NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7813 8.1627 120.6264 55.3163 34.0686 173.4542 2 W 5.0408 9.4994 135.0000 55.2768 33.5575 173.0176 3 I 4.5793 8.2601 127.3508 59.3972 40.8640 173.9218 4 G 4.0963 8.5468 114.8779 44.4073 0.0000 172.2503 5 I 4.9899 9.3239 124.6431 59.2040 40.8268 174.6123 6 I 5.3430 8.6280 127.2334 59.2707 39.3197 174.5450 7 S 4.9898 8.4292 120.5730 57.0164 65.7092 174.7213 8 L 4.1356 8.5740 123.3702 56.1988 42.3500 177.5234 9 F 5.1886 8.4990 117.8351 54.9072 39.9141 173.1791 10 P 4.8757 0.0000 0.0000 66.1255 32.2020 178.9489 11 E 4.0449 8.6144 117.0955 59.9928 29.1400 179.0754 12 M 4.0008 8.3767 118.5959 58.4644 31.8851 178.4576 13 F 4.2411 8.4732 117.1708 59.5768 39.1549 177.4361 14 R 3.8173 8.3270 118.0316 58.7613 29.5707 178.3781 15 A 4.3933 8.1571 119.9103 54.0779 18.4399 178.4689 16 I 4.3931 8.3157 116.7265 62.0667 38.9261 177.4503 17 T 4.2318 7.8428 116.0476 64.8634 68.3875 175.2826 18 D 4.7471 7.7380 117.1914 53.7259 42.3141 175.2709 19 Y 4.7910 7.2466 116.6375 56.8754 42.3796 176.6427 20 G 4.0144 8.7825 110.0560 46.2050 0.0000 173.4350 21 V 3.5523 8.5478 115.6160 66.8687 31.2813 179.4848 22 T 4.0137 7.9162 114.7195 66.5230 68.4918 176.9915 23 G 3.7254 8.3255 107.8889 47.9697 0.0000 175.7924 24 R 4.0012 8.2617 121.1400 58.9861 30.0723 178.4944 25 A 4.0477 7.9262 120.7223 54.8406 18.3547 179.8490 26 V 4.0222 7.5666 118.2032 65.5646 31.4597 178.5325 27 K 4.0605 8.5225 117.2990 58.7654 31.9288 178.0410 28 N 4.7508 8.1079 114.5221 52.6751 37.6890 175.9955 29 G 3.9904 7.9810 109.6573 45.4952 0.0000 175.4819 30 L 4.1885 7.8646 119.7252 56.4434 42.0583 176.9692 31 L 5.1450 7.5723 120.8250 53.3456 45.6711 175.1743 32 S 4.9298 8.9681 119.7315 56.6531 66.8317 172.9749 33 I 5.2845 8.0482 121.0968 58.7304 40.3211 174.5745 34 Q 4.6324 8.2071 125.1403 53.8087 32.5553 174.5417 35 S 5.1638 7.9906 115.2997 56.3233 66.4273 173.0396 36 W 4.7845 10.0159 122.6061 55.0762 31.9508 174.4882 37 S 5.3523 8.7640 119.7072 55.9547 63.0315 173.2037 38 P 4.5807 0.0000 0.0000 65.5931 31.3914 178.3463 39 R 3.9699 8.0273 118.2145 59.5583 29.9419 177.3301 40 D 4.7245 8.1675 114.6177 54.9398 40.7194 176.4649 41 F 4.7584 8.4537 118.2528 57.3091 39.6265 175.1103 42 T 4.3651 7.3791 113.7878 61.6388 67.9642 174.1297 43 H 4.8958 8.6197 122.6753 55.5771 30.6101 173.9633 44 D 4.8049 7.7327 119.6446 51.5563 41.0912 177.3624 45 R 3.9307 8.3028 115.2439 59.0112 29.6558 177.0581 46 H 4.5826 8.2232 112.8971 55.0029 29.6047 174.8578 47 R 3.8486 7.5106 117.5995 57.5526 27.6919 176.8629 48 T 4.1637 8.9889 113.9123 63.8426 69.5427 175.7096 49 V 4.5897 8.3875 116.5188 60.5991 34.4708 174.7013 50 D 5.1224 7.7754 119.4480 52.1471 42.0869 174.3421 51 D 4.4716 8.3613 116.7889 53.5016 45.1512 174.3445 52 R 4.6013 8.2838 120.9056 54.6760 31.3862 174.5551 53 P 4.5178 0.0000 0.0000 61.6646 32.7934 175.5689 54 Y 4.1880 8.1269 119.1431 59.4306 38.4466 176.0956 55 G 3.8065 8.9858 111.2232 45.3236 0.0000 174.6071 56 G 3.7083 7.4978 108.4665 44.5077 0.0000 172.5921 57 G 4.3449 8.3205 104.8172 42.3027 0.0000 172.0177 58 P 4.4142 0.0000 0.0000 65.0100 32.5625 177.6877 59 G 4.1610 7.4900 110.0137 44.9578 0.0000 173.2272 60 M 4.9076 8.4380 123.9358 53.3113 36.6152 173.4532 61 L 5.2308 8.3124 118.9677 52.8172 45.9500 176.1453 62 M 4.7329 8.7305 120.7324 55.4371 32.6229 176.5907 63 M 4.0382 9.5214 124.7112 55.8844 33.2865 177.4291 64 V 3.6283 8.5597 125.1788 66.1487 31.9043 178.1565 65 Q 3.9212 7.9519 118.8085 58.8813 29.1335 176.3574 66 P 4.3061 0.0000 0.0000 64.9913 31.3864 178.4984 67 L 3.8541 7.4986 118.1046 58.2704 42.0832 179.2025 68 R 3.6873 8.1646 118.3927 59.2202 29.9361 178.8571 69 D 4.1041 8.0633 118.4838 57.0951 40.6643 178.6296 70 A 2.6970 7.0157 120.8034 54.6991 18.3384 179.7976 71 I 3.4311 7.4546 118.1844 64.6937 37.1535 178.1379 72 H 4.0756 8.1863 117.2073 59.0987 28.5600 177.6429 73 A 3.9480 7.6578 121.9301 54.9887 18.1303 179.5203 74 A 2.5800 6.7391 119.2382 54.1845 18.1930 180.0676 75 K 3.8373 7.7072 117.1473 59.3426 31.8502 179.4343 76 A 3.8843 8.0551 