NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 I 4.7348 7.8300 120.1864 61.1304 40.1017 176.8236 36 F 3.9492 8.4113 121.8319 59.0929 40.0421 174.7990 *38 D 4.4542 9.0250 122.0708 54.1784 43.7110 177.1542 39 Y 4.2220 7.5923 116.6137 61.1676 37.8531 177.7636 40 Y 3.9835 7.8412 120.4376 60.7794 38.9144 177.8861 41 E 3.7737 8.1281 119.0193 59.2310 29.3700 178.6306 42 N 4.2406 7.7498 115.7456 56.7766 39.1035 176.6695 43 R 4.0950 7.6909 118.1036 59.1293 30.5674 178.5524 44 K 4.0093 7.7671 119.4536 59.2952 32.2591 179.7596 45 V 3.8961 7.6315 117.7607 62.2728 31.4722 177.7704 *47 A 4.4910 7.9993 124.2491 53.2016 20.5738 179.4786 48 E 3.9728 8.3342 115.6290 59.4555 29.6729 179.0166 49 A 4.0518 8.1250 120.5139 55.3422 18.3425 179.6510 50 Q 4.2654 8.3006 116.1960 58.9970 28.9573 178.2497 51 N 4.2732 8.5538 118.4063 56.8480 38.7896 176.7818 52 I 3.6268 7.2782 119.5965 64.5218 37.1293 177.2225 53 Y 3.8549 7.8479 120.0100 61.0875 38.2535 178.5265 54 E 3.6216 8.1371 117.9696 58.3968 29.6324 178.5150 55 K 4.2495 7.4908 115.8120 55.3822 33.1570 176.7105 56 S 4.4733 6.7041 114.9043 55.9859 64.5602 173.1949 57 P 4.5637 0.0000 0.0000 62.2902 31.9678 175.0841 *59 E 4.1000 8.2806 114.7263 56.5386 30.3496 175.5597 60 E 4.1658 8.6108 119.1042 58.1786 30.0837 177.3387 61 Q 4.6393 7.6779 116.5068 53.3882 32.2528 175.7186 62 S 4.3794 8.6737 114.6546 57.8936 62.5529 172.4811 *66 E 4.1148 8.5306 119.6591 56.4873 30.0387 177.0809 67 V 3.7736 8.3079 119.2427 60.6106 32.5877 176.1173 68 R 4.1300 8.6417 121.0758 57.1320 30.8632 177.8748 69 K 3.9619 9.4443 123.4046 59.8377 31.9631 179.1285 70 Q 4.3026 7.8109 115.7809 57.3954 28.6997 176.9949 71 F 4.6866 8.2810 119.5897 57.1760 39.3674 177.2795 72 K 3.9389 8.1403 121.0229 59.6440 31.9795 178.5966 73 A 4.1985 7.9261 120.5061 55.0541 18.3888 179.1171 74 L 4.0392 8.0794 117.0931 58.4998 41.5464 179.8354 75 Q 4.3455 8.4588 116.6463 58.8885 28.6674 178.4067 76 Q 4.2230 7.8053 118.5166 58.3922 28.8189 178.2899 77 I 4.1452 7.3832 120.5920 62.9283 37.5417 176.2866 78 N 4.7659 7.9802 118.9429 52.7285 41.3984 174.9518 79 Q 4.2109 8.8505 125.4189 58.2438 29.2013 176.8712 80 E 4.3486 8.9046 117.4015 56.4159 29.8513 176.0355 81 I 4.2984 7.7478 121.7464 61.5282 37.2203 176.2066 82 V 4.1455 8.8367 118.2674 60.1879 33.0214 175.9848 83 G 3.8545 7.1482 106.6289 46.0412 0.0000 171.1847 84 W 5.2646 8.1118 127.6812 56.1358 34.6913 174.4269 85 I 5.2997 8.4565 126.2111 59.9886 41.0795 174.4357 86 T 5.7912 8.8425 123.9628 61.5992 73.2327 172.3567 *88 D 4.5259 8.5520 120.2847 56.1019 41.7968 174.9411 89 D 4.5862 9.2230 120.0087 55.0670 39.3723 172.9117 90 T 4.8368 7.4951 105.7466 59.7515 71.8714 173.3882 91 Q 4.0790 8.5989 118.9845 57.4918 29.3558 176.5120 92 I 3.2043 7.5948 119.4144 62.1254 37.1006 175.3191 93 N 5.0289 5.8703 121.4172 53.0066 39.9686 172.6651 94 Y 4.4522 7.6175 119.0901 54.6151 42.9378 174.2705 95 P 3.8705 0.0000 0.0000 62.7309 32.6224 175.3216 96 I 4.6136 8.4400 122.2243 59.8065 39.7201 175.3410 97 V 4.8137 8.5187 119.4876 59.6687 35.0315 174.5722 98 Q 4.8852 8.7890 122.8288 54.8619 31.6992 174.4876 99 A 4.9732 8.7947 129.3371 50.0653 21.5543 176.9765 100 K 3.9695 8.4058 117.1335 59.2227 32.6249 175.9446 101 D 4.3468 7.3563 117.5864 52.4649 42.4203 174.4289 102 N 4.9586 8.5542 113.5579 53.4027 38.9145 175.5937 103 D 4.5428 8.0013 120.3647 55.9558 42.5440 177.9494 104 Y 3.6916 8.3036 119.4532 60.3629 38.9775 176.4724 105 Y 4.4785 7.1693 114.2877 57.3786 38.5451 176.7316 106 L 3.7884 7.3563 124.7108 57.7391 41.8079 178.4500 107 F 4.9678 7.5129 116.3280 57.2135 40.1963 174.2284 108 R 4.7824 7.8504 117.6396 54.2652 33.8455 175.6423 109 N 5.0269 9.0392 119.1260 51.1336 39.0313 175.2687 110 Y 4.2319 8.3091 115.2354 59.3056 37.9965 176.7240 111 K 4.1240 7.5072 118.9429 56.2862 32.4499 177.6006 112 G 4.0404 