NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1654 8.3144 122.1420 54.0899 33.2665 175.3489 5 K 4.1318 8.2408 121.5965 55.8296 32.2557 173.9613 6 K 4.6179 8.6360 125.8873 54.3360 36.5016 175.2848 7 G 4.1913 8.3313 108.4114 44.8165 0.0000 171.9358 8 Y 5.5433 8.6456 117.4883 56.1822 42.4555 174.5203 9 L 5.3059 9.0088 122.2221 54.8368 44.7911 173.9813 10 R 5.2034 9.4171 120.8525 54.7728 32.8821 174.3987 11 I 4.5575 8.8434 127.9819 60.4211 38.9303 174.8627 12 V 4.7957 9.3513 128.9055 60.9056 32.8160 174.9007 13 T 5.3724 8.7006 118.3503 59.7345 71.3386 174.6548 14 T 4.3320 8.8438 112.0347 62.6513 69.0431 174.4619 15 Q 4.6536 8.8180 122.2604 56.2799 30.2540 174.4367 16 G 4.2083 8.2837 103.0688 44.1794 0.0000 173.4507 17 S 5.4201 8.5474 114.7249 56.5007 66.8780 173.1832 18 L 4.9593 8.9662 122.0347 53.1022 45.2810 175.3137 19 N 5.1590 9.3732 122.1536 52.4791 40.2310 174.2971 20 I 4.9247 8.9861 124.5700 59.3896 41.4527 173.8948 21 E 4.5833 8.7856 127.5094 54.6066 31.4795 174.5008 22 L 4.5087 8.2127 127.8959 53.6351 43.3089 177.1580 23 H 5.0910 8.6524 124.3479 54.9970 26.1275 176.2787 24 A 4.3434 7.8771 120.3488 54.2480 18.6809 179.8789 25 D 4.4582 7.9353 114.7182 55.4700 39.8150 177.2195 26 M 4.5652 8.0864 116.3315 55.1501 34.9258 175.5462 27 A 4.8073 8.1466 121.4580 49.1097 19.4446 174.8442 28 P 4.6376 0.0000 0.0000 65.7769 31.7466 178.9873 29 R 3.7713 8.5575 117.4154 58.9170 30.0687 178.6838 30 A 3.8156 8.3682 120.6048 55.4094 18.2144 179.5741 31 C 4.2098 8.1280 115.0598 62.8984 28.1941 175.6949 32 D 3.7616 8.2323 119.9853 57.1605 40.7844 178.1968 33 S 2.9788 7.6930 113.7660 60.8945 62.2286 175.7767 34 F 4.0406 7.8323 123.0956 61.5060 39.1628 177.1192 35 L 4.1688 8.3366 118.6790 57.9161 40.1060 179.7883 36 R 3.9068 8.1691 118.3022 58.9809 30.0053 179.0570 37 L 4.0487 7.5458 118.8372 57.5295 41.4541 179.1673 38 C 4.2154 8.1397 116.6328 62.8089 27.9102 175.9240 39 A 4.0507 7.8963 121.1863 54.0935 17.9578 178.8552 40 V 4.1579 6.7867 115.0706 60.7209 32.3312 176.5043 41 K 3.9683 8.0074 118.4261 57.3034 30.4189 176.7531 42 Y 3.9074 7.7290 122.7647 60.8392 38.8368 178.2759 43 F 4.6017 8.0366 116.0155 58.3775 39.6692 175.1421 44 D 4.6408 7.8628 122.0815 55.7768 40.9446 176.6112 45 D 4.7408 9.4832 123.4210 54.3842 39.8746 174.3871 46 T 4.4800 7.6095 109.9578 61.5868 68.8392 173.3287 47 I 4.9165 8.0954 115.1363 59.1559 41.6644 174.1745 48 F 4.6841 8.7911 121.8350 56.8036 38.8468 175.7255 49 H 4.7931 8.7272 120.0956 55.6000 30.7079 174.5863 50 R 5.0376 7.5635 119.7672 54.7164 33.2090 173.2404 51 C 5.2357 9.4608 126.9259 57.9862 34.7593 173.1161 52 I 4.6446 8.9735 127.5409 59.1699 39.8142 175.3271 53 R 3.8911 8.9654 127.1515 58.2397 30.1784 175.6708 54 N 4.5353 9.4428 120.1480 53.8033 37.8532 173.9262 55 F 5.3667 8.8035 117.9460 58.5149 41.2482 175.1287 56 M 4.3986 8.4945 112.3342 54.1907 35.5712 174.5419 57 I 4.9004 7.9018 119.0065 59.1588 41.4676 173.7566 58 Q 4.9411 9.2355 129.4304 54.7807 32.3376 174.8259 59 G 3.2679 7.9582 110.8242 45.6447 0.0000 174.2707 60 G 4.2237 7.5254 112.2478 45.9215 0.0000 173.3070 61 R 4.2768 7.6785 120.3540 54.5084 30.5545 176.7931 62 A 3.7247 8.4957 129.5492 55.2533 18.5178 179.2562 63 E 4.1095 8.1289 113.7584 58.6831 29.6067 177.6603 64 L 4.5130 7.3228 116.2121 53.9948 42.1559 176.3119 65 R 4.0198 7.5966 120.7798 56.8323 30.5092 175.8806 66 Q 4.5048 8.7347 126.3519 54.0296 29.7953 173.4284 67 P 3.8092 0.0000 0.0000 62.6820 31.6173 175.8843 *74 Q 4.2811 8.8242 125.2059 55.9343 30.6721 175.0498 75 Q 4.4079 7.6002 115.3546 54.2204 30.1657 175.6693 76 S 4.2162 8.4403 116.4006 57.8469 62.8735 172.5737 77 P 4.3334 0.0000 0.0000 64.2522 31.8588 176.0973 78 R 4.6253 7.5950 118.7728 54.4084 31.3412 175.7892 79 S 