120.3470 55.0746 18.4254 179.1924 77 A 4.0820 7.6684 117.7833 55.3318 18.5827 179.3870 78 A 3.5314 7.9090 118.2119 54.5342 19.4596 179.1302 79 G 3.7428 8.5597 106.4323 44.7894 0.0000 172.0842 80 E 3.7639 8.6969 118.4800 58.3489 29.7511 177.2612 81 G 3.7048 8.9012 110.2965 46.0303 0.0000 173.0244 82 A 4.5819 7.3603 120.8768 50.0702 19.1897 178.0946 83 K 4.1971 8.5526 124.9222 57.2897 33.6001 175.9596 84 V 4.5567 9.6793 128.8005 62.1045 32.9062 174.4230 85 I 5.1527 9.1150 129.4394 59.7785 39.9222 173.8493 86 Y 5.1304 9.1445 128.4759 55.7238 40.7969 174.5210 87 L 4.5350 8.4356 127.7890 54.8339 42.2946 176.5963 88 S 4.4147 8.7937 118.1135 56.2730 65.7684 173.6829 89 P 4.1631 0.0000 0.0000 65.0709 31.1043 176.7174 90 Q 4.2692 8.2245 117.8803 55.9683 28.7087 175.6522 91 G 3.9303 7.6224 107.1670 44.4490 0.0000 173.5852 92 R 3.7724 7.9349 120.1273 56.3041 30.8612 176.0695 93 K 4.4409 8.4777 127.9275 56.1228 32.6981 176.1252 94 L 4.6544 8.8087 131.2108 55.7469 42.8638 175.6757 95 D 4.7508 8.6441 123.3782 50.9811 42.6501 175.6145 96 Q 3.9930 8.9157 119.1578 59.3323 28.7283 178.1320 97 A 4.0821 8.0875 121.3144 55.2791 18.5339 179.7650 98 G 3.8592 8.8958 104.5280 47.8479 0.0000 175.9526 99 V 3.2739 7.8423 120.6097 65.9384 31.2001 178.0463 100 S 3.2312 7.3628 113.7996 61.3311 63.0367 175.8972 101 E 4.0839 8.0736 120.8684 59.8222 29.3984 179.7504 102 L 3.8195 8.3173 118.6133 57.6667 41.4474 179.3526 103 A 4.0209 7.9003 119.3504 54.6494 18.2808 179.1085 104 T 4.0021 7.4387 112.6370 64.4899 68.9357 174.5014 105 N 4.8112 7.4655 118.4123 52.6278 40.0014 174.8875 106 Q 4.5161 8.5406 118.8704 56.6996 31.0048 175.5936 107 K 5.4250 8.0300 118.0281 54.6182 36.1688 175.4324 108 L 5.1715 9.3079 123.8792 52.9950 46.4639 175.4877 109 I 4.9378 8.7699 122.7776 59.6395 40.2599 174.3392 110 L 5.0698 9.3175 128.0948 53.1100 43.9981 175.6035 111 V 4.5717 9.4138 125.0325 61.6327 33.4198 174.0955 112 C 4.9447 9.0027 126.6728 58.2033 29.3355 174.1906 113 G 4.2153 8.8554 111.4809 46.0219 0.0000 171.8130 114 R 4.8305 7.8566 117.9371 54.7308 34.8235 175.5285 115 Y 3.6500 8.0055 116.1396 59.9441 35.3708 170.8070 116 E 4.5230 9.4622 128.4203 57.0239 30.4520 175.2713 117 G 4.0584 7.1488 105.6895 44.1956 0.0000 173.2820 118 I 4.7962 8.0437 114.0936 58.3046 40.8845 174.7083 119 D 4.3067 8.5637 121.1042 54.6083 41.7232 176.3888 120 E 3.8747 9.1978 127.4776 59.9636 29.4169 179.2863 121 R 4.5971 8.4554 119.1303 58.7244 29.9601 179.2600 122 V 3.5515 7.9682 118.2865 65.8825 31.4860 178.2372 123 I 3.6380 7.4348 119.2021 64.4237 37.1474 178.1657 124 Q 4.1340 8.3519 118.2849 58.1249 28.2585 177.9883 125 T 4.2785 7.4600 115.6428 64.1347 70.0489 175.0368 126 E 4.5033 8.4302 118.0471 55.9973 31.0477 175.9117 127 I 4.6054 7.3446 118.8513 59.5586 39.7487 175.0705 128 D 4.8421 9.1244 124.7921 56.3662 41.9461 176.8193 129 E 4.8082 8.0488 114.0586 55.1174 33.1752 173.9256 130 E 5.3277 8.7062 120.7954 54.7636 32.3899 174.8863 131 W 5.3530 9.2134 122.9610 54.9878 33.3792 174.1545 132 S 5.1838 9.3315 119.0024 56.4900 64.4363 174.6451 133 I 4.0900 8.6182 117.9403 60.7302 38.1894 175.8735 134 G 3.9343 6.7836 114.9428 45.2171 0.0000 173.0489 135 D 4.5541 7.8283 121.2092 52.8712 38.9092 174.7138 136 Y 4.7926 6.2662 116.1812 56.0395 41.2271 174.5751 137 V 4.3875 8.4108 119.9128 61.0534 33.5585 174.8003 138 L 4.8095 8.3743 126.2955 53.1732 44.0987 176.2976 139 S 4.5812 8.5238 113.4782 58.4712 63.4585 173.9733 140 G 4.1770 7.4947 108.2540 43.8519 0.0000 174.0967 141 G 3.8897 9.0980 106.7172 45.1090 0.0000 176.0029 142 E 3.8559 8.0031 121.2412 59.4399 29.5405 178.8328 143 L 3.9063 7.7830 118.2166 57.4283 41.6804 177.7363 144 P 4.2445 0.0000 0.0000 65.4061 31.3191 178.3646 145 A 4.0171 8.4661 119.8733 55.6883 18.3659 179.6010 146 M 4.1512 8.8069 117.6201 58.8923 31.9819 179.1815 147 T 3.9117 8.3067 116.3003 66.4707 68.6064 176.4980 148 L 3.8703 8.1284 122.5269 58.2492 42.1412 179.1313 149 I 3.7234 8.2435 120.2442 64.1641 36.8846 178.0565 150 D 4.3106 8.5976 119.7356 57.4150 40.9416 178.5197 151 S 4.3068 7.8418 113.5119 