8.6027 107.8022 45.6377 0.0000 173.5690 113 E 4.3239 7.8237 118.8338 54.7761 30.6771 175.8604 114 D 5.0182 8.2141 120.8681 54.0883 41.5623 176.5742 *116 R 4.4364 8.3811 119.3564 56.5469 31.5398 176.6714 117 A 4.1158 8.0835 119.1033 52.8701 19.3210 179.2923 118 G 3.8883 8.0024 103.2323 45.9391 0.0000 172.3858 119 S 4.7511 8.1961 116.0656 56.3667 68.0744 173.6426 120 I 4.1249 7.9696 122.3195 61.3882 37.7672 174.4591 121 F 6.0969 8.2333 125.2417 54.6924 41.6028 173.1237 *123 D 5.1971 8.6099 116.0394 54.4652 41.9805 176.9277 124 Y 4.3796 9.2155 124.6433 59.8124 38.1079 177.8963 125 R 3.6968 7.3961 119.0422 58.3404 30.4670 176.8618 126 N 4.7189 7.9344 115.3554 52.8969 39.3771 173.8656 127 D 4.6516 9.3098 119.5200 52.9515 43.4164 176.6479 128 V 3.9691 8.6817 120.6730 63.2606 31.8849 176.8479 129 K 4.4303 8.0656 118.3213 56.2165 32.6562 175.6704 130 S 4.5303 7.6636 113.0071 57.9310 65.7357 172.3096 131 Q 4.5169 8.3908 122.9821 54.6544 29.8068 174.2604 132 N 5.0530 8.3841 121.3613 51.5170 42.2143 174.6662 133 R 4.0075 8.6146 121.8375 58.5836 31.5792 175.2770 134 N 5.3609 8.0217 116.6140 52.1449 41.3102 173.5502 135 T 4.5729 8.6127 123.8551 62.1251 70.0050 173.9717 136 I 4.7122 8.2999 127.1479 59.4215 39.4698 174.8655 137 L 4.8083 8.8834 126.8809 53.0914 44.4745 175.0362 138 Y 5.1195 8.6405 121.2510 56.4383 40.7711 175.0265 139 G 3.8415 8.5892 108.0927 45.1250 0.0000 172.1983 140 H 4.7193 8.4668 118.7022 55.3590 29.5575 175.5602 141 R 4.3560 8.4912 121.6768 55.7923 30.9794 176.4344 *143 K 4.3390 8.3447 120.4193 56.3295 33.8791 176.6356 144 D 4.3257 7.8984 116.0295 53.1912 39.3872 177.2608 145 G 3.9511 8.1965 107.8269 45.9240 0.0000 174.7434 146 S 4.9056 7.9813 115.7514 57.2252 61.5849 175.1376 *148 F 5.3860 7.7775 117.5861 57.6895 40.7766 177.6026 149 G 3.9051 8.5453 111.2733 47.9151 0.0000 175.5056 150 S 4.2276 8.0660 113.8365 59.3815 63.3674 175.9897 151 L 3.9794 7.8921 122.9019 57.3406 41.3160 178.4132 152 K 3.9481 7.2819 119.0453 59.2200 33.2247 178.2512 153 K 3.9045 7.5830 119.4385 56.0169 30.0978 178.2046 *155 L 4.3846 7.5972 118.1396 54.4011 44.2332 178.0235 156 D 4.7259 7.9809 118.6934 53.2087 42.6411 176.4990 157 E 2.7641 8.6789 127.1799 59.0609 29.7175 178.3572 158 E 4.0459 8.1163 118.0007 59.0427 29.9278 178.0031 159 F 4.1493 8.1389 119.2738 61.0995 39.8525 176.8399 160 F 4.0783 8.3555 117.4647 59.4602 39.1453 176.2227 *162 S 4.2877 7.8696 109.4720 57.7800 64.9140 173.4351 163 H 4.5600 7.6902 116.8482 54.6251 28.8360 173.2252 164 R 4.2737 7.4546 116.0490 55.4312 32.1393 176.4394 165 K 5.3731 7.9465 120.5763 53.6083 34.6597 174.7980 166 L 4.6615 8.0775 125.3833 54.5106 44.9956 173.9360 167 Y 5.3080 9.2832 116.7577 56.3909 40.7846 174.4807 168 Y 5.4222 9.4417 125.2895 56.0304 41.9006 173.7489 169 D 5.4064 9.1705 126.4716 52.7576 44.6356 175.5959 170 T 4.7379 8.4807 113.0369 59.3841 71.8120 175.0747 171 L 2.9538 7.5656 120.5396 56.7575 41.4550 179.2619 172 F 4.7822 7.2017 114.7520 57.7086 40.9872 175.1460 173 E 4.5788 7.6569 118.5679 54.9602 32.6995 173.7365 174 G 4.4196 8.1613 111.1399 44.8177 0.0000 172.2285 175 Y 5.2766 9.4054 119.7259 56.2605 42.8964 174.0093 176 D 5.3634 9.4124 121.4706 53.0925 43.7913 175.4809 177 L 5.1289 8.9220 121.9049 52.9614 45.0659 175.2175 178 E 4.5912 8.9271 124.6292 54.0674 31.4071 175.0166 179 V 4.2329 8.7603 128.7512 63.0947 31.7944 175.5897 180 F 5.1799 8.7541 120.7070 56.4245 39.5278 174.7158 181 S 5.2069 7.6752 113.8070 57.7406 65.9067 173.0501 182 V 4.8737 8.1546 125.1966 60.4348 34.8717 173.4581 183 Y 5.0518 7.9793 120.8021 56.5868 41.8148 172.8477 184 T 5.2118 8.5734 109.9087 60.2287 71.3268 173.3694 185 T 4.6903 8.7527 113.7760 60.2205 72.6691 173.6263 186 T 4.8592 7.8526 113.4866 60.7844 67.5683 171.2594 *190 Y 4.7042 7.3994 121.4259 56.6176 39.6187 174.1134 191 Y 4.9810 