 4.6705 8.8551 119.5376 54.6460 30.5241 175.4272 220 C 4.9044 8.1735 115.9630 57.6593 42.7012 173.9078 221 A 3.8880 9.3179 125.0944 53.2798 16.6341 176.9400 221A M 4.4668 7.2668 119.3284 55.7406 32.6988 176.2670 222 K 4.1272 8.3615 124.7344 57.8574 32.8296 177.0196 223 G 3.8886 8.2357 114.8396 44.8639 0.0000 173.1797 224 K 4.4799 7.1658 117.6781 54.6789 34.9961 174.5932 225 Y 4.9170 7.7950 116.5796 56.0696 42.9203 174.9673 226 G 3.8243 8.8746 108.4102 46.2865 0.0000 172.6597 227 I 4.6235 7.8274 123.7211 59.2193 39.8528 174.3791 228 Y 4.7791 8.1161 123.1476 55.9820 41.9250 175.0688 229 T 4.5154 8.7894 120.3993 63.3957 69.9446 174.2314 230 K 4.8172 9.3230 128.1472 55.7734 32.1036 177.4066 231 V 3.9582 8.5084 127.0409 65.9172 31.6495 177.6043 232 S 4.2091 8.2813 113.6967 61.6157 62.3694 176.3020 233 R 4.0021 7.6750 119.4465 57.5504 30.1288 176.5923 234 Y 4.8520 7.9546 115.4498 57.3818 39.5276 177.8721 235 V 3.8375 7.6850 114.5329 64.4916 31.5165 178.1570 236 N 4.4269 8.2360 116.0317 55.9171 38.5860 177.1018 237 W 4.2114 8.3429 129.3823 60.4315 31.0498 177.8738 238 I 3.2101 8.2145 119.7903 64.3456 36.3904 178.4855 239 K 3.8361 7.7535 117.6784 59.5314 31.9358 178.7475 240 E 3.9523 7.9994 118.5102 58.6808 29.6289 178.2757 241 K 3.9513 7.3000 116.6302 57.0097 32.3912 177.9944 242 T 2.7203 6.4260 108.0634 59.6665 69.3686 174.5214 243 K 3.9654 7.3340 120.5967 57.0727 32.6467 176.2647 244 L 4.6018 8.3059 122.8505 53.8694 43.1046 176.6713 245 T 4.1729 8.4213 115.7550 62.2071 67.4239 173.7740 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 16 V 7.91 4.14 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 0.92 0.00 0.00 0.90 0.00 0.00 17 V 7.99 4.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.94 0.00 0.00 18 G 8.88 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 19 G 7.58 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.04 4.85 0.00 1.29 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 2.09 2.01 0.00 21 D 8.59 4.97 0.00 2.63 2.67 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 0.00 0.00 0.00 22 A 9.09 4.80 1.43 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 0.00 0.00 23 K 8.85 4.59 0.00 1.70 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 24 P 0.00 4.22 0.00 2.07 2.01 0.00 3.72 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 1.97 1.70 0.00 25 G 8.94 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.69 3.53 0.00 1.77 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.18 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.00 27 F 7.02 3.41 0.00 2.79 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 28 P 0.00 4.39 0.00 2.20 2.21 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 29 W 6.48 5.26 0.00 3.59 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 30 Q 7.69 4.74 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.69 0.00 31 V 8.98 5.01 2.22 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 1.06 0.00 0.00 1.05 0.00 0.00 32 V 8.31 4.63 1.17 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 0.44 0.00 0.00 0.67 0.00 0.00 33 L 8.41 5.15 0.00 0.66 1.33 0.69 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.24 5.49 0.00 2.58 2.70 0.00 0.00 6.45 7.22 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 35 G 9.04 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.83 3.87 0.00 1.69 1.65 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *38 V 7.47 4.67 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 0.87 0.00 0.00 0.89 0.00 0.00 39 D 8.71 4.58 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.05 3.86 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 41 F 8.20 4.73 0.00 3.17 3.28 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 42 C 6.76 4.81 0.00 1.94 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 G 8.70 4.58 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 0.00 0.00 0.00 44 G 8.12 4.70 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 45 S 8.86 5.58 0.00 3.85 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 46 I 8.84 4.24 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.87 1.07 0.00 0.00 47 V 9.22 3.75 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 0.78 0.00 0.00 1.01 0.00 0.00 48 N 7.61 4.90 0.00 3.02 2.97 0.00 0.00 6.22 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 49 E 8.95 4.06 0.00 2.13 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 0.00 2.43 2.44 0.00 50 K 8.77 4.46 0.00 1.81 1.44 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.52 7.81 51 W 8.25 5.54 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 52 I 9.03 5.19 1.94 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 1.31 1.11 1.07 0.00 0.00 53 V 8.86 4.87 2.18 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 0.78 0.00 0.00 1.14 0.00 0.00 54 T 8.89 5.15 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 1.24 0.00 0.00 55 A 8.49 4.72 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 56 A 8.12 3.78 0.17 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 0.00 0.00 57 H 8.21 4.61 0.00 3.43 3.64 0.00 5.56 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.75 4.76 0.00 3.16 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.42 4.53 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 0.80 0.00 0.00 0.96 0.00 0.00 60 E 8.46 4.21 0.00 2.06 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 2.44 2.45 0.00 61 T 7.45 3.19 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 1.24 0.00 0.00 61A G 8.87 