61.3674 63.2891 176.2523 152 V 3.7823 7.8653 122.2173 65.6015 31.2467 178.1405 153 S 4.3549 8.2159 114.1699 61.4393 62.5098 176.5195 154 R 3.9749 7.6076 119.1861 58.4725 29.8496 177.8936 155 F 4.3695 8.5571 116.2821 57.1281 39.9349 176.0185 156 I 4.0649 7.5658 121.4594 60.2021 37.7410 174.7749 157 P 4.2166 0.0000 0.0000 65.9088 31.1401 177.7621 158 G 3.8208 7.9592 102.7504 46.3769 0.0000 174.7805 159 V 3.6630 7.9370 120.2635 65.5068 31.7088 175.8769 160 L 4.5694 7.6682 118.2600 53.3754 42.7079 176.4310 161 G 3.8102 8.4300 112.3055 46.2161 0.0000 173.8246 *173 E 4.0224 8.0491 117.1478 55.4152 30.2862 173.6871 174 G 4.2856 8.3665 110.0460 45.1751 0.0000 172.4288 175 L 4.6380 7.2397 116.9475 52.4880 43.7580 176.1498 176 L 4.1851 8.1983 121.0621 54.2966 42.1619 177.0810 177 D 4.4905 8.3743 121.4277 54.2172 41.8539 175.3939 178 C 4.3632 8.1103 117.6988 56.2212 31.0114 171.4191 179 P 4.4070 0.0000 0.0000 62.8207 31.5569 175.5612 180 H 5.2813 8.0693 115.6300 54.4971 32.2680 172.9445 181 Y 4.7524 8.3721 117.6812 56.9941 41.6697 175.7837 182 T 4.2110 8.5980 117.6042 61.4678 68.2828 173.6347 183 R 3.3119 8.5925 122.6619 56.6160 28.2195 175.0258 184 P 4.6728 0.0000 0.0000 61.6891 32.9416 176.0879 185 E 4.0604 8.6048 117.3084 58.2719 29.6282 177.2924 186 V 4.7047 7.6552 117.5246 60.6830 34.0187 174.0639 187 L 4.5385 8.6812 129.0902 53.8942 43.6106 175.9823 188 E 3.9424 9.7100 127.8147 57.6295 26.7416 176.0412 189 G 3.9063 8.3477 104.2458 45.9266 0.0000 173.3757 190 M 4.5325 7.8929 120.5963 53.6128 33.4010 174.9865 191 E 5.5789 8.3924 123.0432 54.0596 31.6447 176.2705 192 V 3.1355 8.1541 122.7137 62.1317 32.4289 173.8660 193 P 3.8807 0.0000 0.0000 62.8102 31.6043 175.2640 194 P 4.0636 0.0000 0.0000 65.8264 31.3632 178.6027 195 V 3.4329 7.5717 116.3113 66.1608 30.9888 177.9410 196 L 3.9280 7.2846 117.5735 57.2231 41.4102 178.8599 197 L 4.1780 7.6319 118.5706 58.2415 42.1727 178.3620 198 S 4.4158 7.5593 111.3043 58.1363 62.8761 174.1082 199 G 3.9579 8.3681 107.5839 44.5780 0.0000 172.3834 200 N 4.3166 8.1610 118.8964 53.9283 39.2075 174.2239 201 H 4.0663 8.8798 128.1679 59.2934 30.0103 176.3733 202 A 4.1173 7.9903 121.5353 54.4755 18.7963 178.8811 203 E 3.9541 9.5350 119.0767 59.3900 29.5481 179.2803 204 I 3.7498 7.8803 119.9192 64.4377 37.1846 178.2889 205 R 3.9044 7.8472 119.2889 59.3914 29.7612 178.5911 206 R 3.8874 8.1849 118.5250 59.0943 30.1177 178.2770 207 W 4.0811 8.3265 128.2263 60.4673 30.6340 178.0341 208 R 3.8145 8.5819 118.2363 59.2546 29.6182 178.8006 209 L 3.8447 8.0901 120.0829 57.8950 42.0048 178.7500 210 K 3.7743 8.0938 119.6086 59.7133 32.0594 178.7325 211 Q 3.7380 7.9175 118.4964 58.9470 28.6467 178.8713 212 S 4.0699 8.5423 116.7828 61.5565 62.8617 176.9041 213 L 3.9572 8.1960 121.9866 57.6724 41.3694 179.7516 214 G 2.0000 7.4425 105.8382 47.0636 0.0000 175.9863 215 R 3.8501 7.7257 120.6510 59.3464 30.0734 179.1696 216 T 3.9339 7.6216 115.1152 66.3027 68.1359 176.4805 217 W 4.2082 7.7688 129.2620 60.5797 30.9697 177.7552 218 L 3.5212 8.1126 117.8483 57.3016 41.1238 178.9328 219 R 4.3711 8.2072 116.1289 56.6743 32.6109 177.2437 220 R 4.8580 8.2107 116.2459 51.9671 31.0735 174.0794 221 P 4.3609 0.0000 0.0000 66.1098 31.4672 178.2440 222 E 4.0474 8.1676 116.7040 59.1240 29.5271 178.9547 223 L 4.1149 8.1032 120.2246 57.6845 41.5285 179.3288 224 L 4.1290 7.8612 118.4734 57.3765 41.2969 179.0508 225 E 4.1043 7.7920 117.6299 58.3495 29.6309 177.2439 226 N 4.9189 7.9302 115.0927 52.5968 38.8429 174.1968 227 L 4.5859 7.4467 118.0543 52.7901 44.0412 176.3271 228 A 4.4567 8.3557 126.0583 50.4620 18.7135 176.8702 229 L 4.3959 8.1570 122.2591 55.4200 42.6263 178.3290 230 T 4.2964 8.5404 113.3683 61.0574 71.0966 175.8894 231 E 3.9386 8.5513 120.2858 59.4337 29.4315 179.3748 232 E 3.9492 8.1286 118.1301 59.6289 29.5418 179.2925 233 Q 3.9521 8.1462 117.6712 58.8003 28.6781 178.5999 234 A 3.9208 8.1167 121.8303 55.2536 18.3503 179.9011 235 R 3.8172 8.2509 116.6874 59.5010 30.1165 179.2187 236 L 4.0019 7.9256 118.6760 57.9406 41.4797 179.1765 237 L 3.8154 