4.8914 9.2985 121.2349 58.2759 63.3394 173.8599 80 I 4.6764 7.9893 117.0833 58.8805 40.4795 174.8084 81 S 4.6779 7.7464 116.3426 57.2505 63.9405 174.2702 82 G 3.4680 8.3129 108.2124 45.5414 0.0000 174.3615 83 F 4.5602 6.9457 118.1604 55.8594 39.7896 173.3083 84 P 4.4197 0.0000 0.0000 64.4072 31.4682 176.2319 85 G 3.9679 8.8677 110.8041 44.1229 0.0000 175.0901 86 G 3.8411 8.4830 106.1724 45.6153 0.0000 173.4487 87 A 4.3979 7.2929 122.5114 50.9983 18.9447 176.3641 88 P 4.8303 0.0000 0.0000 62.9030 31.8895 175.5339 89 F 5.1350 8.0929 116.2226 54.7624 41.1099 174.7206 90 E 4.2468 8.7838 119.0363 56.3617 30.0126 176.8962 91 D 4.3323 8.8683 121.5545 54.5282 41.4821 176.5713 92 E 4.2273 8.0225 120.4422 55.1812 31.9945 175.1179 93 F 5.3272 8.1558 122.0807 55.8586 42.0541 174.9773 94 D 4.7681 8.3571 121.0511 53.0009 43.9893 176.1072 95 N 4.3970 8.9022 123.6571 55.9361 38.7360 176.2003 96 R 4.0721 8.1990 115.9471 57.0287 30.5077 176.2440 97 L 4.5346 7.8531 118.3337 53.0628 41.8938 176.0370 98 V 4.6478 7.8783 116.0577 59.6945 35.6652 176.6111 99 H 4.5874 9.1813 120.8051 54.9440 26.9876 174.2448 100 Q 4.6593 7.6667 120.1201 54.8769 31.4056 176.5534 101 G 3.9330 8.8863 115.9614 44.4234 0.0000 172.5889 102 I 4.0063 8.0711 118.3057 62.0911 38.7234 176.1490 103 G 3.8055 9.1625 114.6238 45.5688 0.0000 172.5948 104 V 4.0158 7.8614 120.5591 61.9248 32.9071 174.5540 105 L 4.7696 8.1369 130.3129 53.6548 43.3864 175.0611 106 S 5.1114 8.3937 120.4828 56.6103 66.5023 172.5495 107 M 5.0570 9.3192 124.7426 55.1637 32.3447 176.4012 108 A 4.7720 9.1009 126.2157 52.1682 19.7137 176.1787 109 N 4.9569 8.6238 116.2724 52.4403 40.3934 173.6635 110 D 4.8699 8.6065 116.7764 54.3673 41.3822 175.2768 111 G 3.6765 8.8980 104.7615 43.5252 0.0000 173.3724 112 K 3.7064 8.5506 118.2219 58.5199 32.4598 176.0638 113 H 4.2548 8.8770 124.3574 57.4628 26.8103 174.7330 114 S 4.6836 7.4924 106.1344 57.7771 63.8432 174.2039 115 N 4.4207 7.4919 117.7484 53.3782 39.1381 174.0858 116 L 4.7735 8.1957 121.3856 54.6352 44.5210 177.3469 117 S 4.8460 8.4147 119.2253 58.1506 65.7553 174.9953 118 E 4.7389 8.3273 121.8815 56.4622 30.5790 175.7967 119 F 5.9553 8.6478 117.9460 55.5349 42.3213 173.0011 120 F 5.5630 9.7270 113.5055 55.3265 41.9582 173.4701 121 I 5.6230 8.9481 120.3396 58.6021 40.1710 175.4611 122 T 4.3420 8.4791 117.2228 62.0499 69.6522 174.9746 123 F 4.9167 9.1818 122.2537 58.9621 40.6344 175.6371 124 K 4.8736 7.9825 115.0019 54.3827 36.6397 176.3884 125 S 4.6209 8.7330 117.2758 58.7221 63.4256 175.5973 126 C 4.9014 8.6870 117.3346 57.5499 29.8649 174.9684 127 E 4.4622 8.1351 118.9133 58.6969 29.8256 178.9767 128 H 4.3986 8.1589 114.2629 57.4218 28.8981 176.0410 129 L 4.3127 7.8429 120.0377 55.4403 42.0885 176.4780 130 N 4.5069 7.6731 116.8200 54.9980 38.7916 174.3425 131 N 3.1400 8.5704 117.7418 53.2861 36.1183 174.7748 132 K 4.4321 7.7932 119.9738 56.5973 34.4077 176.1336 133 H 5.0837 8.1176 114.0632 53.8431 32.3093 172.8805 134 T 4.4429 8.7515 120.3013 63.7480 69.2083 173.6391 135 I 4.5557 8.6125 128.9082 61.1422 37.7605 176.0474 136 F 4.9428 9.0980 120.1199 56.3063 40.2450 174.3858 137 G 3.6896 7.0588 105.6881 46.4776 0.0000 172.0845 138 R 4.9762 7.9149 114.3341 54.7529 33.1438 174.5503 139 V 4.1822 8.5787 122.3780 63.1580 31.5955 176.1211 140 V 4.3007 8.8742 120.8258 61.3438 33.1548 176.2439 141 G 3.8998 7.9965 106.9378 45.9643 0.0000 174.2718 142 G 4.1544 8.8021 112.8972 45.8848 0.0000 175.6853 143 L 3.9379 7.9374 121.6981 57.3002 41.7805 178.5078 144 D 4.3461 7.9201 118.6018 56.8476 40.7450 178.7644 145 V 3.3034 7.4441 118.5842 65.7346 31.5819 177.6187 146 L 3.6152 7.0754 118.7315 58.0960 41.2827 179.9179 147 R 3.8732 7.6885 116.6217 59.0165 30.1901 178.8690 148 Q 