NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0309 8.0549 120.3880 62.4778 33.8200 177.0333 8 K 4.0058 7.8328 119.2668 58.7820 32.2834 175.3761 9 E 4.7393 8.8099 120.8015 59.0112 29.5509 179.2383 10 L 3.9807 7.7222 117.6532 58.1200 41.9651 178.7317 11 L 4.0772 7.9502 119.1641 57.3209 41.4829 178.9139 12 E 3.9434 8.1087 117.2899 59.9448 29.5578 179.2332 13 A 3.6050 7.5209 119.1668 53.6170 18.4460 179.3584 14 G 3.6742 8.1211 104.8371 46.4376 0.0000 174.6065 15 V 4.6552 7.3279 109.6373 60.6527 34.9710 172.7036 16 H 4.8748 8.0781 111.0338 56.4460 31.5466 173.4846 17 F 4.8838 8.2425 114.8249 55.8358 40.7808 171.7414 18 G 3.5151 8.7173 110.7778 46.4248 0.0000 171.1043 19 H 5.0853 8.0896 126.0483 55.1609 32.2765 176.5068 20 E 3.9645 9.3225 114.8043 56.8229 30.1482 174.7667 21 R 4.4413 8.2068 119.0237 54.9120 32.0741 175.7654 22 K 3.7579 9.0847 121.4716 56.8934 29.7498 175.7382 23 R 4.8104 7.5476 117.3349 55.6369 31.2115 178.1689 24 W 4.7931 8.2836 115.0351 54.0215 27.5001 177.7495 25 N 3.9193 8.0226 113.4557 51.8149 39.5764 172.6927 26 P 2.9871 0.0000 0.0000 64.8101 31.6071 178.0910 27 K 3.8932 8.1556 118.9681 59.4185 31.9602 178.0135 28 F 4.2514 8.3984 118.8158 58.3984 38.7964 175.8420 29 A 4.4435 7.6645 123.0566 52.7991 18.8540 180.0182 30 R 4.1717 7.3283 110.7686 57.4400 30.0069 176.3461 31 Y 5.0106 7.0334 116.4641 57.9797 38.7481 174.8319 32 I 4.9034 7.7519 117.6756 59.6041 41.4011 173.3492 33 Y 4.5231 8.6510 126.3263 58.2636 40.0760 175.3610 34 A 4.2447 7.1506 119.6332 51.8960 21.9112 174.1868 35 E 5.3847 8.1378 115.2291 53.5445 30.2595 174.8095 36 R 4.2108 8.1836 124.4759 55.7653 31.1008 176.7800 37 N 4.2082 9.8788 119.5563 54.1820 37.5816 174.2952 38 G 4.0995 8.2450 104.3840 46.3547 0.0000 174.3442 39 I 4.1067 7.7562 121.4194 60.4279 38.2505 174.6487 40 H 4.6829 8.3601 121.1699 55.9140 29.7975 174.5674 41 I 4.3016 8.9128 126.2292 59.4814 38.4929 175.0185 42 I 4.5224 8.2489 128.4645 60.3519 38.8246 174.8735 43 D 4.4710 8.5859 129.0354 54.7615 41.5868 176.9139 44 L 4.4008 8.7619 127.6485 56.6964 41.7876 178.5481 45 Q 3.9638 8.1378 119.1942 59.2804 28.7994 178.4761 46 K 4.2737 7.9911 119.2409 59.1887 32.2673 178.6444 47 T 3.8168 7.4699 114.8482 66.7643 68.2771 176.0393 48 M 4.0758 8.4806 120.4327 58.8171 32.0466 178.1256 49 E 4.3908 7.7299 118.3968 58.9644 29.4909 178.9625 50 E 3.9977 7.9189 117.9411 58.3284 30.0106 178.2085 51 L 3.9363 8.0930 119.4341 58.3948 41.7701 178.4341 52 E 3.9496 8.8944 118.4778 60.2993 28.9049 178.8003 53 R 4.0399 8.0087 