8.2499 120.2346 57.7462 42.0793 178.4937 238 A 3.6272 8.3085 120.8838 55.6032 18.4372 179.3125 239 E 3.9024 8.5306 117.8521 59.0665 29.4551 178.8835 240 F 4.0686 8.1599 120.4595 61.2185 39.9700 176.8537 241 K 3.8433 8.8348 119.2758 59.7781 31.2540 179.4751 242 T 3.9102 7.7812 115.7282 66.6152 68.1987 176.0050 243 E 4.3279 7.6284 116.2183 57.1830 29.3632 177.2923 244 H 4.4915 7.6490 119.4133 57.6250 30.8114 175.9673 245 A 4.1413 7.6253 122.2394 54.8226 18.5745 177.2339 246 Q 4.1547 7.9319 118.5590 56.3154 28.8762 175.8217 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 1 M 8.16 4.78 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 2 W 9.50 5.04 0.00 3.44 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.26 4.58 1.59 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 1.05 0.58 0.71 0.00 0.00 4 G 8.55 4.10 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 0.00 0.00 0.00 5 I 9.32 4.99 1.51 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.27 0.00 0.00 6 I 8.63 5.34 1.92 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 1.03 1.15 0.94 0.00 0.00 7 S 8.43 4.99 0.00 4.19 4.04 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 8 L 8.57 4.14 0.00 0.96 0.82 0.78 0.69 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 9 F 8.50 5.19 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.88 0.00 2.27 2.17 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 11 E 8.61 4.04 0.00 2.14 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 0.00 2.48 2.56 0.00 12 M 8.38 4.00 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 13 F 8.47 4.24 0.00 3.27 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.33 3.82 0.00 2.05 2.08 0.00 3.26 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 15 A 8.16 4.39 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 16 I 8.32 4.39 1.95 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 1.57 0.61 1.05 0.00 0.00 17 T 7.84 4.23 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 1.19 0.00 0.00 18 D 7.74 4.75 0.00 1.74 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 0.00 0.00 0.00 19 Y 7.25 4.79 0.00 3.11 2.81 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 20 G 8.78 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 0.00 0.00 0.00 21 V 8.55 3.55 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 1.07 0.00 0.00 0.94 0.00 0.00 22 T 7.92 4.01 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 1.25 0.00 0.00 23 G 8.33 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 0.00 0.00 0.00 24 R 8.26 4.00 0.00 1.89 2.13 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 25 A 7.93 4.05 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 26 V 7.57 4.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.03 0.00 0.00 27 K 8.52 4.06 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.63 7.81 28 N 8.11 4.75 0.00 2.79 2.85 0.00 0.00 7.11 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 29 G 7.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.86 4.19 0.00 1.68 1.77 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.57 5.15 0.00 1.77 1.44 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.97 4.93 0.00 3.99 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 33 I 8.05 5.28 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.98 0.65 0.00 0.00 34 Q 8.21 4.63 0.00 1.67 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 35 S 7.99 5.16 0.00 3.65 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 36 W 10.02 4.78 0.00 3.32 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 37 S 8.76 5.35 0.00 3.97 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 38 P 0.00 4.58 0.00 2.26 2.13 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 39 R 8.03 3.97 0.00 1.84 1.96 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 40 D 8.17 4.72 0.00 2.51 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 41 F 8.45 4.76 0.00 3.11 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 42 T 7.38 4.37 4.48 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 1.23 0.00 0.00 43 H 8.62 4.90 0.00 3.17 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.73 4.80 0.00 2.83 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 45 R 8.30 3.93 0.00 1.86 2.03 0.00 2.91 0.00 0.00 2.