4.1214 7.8221 117.3089 59.1330 28.7236 178.4535 149 W 4.4363 8.3157 121.1132 59.5591 28.8436 177.9970 150 E 3.2499 7.8415 118.4009 58.5211 28.9534 178.2230 151 K 4.1937 7.6096 116.0984 55.8002 32.8785 176.9639 152 L 4.0875 7.2780 122.1759 56.0147 42.3349 177.7901 153 E 4.2884 8.8283 120.8543 56.8293 31.2301 173.8660 154 T 5.1292 8.4120 117.4449 59.7909 71.9282 173.3690 155 D 4.8285 8.9636 127.9128 52.6586 41.8650 177.6418 156 K 4.1307 8.5986 119.0463 57.2038 31.8458 173.4694 157 K 4.5037 8.1650 114.7102 56.4131 32.3316 175.8221 158 D 4.5141 7.9587 116.5055 54.3869 39.0518 172.9490 159 K 5.1299 8.4174 120.6354 53.8606 32.9737 174.5197 160 P 4.7968 0.0000 0.0000 62.7143 31.9280 176.5521 161 L 4.1356 8.7480 122.5206 57.0502 41.6748 177.7678 162 K 4.4717 7.5189 117.9278 53.3590 32.0001 172.7237 163 P 4.3062 0.0000 0.0000 61.2383 32.3952 174.8464 164 P 4.2776 0.0000 0.0000 62.7577 32.3879 174.9153 165 K 5.0457 8.6235 125.3547 54.2785 35.1663 175.1711 166 V 4.1826 8.9332 128.1839 63.5777 31.8005 176.2650 167 E 4.2523 9.8619 129.1948 58.9808 30.5677 176.4635 168 E 4.9590 7.9291 114.7689 55.5503 33.1948 173.6924 169 I 5.0375 8.3104 120.6024 59.7280 40.1231 175.1626 170 I 4.1071 8.6832 129.0518 59.8935 38.5407 175.1386 171 V 4.4325 8.1940 128.1127 62.2262 31.4564 175.4291 172 F 4.6451 9.1838 127.2857 58.8203 40.4892 176.5491 173 K 4.5247 8.1382 120.1568 55.1446 35.6915 174.4731 174 N 5.0109 8.9055 126.8532 51.2546 39.3850 173.0361 175 P 4.3829 0.0000 0.0000 64.0365 31.7417 176.9796 176 F 4.4029 8.2270 117.6099 57.6637 39.5532 175.6337 177 E 4.4315 8.1916 125.1599 56.5852 30.1035 175.0868 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 4 K 8.31 4.17 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 K 8.24 4.13 0.00 1.85 1.66 0.00 1.47 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.25 1.41 7.81 6 K 8.64 4.62 0.00 1.45 1.21 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.35 7.81 7 G 8.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.65 5.54 0.00 2.99 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 9 L 9.01 5.31 0.00 2.00 1.84 1.00 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 10 R 9.42 5.20 0.00 2.16 2.06 0.00 3.25 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 11 I 8.84 4.56 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 1.23 0.00 0.00 12 V 9.35 4.80 2.29 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 1.14 0.00 0.00 1.02 0.00 0.00 13 T 8.70 5.37 4.55 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 1.67 0.00 0.00 14 T 8.84 4.33 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 1.39 0.00 0.00 15 Q 8.82 4.65 0.00 2.17 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 16 G 8.28 4.21 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 0.00 17 S 8.55 5.42 0.00 3.79 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 18 L 8.97 4.96 0.00 1.55 1.47 0.91 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.37 5.16 0.00 2.77 2.72 0.00 0.00 6.37 7.83 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 20 I 8.99 4.92 1.81 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 0.91 0.58 0.64 0.00 0.00 21 E 8.79 4.58 0.00 2.10 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 1.95 1.75 0.00 22 L 8.21 4.51 0.00 1.61 1.50 0.52 0.88 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 23 H 8.65 5.09 0.00 3.05 3.32 0.00 5.62 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 24 A 7.88 4.34 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 25 D 7.94 4.46 0.00 2.79 2.89 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 26 M 8.09 4.57 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 27 A 8.15 4.81 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 28 P 0.00 