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 0.00 0.00 0.00 61B V 7.51 3.22 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 0.63 0.00 0.00 0.85 0.00 0.00 62 K 8.35 4.23 0.00 1.71 1.70 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 I 8.27 4.93 1.94 0.00 0.00 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 1.55 1.02 1.01 0.00 0.00 64 T 9.03 5.00 4.37 0.00 0.00 0.00 0.00 0.00 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 65 V 8.79 4.77 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 1.03 0.00 0.00 0.92 0.00 0.00 65A V 8.58 4.74 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 0.86 0.00 0.00 0.84 0.00 0.00 66 A 8.88 4.80 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 66 G 8.97 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 0.00 0.00 0.00 0.00 70 E 8.23 4.68 0.00 1.78 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 1.47 1.89 0.00 71 H 8.65 5.03 0.00 3.23 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.97 5.44 0.00 2.77 2.69 0.00 0.00 7.01 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 73 I 8.41 3.58 1.77 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.14 0.82 0.00 0.00 74 E 8.52 4.55 0.00 2.04 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 2.47 2.24 0.00 75 E 7.84 4.82 0.00 1.95 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 2.22 2.21 0.00 76 T 7.90 4.58 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 77 E 8.31 4.43 0.00 1.77 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 2.14 2.17 0.00 78 H 8.24 4.10 0.00 3.23 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.18 4.28 3.69 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 0.11 0.00 0.00 80 E 7.95 4.49 0.00 1.81 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 2.24 2.57 0.00 81 Q 8.43 4.49 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 82 K 8.72 4.85 0.00 1.60 1.68 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.41 7.81 83 R 8.94 4.74 0.00 1.62 1.83 0.00 3.44 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 84 N 8.94 5.07 0.00 2.74 2.69 0.00 0.00 6.82 7.77 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 85 V 8.00 4.57 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 0.81 0.00 0.00 0.97 0.00 0.00 86 I 8.50 4.24 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.84 0.00 0.00 87 R 7.59 4.73 0.00 1.83 1.71 0.00 3.25 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 88 I 8.47 5.02 1.94 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 1.39 0.82 1.00 0.00 0.00 89 I 9.25 4.71 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.98 1.13 0.00 0.00 90 P 0.00 4.89 0.00 2.19 2.10 0.00 3.93 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 2.12 2.08 0.00 91 H 8.74 3.87 0.00 2.51 2.99 0.00 5.79 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.60 4.25 0.00 3.27 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.66 4.65 0.00 2.36 2.68 0.00 0.00 6.81 8.13 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 94 F 7.86 4.52 0.00 3.13 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 95 N 7.81 3.84 0.00 2.71 2.76 0.00 0.00 6.99 7.35 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 96 A 7.81 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.50 4.46 1.14 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 0.00 0.00 98 I 8.34 3.46 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.81 0.00 0.00 98A N 8.34 3.77 0.00 2.60 2.50 0.00 0.00 6.97 7.54 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 98B T 6.75 3.51 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 99 Y 7.32 3.76 0.00 2.87 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 0.00 100 N 7.64 4.50 0.00 2.63 2.66 0.00 0.00 7.12 7.95 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 0.00 101 H 8.64 4.46 0.00 3.48 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.10 4.63 0.00 3.18 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 0.00 103 I 7.14 4.80 1.56 0.00 0.00 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 1.54 1.27 -0.01 0.00 0.00 104 A 9.12 5.44 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 0.00 105 L 9.12 5.45 0.00 1.68 1.81 -0.18 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.17 5.24 0.00 1.56 1.51 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.70 3.66 0.00 1.16 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 1.62 1.47 0.00 108 L 8.23 4.73 0.00 1.37 1.47 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.77 4.44 0.00 2.64 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 0.00 110 E 7.83 4.71 0.00 1.91 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 2.16 2.17 0.00 111 P 0.00 4.65 0.00 2.07 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 112 L 8.68 4.36 0.00 1.54 1.66 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.74 4.