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.12 0.00 46 H 8.22 4.58 0.00 3.34 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.51 3.85 0.00 1.96 1.97 0.00 3.17 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 48 T 8.99 4.16 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 1.26 0.00 0.00 49 V 8.39 4.59 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 0.98 0.00 0.00 1.08 0.00 0.00 50 D 7.78 5.12 0.00 1.77 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.36 4.47 0.00 2.61 2.38 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 52 R 8.28 4.60 0.00 1.53 1.70 0.00 3.34 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 53 P 0.00 4.52 0.00 2.16 2.00 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 54 Y 8.13 4.19 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.99 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 56 G 7.50 3.71 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 0.00 0.00 0.00 57 G 8.32 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.41 0.00 2.21 2.19 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 59 G 7.49 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.44 4.91 0.00 1.43 1.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 61 L 8.31 5.23 0.00 1.51 1.54 0.91 0.93 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 62 M 8.73 4.73 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.14 2.80 0.00 63 M 9.52 4.04 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 64 V 8.56 3.63 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 1.02 0.00 0.00 0.92 0.00 0.00 65 Q 7.95 3.92 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 66 P 0.00 4.31 0.00 2.23 2.22 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 67 L 7.50 3.85 0.00 1.87 1.78 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.16 3.69 0.00 1.73 1.69 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 69 D 8.06 4.10 0.00 2.52 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 70 A 7.02 2.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.45 3.43 1.77 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 1.42 0.88 0.80 0.00 0.00 72 H 8.19 4.08 0.00 3.12 3.23 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.66 3.95 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 74 A 6.74 2.58 0.53 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 0.00 0.00 0.00 0.00 0.00 75 K 7.71 3.84 0.00 1.91 1.79 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.57 7.81 76 A 8.06 3.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.67 4.08 1.61 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 0.00 0.00 78 A 7.91 3.53 1.18 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 79 G 8.56 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 80 E 8.70 3.76 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 81 G 8.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.36 4.58 1.37 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 0.00 0.00 0.00 83 K 8.55 4.20 0.00 1.85 1.76 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.46 7.81 84 V 9.68 4.56 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 1.01 0.00 0.00 1.00 0.00 0.00 85 I 9.11 5.15 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 1.08 0.00 0.00 86 Y 9.14 5.13 0.00 2.99 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 87 L 8.44 4.54 0.00 1.53 1.54 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.79 4.41 0.00 3.31 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 89 P 0.00 4.16 0.00 2.14 2.07 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 90 Q 8.22 4.27 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 91 G 7.62 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 92 R 7.93 3.77 0.00 1.27 0.66 0.00 2.55 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.21 0.00 93 K 8.48 4.44 0.00 1.76 1.70 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 94 L 8.81 4.65 0.00 2.09 1.66 0.