8.5927 119.5985 56.3441 40.8247 174.5089 192 I 4.3868 8.4428 127.8861 59.2386 39.4646 175.4768 193 E 3.8768 8.2611 124.2276 56.4258 29.9334 176.7784 194 T 4.3698 8.0423 117.8033 63.2694 71.1741 174.1201 195 D 4.7604 7.2756 119.7543 52.0390 43.5517 175.1236 196 F 4.8240 8.3768 121.5852 55.5579 42.0384 175.5537 197 S 4.3561 8.8955 119.8444 60.4928 63.7956 174.2803 198 S 4.6899 7.7128 114.7631 56.0039 67.0185 174.3326 199 D 4.5016 8.7646 121.6008 57.8342 40.4395 179.2216 200 T 3.8724 7.7352 116.3453 66.7586 68.4716 176.3764 201 E 4.0807 8.2356 119.8254 59.6392 29.5160 178.6439 202 Y 3.6431 7.9702 119.0575 60.8387 38.7136 178.1156 203 T 3.6068 8.4156 116.9509 66.7679 68.5721 176.7186 204 S 4.0711 8.1892 116.9222 61.3823 62.8486 176.3801 205 F 4.2061 8.3970 123.3461 61.4801 39.2027 177.1120 206 L 3.5704 7.8773 118.6525 57.6189 41.3019 179.3497 207 E 3.8141 8.1345 118.5746 59.2069 29.4179 179.2740 208 K 3.7771 7.8388 119.6555 59.6020 32.0708 178.9059 209 I 3.5946 7.1224 111.7414 63.7600 37.5520 177.6067 210 Q 4.3051 8.1607 121.8086 58.8940 28.6856 177.8025 211 E 3.9494 8.1327 118.0040 59.1521 29.7291 178.9972 212 K 3.8636 7.6978 118.3365 57.4703 31.9917 177.4941 213 S 4.4337 7.3153 114.9372 58.0821 62.8882 174.9590 214 L 3.7013 8.3696 127.7070 56.9725 41.4438 177.4504 215 Y 4.7998 6.4296 111.7531 55.6579 40.6341 175.7879 216 K 4.3798 8.6218 123.6292 56.9329 33.0231 176.3345 217 T 4.8132 8.0328 116.2473 62.7062 72.3867 173.5012 218 D 4.7573 8.5652 122.4494 53.4361 39.8371 176.6659 219 T 3.9112 7.8041 117.3199 64.2393 68.8821 173.4017 220 T 4.3822 8.2387 120.9738 60.2770 68.9128 174.1150 221 V 4.3907 7.8245 126.6436 60.1118 33.8402 174.4276 222 T 4.5065 9.1566 114.0288 59.0785 71.7896 174.3777 223 A 4.1918 8.5161 123.2739 54.8406 18.3517 179.0607 224 G 3.7388 7.6096 102.6958 47.5503 0.0000 173.8589 225 D 4.8072 7.9087 119.6590 53.5493 42.3308 175.5193 226 Q 5.1752 8.3658 119.3534 54.2955 32.5787 174.4571 227 I 5.2123 8.9986 114.4970 59.3212 42.0057 173.9583 228 V 4.8413 8.6944 121.4912 61.3302 34.7675 174.0819 229 T 4.8528 9.0180 123.8017 61.6739 71.5816 172.8591 230 L 4.8944 8.5047 126.3228 52.9238 44.2783 175.4730 231 S 4.8884 9.0932 118.2570 57.1075 65.8137 173.8273 232 T 5.2422 7.9670 123.5687 62.1085 70.9301 173.4645 *234 D 4.2014 8.4990 121.1164 55.4466 41.9778 175.5823 235 Y 4.8282 8.1123 116.4155 57.3648 39.7184 176.8195 236 A 3.9071 8.8274 123.5101 56.3644 18.4938 180.2143 237 L 3.3945 6.9841 115.8808 55.8638 39.1195 174.3888 *242 G 3.7806 7.9247 112.2906 44.8364 0.0000 169.8344 243 R 4.6650 8.6433 121.3734 54.1428 34.0988 173.4176 244 L 4.9062 8.4510 127.1626 53.4472 44.5366 174.8916 245 V 4.5907 8.4474 125.7118 60.8696 34.7201 174.1871 246 V 4.5797 8.2116 126.6515 61.2332 34.7228 173.6900 247 H 5.2456 8.9806 124.0150 53.8270 31.9447 172.7745 248 A 5.0635 8.7226 123.2176 49.8979 22.9022 175.0239 249 K 4.6543 9.3639 122.6954 55.8962 33.7862 175.7188 250 L 4.5221 8.8143 130.2788 54.8178 43.0135 176.1020 251 V 4.5336 8.9393 125.7921 60.8764 34.4495 174.8866 252 K 4.6570 9.0555 127.4647 56.5946 33.0270 177.4681 253 R 4.2225 8.4261 120.9603 56.4998 30.2563 176.4821 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 35 I 7.83 4.73 1.86 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 0.61 1.70 1.14 0.00 0.00 36 F 8.41 3.95 0.00 3.31 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 *38 D 9.02 4.45 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.59 4.22 0.00 3.20 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 40 Y 7.84 3.98 0.00 2.71 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 41 E 8.13 3.77 0.00 1.97 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 2.50 2.33 0.00 42 N 7.75 4.24 0.00 2.80 3.01 0.00 0.00 7.28 7.01 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 43 R 7.69 4.09 0.00 1.90 1.96 0.00 3.46 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 44 K 7.77 4.01 0.00 1.42 1.76 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.36 7.81 45 V 7.63 3.