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 114 L 8.59 4.44 0.00 1.70 1.61 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.63 4.77 0.00 2.97 2.96 0.00 0.00 6.82 6.80 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 0.00 116 S 8.71 4.01 0.00 3.48 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 0.00 117 Y 8.49 4.35 0.00 3.03 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 0.00 118 V 7.93 4.50 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 1.01 0.00 0.00 119 T 8.68 5.13 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 120 P 0.00 4.98 0.00 1.95 2.22 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 121 I 8.20 3.91 1.64 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.33 0.93 0.00 0.00 122 C 7.76 4.26 0.00 1.77 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 0.00 0.00 0.00 123 I 8.18 4.66 1.92 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 1.40 0.77 1.00 0.00 0.00 124 A 8.81 4.45 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 0.00 125 D 8.25 4.72 0.00 2.97 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 0.00 126 K 8.50 3.80 0.00 1.82 1.82 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.67 7.81 126A E 8.06 3.71 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 1.80 2.11 0.00 126B Y 8.72 3.18 0.00 2.87 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 0.00 0.00 0.00 127 T 7.85 3.81 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 1.28 0.00 0.00 128 N 7.71 4.14 0.00 2.73 2.75 0.00 0.00 7.23 8.97 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 0.00 129 I 6.76 3.44 1.22 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.36 0.69 0.00 0.00 130 F 7.73 3.42 0.00 2.90 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 0.00 131 L 7.81 3.82 0.00 1.69 1.55 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.97 4.05 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.52 7.81 133 F 7.73 4.70 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 0.00 134 G 9.28 3.93 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 0.00 135 S 7.84 4.86 0.00 3.83 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 0.00 136 G 8.79 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 9.26 5.17 0.00 3.09 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 0.00 138 V 9.01 5.36 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 1.05 0.00 0.00 1.06 0.00 0.00 139 S 8.18 4.86 0.00 3.40 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.44 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 0.00 0.00 0.00 141 W 8.53 4.57 0.00 3.31 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 0.00 142 G 8.59 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 0.00 143 R 8.44 4.38 0.00 1.70 2.16 0.00 3.14 0.00 0.00 3.21 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 144 V 8.74 4.62 1.55 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 0.69 0.00 0.00 0.68 0.00 0.00 145 F 7.36 4.84 0.00 3.08 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 0.00 143 H 8.63 4.77 0.00 3.13 3.56 0.00 8.52 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.00 4.82 0.00 1.75 1.64 0.00 0.98 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.23 7.81 145 G 7.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.52 4.26 0.00 1.89 2.03 0.00 3.10 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 151 S 8.50 4.88 0.00 3.83 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 0.00 152 A 8.19 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.68 4.46 0.00 1.67 1.76 0.99 0.79 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 0.00 154 V 7.66 4.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 155 L 8.45 2.76 0.00 1.14 1.34 -0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.21 5.26 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 157 Y 8.47 5.29 0.00 2.77 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 0.00 158 L 8.95 4.63 0.00 1.68 1.48 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.48 4.03 0.00 1.11 1.67 0.00 3.23 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.00 160 V 8.58 4.31 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 0.92 0.00 0.00 0.85 0.00 0.00 161 P 0.00 4.73 0.00 1.92 1.98 0.00 2.56 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.29 0.00 162 L 8.50 4.38 0.00 1.53 1.52 0.68 0.73 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 0.00 163 V 7.90 4.21 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 0.28 0.00 0.00 0.24 0.00 0.00 164 D 8.67 4.36 0.00 2.66 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 0.00 165 R 8.82 3.89 0.00 1.91 1.92 0.00 3.26 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 166 A 8.20 4.01 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 0.00 167 T 7.78 3.89 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 1.31 0.00 0.00 168 C 8.10 4.39 0.00 3.10 3.28 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 0.00 169 L 8.30 4.00 0.00 1.95 1.77 1.01 0.86 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 0.00 170 R 7.84 4.22 0.00 1.88 2.03 0.00 3.19 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 171 S 7.91 4.45 0.00 4.31 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 0.00 172 T 6.88 4.72 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 1.45 0.00 0.00 173 K 8.29 4.13 0.00 1.30 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.24 7.81 174 F 7.46 4.66 0.00 3.51 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 0.00 175 T 8.48 4.35 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 1.28 0.00 0.00 176 I 8.43 4.52 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 1.01 0.00 0.00 177 T 8.34 4.46 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 1.26 0.00 0.00 178 N 8.62 4.53 0.00 2.86 3.00 0.00 0.00 5.95 8.04 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 0.00 179 N 8.20 4.91 0.00 3.08 3.09 0.00 0.00 6.61 7.05 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 0.00 180 M 8.13 5.68 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 181 F 8.82 5.11 0.00 3.01 3.03 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 0.00 182 C 8.91 5.50 0.00 2.79 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 0.00 183 A 8.79 5.