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.64 4.75 0.00 2.94 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 96 Q 8.92 3.99 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 97 A 8.09 4.08 1.37 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 0.00 0.00 0.00 98 G 8.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.84 3.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 100 S 7.36 3.23 0.00 4.11 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 0.00 101 E 8.07 4.08 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 102 L 8.32 3.82 0.00 1.38 1.39 -0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.90 4.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.44 4.00 4.51 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 1.21 0.00 0.00 105 N 7.47 4.81 0.00 2.72 2.76 0.00 0.00 6.91 7.04 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 0.00 106 Q 8.54 4.52 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 107 K 8.03 5.43 0.00 1.76 1.92 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.46 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.54 1.54 7.81 108 L 9.31 5.17 0.00 1.53 1.49 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.77 4.94 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 1.39 0.98 0.90 0.00 0.00 110 L 9.32 5.07 0.00 1.58 1.63 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 111 V 9.41 4.57 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 112 C 9.00 4.94 0.00 3.18 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 0.00 113 G 8.86 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 0.00 114 R 7.86 4.83 0.00 1.44 0.68 0.00 3.33 0.00 0.00 3.68 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 115 Y 8.01 3.65 0.00 3.28 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 0.00 116 E 9.46 4.52 0.00 2.15 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 2.38 2.44 0.00 117 G 7.15 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 0.00 118 I 8.04 4.80 1.68 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.49 0.78 0.00 0.00 119 D 8.56 4.31 0.00 2.68 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 0.00 120 E 9.20 3.87 0.00 2.12 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 2.40 2.76 0.00 121 R 8.46 4.60 0.00 2.03 1.96 0.00 3.25 0.00 0.00 3.58 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 122 V 7.97 3.55 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 0.98 0.00 0.00 0.87 0.00 0.00 123 I 7.43 3.64 2.01 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 1.47 0.55 0.95 0.00 0.00 124 Q 8.35 4.13 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 125 T 7.46 4.28 4.59 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 1.19 0.00 0.00 126 E 8.43 4.50 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 127 I 7.34 4.61 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 1.17 0.00 0.00 128 D 9.12 4.84 0.00 2.68 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 0.00 129 E 8.05 4.81 0.00 2.03 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 2.41 2.67 0.00 130 E 8.71 5.33 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 131 W 9.21 5.35 0.00 3.11 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 0.00 132 S 9.33 5.18 0.00 3.97 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.62 4.09 1.95 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 1.37 0.74 0.94 0.00 0.00 134 G 6.78 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 D 7.83 4.55 0.00 2.67 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 0.00 136 Y 6.27 4.79 0.00 3.02 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 0.00 137 V 8.41 4.