4.64 0.00 2.39 2.63 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 29 R 8.56 3.77 0.00 2.03 1.78 0.00 3.08 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 30 A 8.37 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.13 4.21 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.23 3.76 0.00 1.84 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 33 S 7.69 2.98 0.00 2.72 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 34 F 7.83 4.04 0.00 3.24 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 35 L 8.34 4.17 0.00 1.99 1.80 1.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.17 3.91 0.00 1.68 1.84 0.00 2.93 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 37 L 7.55 4.05 0.00 1.58 0.95 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.14 4.22 0.00 3.20 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 39 A 7.90 4.05 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 40 V 6.79 4.16 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 0.84 0.00 0.00 0.90 0.00 0.00 41 K 8.01 3.97 0.00 2.02 2.13 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.36 7.81 42 Y 7.73 3.91 0.00 2.81 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 43 F 8.04 4.60 0.00 3.16 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 44 D 7.86 4.64 0.00 2.77 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 45 D 9.48 4.74 0.00 2.83 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 46 T 7.61 4.48 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 47 I 8.10 4.92 1.87 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 1.44 0.91 0.91 0.00 0.00 48 F 8.79 4.68 0.00 2.62 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.73 4.79 0.00 3.19 3.48 0.00 5.20 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.56 5.04 0.00 1.82 1.63 0.00 3.15 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 51 C 9.46 5.24 0.00 2.99 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 52 I 8.97 4.64 2.23 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 1.24 1.25 1.11 0.00 0.00 53 R 8.97 3.89 0.00 1.78 1.90 0.00 3.33 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 54 N 9.44 4.54 0.00 3.00 3.01 0.00 0.00 6.68 8.18 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 55 F 8.80 5.37 0.00 3.09 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 56 M 8.49 4.40 0.00 1.65 1.93 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.17 0.00 57 I 7.90 4.90 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.94 1.07 0.00 0.00 58 Q 9.24 4.94 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.20 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 59 G 7.96 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 0.00 0.00 0.00 60 G 7.53 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 61 R 7.68 4.28 0.00 1.83 1.73 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7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 76 S 8.44 4.22 0.00 3.88 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 77 P 0.00 4.33 0.00 2.19 2.12 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 78 R 7.60 4.63 0.00 1.79 1.86 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 79 S 9.30 4.89 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.99 4.68 1.82 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 1.74 0.38 0.93 0.00 0.00 81 S 7.75 4.68 0.00 4.26 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 82 G 8.31 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 6.95 4.56 0.00 3.15 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 84 P 0.00 4.42 0.00 2.05 2.01 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 85 G 8.