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.80 0.00 0.00 *47 A 8.00 4.49 1.44 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 48 E 8.33 3.97 0.00 2.17 2.31 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 2.45 2.41 0.00 49 A 8.13 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.30 4.27 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.94 2.75 0.00 51 N 8.55 4.27 0.00 2.93 3.01 0.00 0.00 7.20 8.49 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 52 I 7.28 3.63 2.06 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 1.43 0.78 0.91 0.00 0.00 53 Y 7.85 3.85 0.00 2.42 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 54 E 8.14 3.62 0.00 1.94 1.86 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 2.23 2.41 0.00 55 K 7.49 4.25 0.00 1.86 1.76 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 56 S 6.70 4.47 0.00 3.88 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 57 P 0.00 4.56 0.00 2.11 2.07 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 *59 E 8.28 4.10 0.00 2.10 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 2.15 2.44 0.00 60 E 8.61 4.17 0.00 1.96 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 2.26 2.28 0.00 61 Q 7.68 4.64 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 62 S 8.67 4.38 0.00 4.20 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 0.00 *66 E 8.53 4.11 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 2.24 2.40 0.00 67 V 8.31 3.77 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 0.66 0.00 0.00 0.98 0.00 0.00 68 R 8.64 4.13 0.00 2.21 2.18 0.00 3.38 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 69 K 9.44 3.96 0.00 1.71 1.90 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.68 7.81 70 Q 7.81 4.30 0.00 1.49 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 71 F 8.28 4.69 0.00 3.22 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 72 K 8.14 3.94 0.00 1.88 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 73 A 7.93 4.20 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 74 L 8.08 4.04 0.00 2.06 1.95 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.46 4.35 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 76 Q 7.81 4.22 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 77 I 7.38 4.15 2.25 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 1.16 0.00 0.00 78 N 7.98 4.77 0.00 2.92 2.79 0.00 0.00 7.28 7.02 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 79 Q 8.85 4.21 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 80 E 8.90 4.35 0.00 2.34 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 2.39 2.33 0.00 81 I 7.75 4.30 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 1.06 0.00 0.00 82 V 8.84 4.15 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 0.78 0.00 0.00 0.97 0.00 0.00 83 G 7.15 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.11 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.62 4.45 0.00 2.55 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 0.00 0.00 0.00 0.00 95 P 0.00 3.87 0.00 1.84 1.74 0.00 3.29 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.00 96 I 8.44 4.61 1.91 0.00 0.00 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 1.25 0.75 0.98 0.00 0.00 97 V 8.52 4.81 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 0.46 0.00 0.00 0.28 0.00 0.00 98 Q 8.79 4.89 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 99 A 8.79 4.