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 138 L 8.37 4.81 0.00 1.68 1.58 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.52 4.58 0.00 3.97 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 0.00 140 G 7.49 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 0.00 141 G 9.10 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 0.00 142 E 8.00 3.86 0.00 1.95 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 2.31 2.25 0.00 143 L 7.78 3.91 0.00 1.67 1.71 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.24 0.00 2.28 2.10 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 145 A 8.47 4.02 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 M 8.81 4.15 0.00 2.05 2.11 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 2.68 2.68 0.00 147 T 8.31 3.91 4.48 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 1.24 0.00 0.00 148 L 8.13 3.87 0.00 1.82 1.76 0.65 1.12 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 0.00 149 I 8.24 3.72 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 150 D 8.60 4.31 0.00 2.76 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 0.00 151 S 7.84 4.31 0.00 4.15 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 0.00 152 V 7.87 3.78 2.12 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 0.96 0.00 0.00 0.79 0.00 0.00 153 S 8.22 4.35 0.00 4.13 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 0.00 154 R 7.61 3.97 0.00 2.12 1.97 0.00 3.17 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 155 F 8.56 4.37 0.00 3.03 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 0.00 156 I 7.57 4.06 1.99 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 1.37 1.11 0.95 0.00 0.00 157 P 0.00 4.22 0.00 2.05 2.15 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 158 G 7.96 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 0.00 159 V 7.94 3.66 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.04 0.00 0.00 160 L 7.67 4.57 0.00 1.62 1.54 0.83 0.85 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 0.00 161 G 8.43 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 *173 E 8.05 4.02 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 174 G 8.37 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 0.00 0.00 0.00 0.00 175 L 7.24 4.64 0.00 1.61 1.55 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.20 4.19 0.00 1.58 1.56 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.37 4.49 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 C 8.11 4.36 0.00 2.91 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 0.00 179 P 0.00 4.41 0.00 2.35 2.02 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 180 H 8.07 5.28 0.00 3.06 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 8.37 4.75 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 0.00 182 T 8.60 4.21 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 0.00 183 R 8.59 3.31 0.00 1.92 1.93 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 184 P 0.00 4.67 0.00 2.18 2.07 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 185 E 8.60 4.06 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 2.35 2.27 0.00 186 V 7.66 4.70 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 0.92 0.00 0.00 187 L 8.68 4.54 0.00 1.73 1.53 0.94 1.17 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 0.00 188 E 9.71 3.94 0.00 2.16 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 2.23 2.30 0.00 189 G 8.35 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 0.00 0.00 0.00 190 M 7.89 4.53 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 191 E 8.39 5.58 0.00 1.79 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 2.24 2.12 0.00 192 V 8.15 3.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.99 0.00 0.00 193 P 0.00 3.88 0.00 1.12 1.58 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 194 P 0.00 4.06 0.00 2.05 2.03 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 195 V 7.57 3.43 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.48 0.00 0.00 196 L 7.28 3.93 0.00 1.43 1.53 0.47 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.63 4.18 0.00 1.49 1.65 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 198 S 7.56 4.42 0.00 4.04 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 0.00 199 G 8.37 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 0.00 200 N 8.16 4.32 0.00 2.78 2.76 0.00 0.00 6.77 7.42 