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.48 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.29 4.40 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 88 P 0.00 4.83 0.00 2.03 2.02 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 89 F 8.09 5.14 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.78 4.25 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.24 0.00 91 D 8.87 4.33 0.00 2.33 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.02 4.23 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 93 F 8.16 5.33 0.00 3.08 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 94 D 8.36 4.77 0.00 2.68 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 95 N 8.90 4.40 0.00 2.77 2.89 0.00 0.00 7.08 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 96 R 8.20 4.07 0.00 1.91 1.96 0.00 3.12 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 97 L 7.85 4.53 0.00 1.78 1.62 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.88 4.65 2.29 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 0.77 0.00 0.00 0.94 0.00 0.00 99 H 9.18 4.59 0.00 3.40 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.67 4.66 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 109 N 8.62 4.96 0.00 2.77 2.82 0.00 0.00 5.89 8.06 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 0.00 110 D 8.61 4.87 0.00 2.66 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 0.00 111 G 8.90 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 0.00 112 K 8.55 3.71 0.00 1.70 1.77 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 1.42 7.81 113 H 8.88 4.25 0.00 3.30 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.49 4.68 0.00 3.89 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 0.00 115 N 7.49 4.42 0.00 1.44 1.57 0.00 0.00 6.85 6.62 0.00 0.00 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 L 8.20 4.77 0.00 1.68 1.45 0.97 1.07 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 0.00 117 S 8.41 4.85 0.00 4.08 4.05 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 0.00 118 E 8.33 4.74 0.00 2.07 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 2.65 2.41 0.00 119 F 8.65 5.96 0.00 3.37 3.45 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 0.00 120 F 9.73 5.56 0.00 2.99 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 0.00 121 I 8.95 5.62 1.91 0.00 0.00 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 0.95 1.23 0.84 0.00 0.00 122 T 8.48 4.34 4.55 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 1.36 0.00 0.00 123 F 9.18 4.92 0.00 3.21 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 0.00 124 K 7.98 4.87 0.00 1.94 1.80 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 125 S 8.73 4.62 0.00 3.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.69 4.90 0.00 3.15 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 0.00 127 E 8.14 4.46 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 2.53 2.43 0.00 128 H 8.16 4.40 0.00 3.26 3.41 0.00 5.52 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 0.00 129 L 7.84 4.31 0.00 1.81 1.48 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.67 4.51 0.00 2.78 2.75 0.00 0.00 6.98 8.14 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 0.00 131 N 8.57 3.14 0.00 2.56 2.38 0.00 0.00 6.74 7.61 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 0.00 132 K 7.79 4.43 0.00 1.74 1.86 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 133 H 8.12 5.08 0.00 3.48 3.66 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.75 4.44 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 1.41 0.00 0.00 135 I 8.61 4.56 1.91 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.86 0.00 0.00 136 F 9.10 4.94 0.00 3.09 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 0.00 137 G 7.06 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 0.00 0.00 0.00 0.00 138 R 7.91 4.98 0.00 1.80 1.92 0.00 2.75 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 139 V 8.58 4.18 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 0.71 0.00 0.00 0.84 0.00 0.00 140 V 8.87 4.30 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 0.73 0.00 0.00 0.98 0.00 0.00 141 G 8.