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.41 3.97 0.00 1.82 1.94 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.30 1.27 7.81 101 D 7.36 4.35 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 157 E 8.68 2.76 0.00 1.64 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.51 0.00 158 E 8.12 4.05 0.00 1.99 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 2.30 2.42 0.00 159 F 8.14 4.15 0.00 3.05 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.36 4.08 0.00 3.29 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 *162 S 7.87 4.29 0.00 3.87 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 0.00 163 H 7.69 4.56 0.00 2.69 2.98 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 7.45 4.27 0.00 1.50 1.70 0.00 2.51 0.00 0.00 2.96 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.99 0.00 165 K 7.95 5.37 0.00 1.54 1.46 0.00 0.84 0.00 0.00 2.33 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.96 0.76 7.81 166 L 8.08 4.66 0.00 1.99 1.64 0.90 0.49 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 0.00 167 Y 9.28 5.31 0.00 3.03 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 0.00 168 Y 9.44 5.42 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 D 9.17 5.41 0.00 2.93 2.79 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 0.00 170 T 8.48 4.74 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 171 L 7.57 2.95 0.00 0.27 0.74 0.63 0.64 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 0.00 172 F 7.20 4.78 0.00 3.09 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 0.00 173 E 7.66 4.58 0.00 2.07 1.53 0.00 0.00 0.00 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 2.02 0.00 174 G 8.16 4.42 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 0.00 175 Y 9.41 5.28 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 9.41 5.36 0.00 2.65 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 0.00 177 L 8.92 5.13 0.00 1.57 1.51 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.93 4.59 0.00 2.02 1.86 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 2.23 2.20 0.00 179 V 8.76 4.23 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 0.75 0.00 0.00 0.81 0.00 0.00 180 F 8.75 5.18 0.00 2.99 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 0.00 181 S 7.68 5.21 0.00 3.86 3.31 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 0.00 182 V 8.15 4.87 2.20 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 0.64 0.00 0.00 0.92 0.00 0.00 183 Y 7.98 5.05 0.00 3.00 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 0.00 184 T 8.57 5.21 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 1.19 0.00 0.00 185 T 8.75 4.69 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 1.36 0.00 0.00 186 T 7.85 4.86 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 1.22 0.00 0.00 *190 Y 7.40 4.70 0.00 3.22 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 0.00 191 Y 8.59 4.98 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 I 8.44 4.39 1.96 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 1.53 0.91 1.07 0.00 0.00 193 E 8.26 3.88 0.00 1.16 1.12 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 2.05 1.85 0.00 194 T 8.04 4.37 4.12 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 1.14 0.00 0.00 195 D 7.28 4.76 0.00 2.43 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.82 0.00 2.91 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 0.00 197 S 8.90 4.36 0.00 4.01 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 0.00 198 S 7.71 4.69 0.00 4.06 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 0.00 199 D 8.76 4.50 0.00 2.78 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 0.00 200 T 7.74 3.87 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 0.00 201 E 8.24 4.08 0.00 2.39 2.28 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 2.52 2.55 0.00 202 Y 7.97 3.64 0.00 2.69 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 0.00 203 T 8.42 3.61 4.42 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 1.14 0.00 0.00 204 S 8.19 4.07 0.00 4.