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 0.00 201 H 8.88 4.07 0.00 3.31 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 A 7.99 4.12 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 0.00 203 E 9.54 3.95 0.00 2.16 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 2.33 2.38 0.00 204 I 7.88 3.75 2.07 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 1.40 0.59 0.96 0.00 0.00 205 R 7.85 3.90 0.00 1.92 2.11 0.00 3.01 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 206 R 8.18 3.89 0.00 2.19 2.19 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 207 W 8.33 4.08 0.00 3.58 3.44 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 0.00 208 R 8.58 3.81 0.00 2.13 2.06 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 209 L 8.09 3.84 0.00 1.78 1.74 0.89 0.62 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 0.00 210 K 8.09 3.77 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.62 7.81 211 Q 7.92 3.74 0.00 1.62 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 212 S 8.54 4.07 0.00 3.91 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 0.00 213 L 8.20 3.96 0.00 1.67 1.53 0.92 0.82 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 0.00 214 G 7.44 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 0.00 0.00 0.00 0.00 0.00 0.00 215 R 7.73 3.85 0.00 1.75 1.92 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 216 T 7.62 3.93 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 217 W 7.77 4.21 0.00 3.28 3.50 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 0.00 218 L 8.11 3.52 0.00 1.61 1.58 1.15 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.21 4.37 0.00 1.72 1.92 0.00 3.07 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 220 R 8.21 4.86 0.00 1.75 1.79 0.00 3.30 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 221 P 0.00 4.36 0.00 2.28 2.42 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 222 E 8.17 4.05 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 223 L 8.10 4.11 0.00 1.81 1.91 0.98 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 224 L 7.86 4.13 0.00 1.87 1.74 1.02 1.35 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 0.00 225 E 7.79 4.10 0.00 2.06 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 2.56 2.45 0.00 226 N 7.93 4.92 0.00 2.72 2.81 0.00 0.00 6.79 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 L 7.45 4.59 0.00 1.67 1.54 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 228 A 8.36 4.46 1.25 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 0.00 229 L 8.16 4.40 0.00 1.63 1.58 0.87 0.98 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 0.00 230 T 8.54 4.30 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 1.21 0.00 0.00 231 E 8.55 3.94 0.00 2.02 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 2.39 2.39 0.00 232 E 8.13 3.95 0.00 2.00 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 2.40 2.40 0.00 233 Q 8.15 3.95 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 234 A 8.12 3.92 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 0.00 235 R 8.25 3.82 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 236 L 7.93 4.00 0.00 1.80 1.70 0.91 0.31 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 0.00 237 L 8.25 3.82 0.00 1.78 1.56 0.65 0.95 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 0.00 238 A 8.31 3.63 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 E 8.53 3.90 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 240 F 8.16 4.07 0.00 3.08 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 0.00 241 K 8.83 3.84 0.00 1.59 1.49 0.00 1.21 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.54 7.81 242 T 7.78 3.91 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 243 E 7.63 4.33 0.00 1.83 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 2.31 2.50 0.00 244 H 7.65 4.49 0.00 3.13 3.69 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 A 7.63 4.14 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 0.00 246 Q 7.93 4.15 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.