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.80 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.94 3.94 0.00 1.65 1.68 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.92 4.35 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.44 3.30 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 0.24 0.00 0.00 0.79 0.00 0.00 146 L 7.08 3.62 0.00 1.81 1.86 0.88 0.83 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 0.00 147 R 7.69 3.87 0.00 1.94 1.93 0.00 3.13 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 148 Q 7.82 4.12 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 149 W 8.32 4.44 0.00 3.68 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 0.00 150 E 7.84 3.25 0.00 1.16 1.73 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 1.96 1.47 0.00 151 K 7.61 4.19 0.00 1.91 1.82 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.51 7.81 152 L 7.28 4.09 0.00 1.69 1.64 0.83 1.02 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 0.00 153 E 8.83 4.29 0.00 1.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.88 0.00 154 T 8.41 5.13 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 1.24 0.00 0.00 155 D 8.96 4.83 0.00 2.89 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 0.00 156 K 8.60 4.13 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.03 7.81 157 K 8.17 4.50 0.00 1.74 1.85 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.44 7.81 158 D 7.96 4.51 0.00 2.95 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 0.00 159 K 8.42 5.13 0.00 1.81 2.05 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 160 P 0.00 4.80 0.00 2.13 1.96 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 161 L 8.75 4.14 0.00 1.62 1.73 0.93 1.11 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 0.00 162 K 7.52 4.47 0.00 1.70 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.36 7.81 163 P 0.00 4.31 0.00 2.03 2.18 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 164 P 0.00 4.28 0.00 1.29 1.43 0.00 3.24 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.34 0.00 165 K 8.62 5.05 0.00 1.85 1.66 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.62 7.81 166 V 8.93 4.18 2.39 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 1.09 0.00 0.00 1.14 0.00 0.00 167 E 9.86 4.25 0.00 2.14 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 2.37 2.32 0.00 168 E 7.93 4.96 0.00 2.04 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 2.32 2.39 0.00 169 I 8.31 5.04 1.96 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 1.46 0.80 1.02 0.00 0.00 170 I 8.68 4.11 1.66 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 1.05 0.58 0.25 0.00 0.00 171 V 8.19 4.43 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 0.85 0.00 0.00 0.99 0.00 0.00 172 F 9.18 4.65 0.00 3.09 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 0.00 173 K 8.14 4.52 0.00 1.99 1.89 0.00 1.84 0.00 0.00 2.08 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 174 N 8.91 5.01 0.00 2.83 2.74 0.00 0.00 6.95 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 0.00 175 P 0.00 4.38 0.00 1.75 2.10 0.00 3.77 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 1.00 1.66 0.00 176 F 8.23 4.40 0.00 3.17 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 0.00 177 E 8.19 4.43 0.00 2.06 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 2.20 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.