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.40 4.21 0.00 3.31 3.19 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 0.00 206 L 7.88 3.57 0.00 1.49 1.35 0.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 207 E 8.13 3.81 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 208 K 7.84 3.78 0.00 1.87 1.81 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.34 7.81 209 I 7.12 3.59 1.65 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.42 0.00 0.00 210 Q 8.16 4.31 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 211 E 8.13 3.95 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 2.22 2.45 0.00 212 K 7.70 3.86 0.00 1.58 1.21 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.27 7.81 213 S 7.32 4.43 0.00 3.88 3.73 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 0.00 214 L 8.37 3.70 0.00 0.70 0.13 0.63 0.66 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 0.00 215 Y 6.43 4.80 0.00 2.02 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 K 8.62 4.38 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 217 T 8.03 4.81 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 218 D 8.57 4.76 0.00 2.78 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 0.00 219 T 7.80 3.91 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 1.22 0.00 0.00 220 T 8.24 4.38 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 1.17 0.00 0.00 221 V 7.82 4.39 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 0.04 0.00 0.00 0.57 0.00 0.00 222 T 9.16 4.51 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 1.12 0.00 0.00 223 A 8.52 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 G 7.61 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 D 7.91 4.81 0.00 2.78 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 0.00 226 Q 8.37 5.18 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 227 I 9.00 5.21 2.24 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 1.14 0.00 0.00 228 V 8.69 4.84 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 0.73 0.00 0.00 0.41 0.00 0.00 229 T 9.02 4.85 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 1.06 0.00 0.00 230 L 8.50 4.89 0.00 1.06 0.72 0.53 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 231 S 9.09 4.89 0.00 3.64 3.40 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 0.00 232 T 7.97 5.24 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *234 D 8.50 4.20 0.00 2.60 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 0.00 235 Y 8.11 4.83 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.83 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 0.00 237 L 6.98 3.39 0.00 1.72 1.92 0.97 1.04 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 *242 G 7.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 R 8.64 4.66 0.00 1.91 1.89 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 244 L 8.45 4.91 0.00 1.75 1.43 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 245 V 8.45 4.59 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 0.00 0.00 0.43 0.00 0.00 0.82 0.00 0.00 246 V 8.21 4.58 1.77 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 0.84 0.00 0.00 0.75 0.00 0.00 247 H 8.98 5.25 0.00 2.00 2.61 0.00 5.61 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 0.00 248 A 8.72 5.06 1.11 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 0.00 0.00 249 K 9.36 4.65 0.00 1.91 1.77 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.37 7.81 250 L 8.81 4.52 0.00 1.66 1.60 0.66 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 251 V 8.94 4.53 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 1.02 0.00 0.00 0.98 0.00 0.00 252 K 9.06 4.66 0.00 1.79 1.81 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.71 1.73 7.81 253 R 8.43 4.22 0.00 1.79 1.86 0.00 3.24 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.