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 6.95 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 0.00 0.00 0.00 0.00 184A F 8.21 5.05 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 9.09 4.46 0.00 3.42 3.71 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.03 3.98 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 187 G 8.22 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 0.00 188 G 8.99 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 188A R 7.31 4.87 0.00 1.72 1.95 0.00 2.51 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 189 D 8.80 4.66 0.00 2.81 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.71 4.80 0.00 3.92 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 0.00 191 C 9.03 4.72 0.00 2.95 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 0.00 192 Q 8.57 4.27 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 193 G 9.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.17 4.60 0.00 2.86 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 0.00 195 S 7.89 4.48 0.00 3.89 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 0.00 196 G 8.62 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 0.00 0.00 0.00 0.00 197 G 7.83 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 0.00 198 P 0.00 5.38 0.00 2.28 2.34 0.00 3.91 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 2.23 2.31 0.00 199 H 9.08 5.31 0.00 3.31 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 9.10 5.09 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 0.69 0.00 0.00 1.19 0.00 0.00 201 T 8.81 5.04 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 1.39 0.00 0.00 202 E 9.05 4.75 0.00 1.99 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 2.38 2.37 0.00 203 V 8.95 4.12 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 0.95 0.00 0.00 0.01 0.00 0.00 204 E 9.79 3.82 0.00 2.13 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 2.23 2.29 0.00 205 G 8.24 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 0.00 206 T 7.72 4.51 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 0.77 0.00 0.00 207 S 8.20 4.92 0.00 2.72 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.62 4.93 0.00 2.93 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 0.00 209 L 8.85 4.46 0.00 1.63 1.67 1.07 1.25 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 0.00 210 T 9.15 4.65 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 211 G 8.02 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 0.00 0.00 0.00 0.00 212 I 8.50 5.27 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.95 0.00 0.00 213 I 8.76 3.67 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.82 0.00 0.00 214 S 8.30 4.73 0.00 3.83 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 0.00 215 W 7.17 4.77 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.94 3.93 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 0.00 217 E 8.86 4.67 0.00 2.06 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 0.00 2.66 2.72 0.00 217 E 8.86 4.67 0.00 2.06 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 0.00 2.66 2.72 0.00 220 C 8.17 4.90 0.00 3.00 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 0.00 221 A 9.32 3.89 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 221A M 7.27 4.47 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 222 K 8.36 4.13 0.00 1.83 1.68 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.63 7.81 223 G 8.24 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 0.00 0.00 0.00 224 K 7.17 4.48 0.00 1.75 1.62 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.49 7.81 225 Y 7.80 4.92 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 G 8.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 I 7.83 4.62 0.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.36 0.48 0.00 0.00 228 Y 8.12 4.78 0.00 1.43 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 0.00 0.00 0.00 0.00 229 T 8.79 4.52 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 1.25 0.00 0.00 230 K 9.32 4.82 0.00 2.10 1.91 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.52 1.57 7.81 231 V 8.51 3.96 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.09 0.00 0.00 232 S 8.28 4.21 0.00 4.18 4.09 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 0.00 233 R 7.67 4.00 0.00 1.12 1.48 0.00 3.14 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 234 Y 7.95 4.85 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 7.69 3.84 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 1.06 0.00 0.00 1.00 0.00 0.00 236 N 8.24 4.43 0.00 2.83 2.93 0.00 0.00 6.80 7.68 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 0.00 237 W 8.34 4.21 0.00 3.51 3.59 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 0.00 238 I 8.21 3.21 2.06 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 1.69 1.40 0.84 0.00 0.00 239 K 7.75 3.84 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.69 7.81 240 E 8.00 3.95 0.00 2.02 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 2.23 2.30 0.00 241 K 7.30 3.95 0.00 0.91 1.11 0.00 1.54 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.86 0.70 7.81 242 T 6.43 2.72 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 0.35 0.00 0.00 243 K 7.33 3.97 0.00 1.71 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.49 7.81 244 L 8.31 4.60 0.00 1.67 1.64 0.98 1.07 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 0.00 245 T 8.42 4.17 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.