117.7032 59.8583 30.2713 179.1066 54 T 3.7067 8.1405 115.8913 66.4964 68.3048 176.7128 55 F 4.1137 8.3183 119.8854 60.5969 38.8257 177.9409 56 R 3.7730 8.2621 116.9641 58.9026 29.5383 178.0323 57 F 4.3796 7.5119 119.2355 60.4394 39.7877 177.4384 58 I 3.3887 7.3735 119.3688 64.5512 36.9922 178.0336 59 E 4.0304 8.8446 120.2668 59.0632 29.1779 177.3690 60 D 4.5149 7.3188 114.2743 54.3538 41.4958 175.9184 61 L 4.3252 7.2389 119.8414 56.1342 44.0768 178.3224 62 A 4.0157 8.5069 122.0722 54.7989 18.4630 178.2790 63 M 4.5184 7.8316 111.7330 55.2435 31.2931 176.6273 64 R 4.4595 7.4623 112.6959 55.1179 30.5309 175.6517 65 G 3.9599 7.7255 106.4716 46.5001 0.0000 173.1083 66 G 4.1826 7.5784 108.2769 44.0557 0.0000 169.8762 67 T 4.5042 8.2714 112.7027 60.7030 70.7604 173.6718 68 I 4.6491 8.3751 123.8111 59.4100 40.7908 174.6773 69 L 4.9218 8.0621 126.6931 53.5275 44.0002 175.1211 70 F 5.0991 9.0695 126.3720 56.9595 40.7960 175.3735 71 V 4.8269 8.5264 122.1134 61.4757 35.3328 174.3546 72 G 4.2320 8.3366 110.3384 45.9633 0.0000 173.1348 73 T 4.8686 9.2355 115.5123 60.9403 69.6393 173.8079 74 K 4.4407 7.6499 122.3948 55.2679 34.3890 177.0276 75 K 3.7959 8.9066 124.2323 59.9566 32.0523 178.1296 76 Q 4.2981 8.0455 112.3076 56.9643 28.2390 176.8608 77 A 4.4304 7.8903 120.2957 51.7302 19.6400 178.4184 78 Q 4.1935 7.4335 120.5471 59.0755 29.6964 178.2529 79 D 4.3474 8.2645 117.5806 56.7942 39.6722 178.9717 80 I 3.7756 7.7161 109.8281 61.8029 37.7418 176.5701 81 V 4.1163 7.7416 119.9195 63.1527 33.1171 177.1563 82 R 3.2131 8.0074 119.0881 59.8730 29.8638 177.2293 83 M 4.2662 8.2094 120.0491 55.6168 31.7251 178.4011 84 E 3.6466 7.8378 120.9009 59.3007 30.3273 179.5410 85 A 3.5719 7.1780 119.7929 55.0878 18.7342 179.5127 86 E 3.8660 7.4065 115.7619 59.6039 29.6530 179.0711 87 R 4.1848 7.9811 115.7662 57.2396 30.0029 176.1339 88 A 4.5173 7.7374 117.5732 51.1901 20.8419 175.8083 89 G 3.9952 8.0213 103.6160 46.6992 0.0000 173.9442 90 M 4.9679 7.5648 115.0538 52.5416 36.5400 174.2818 91 P 4.9540 0.0000 0.0000 63.6115 32.9587 174.3576 92 Y 5.7349 8.0153 117.7901 57.6773 41.2984 173.9989 93 V 4.2729 8.4076 118.8366 61.6667 33.8273 174.9723 94 N 4.8244 9.1469 126.9457 55.2982 40.5536 175.6465 95 Q 4.5743 7.7965 123.8245 55.9681 28.3631 176.5792 96 R 4.1673 8.7222 125.9838 56.4186 30.1394 177.1918 97 W 4.2650 8.6553 134.2223 56.3778 28.4206 174.9060 98 L 3.7193 7.5990 122.3845 54.2369 41.9695 177.5010 99 G 3.5561 8.1243 110.0427 46.2299 0.0000 174.2194 100 G 3.8425 10.3562 111.1236 45.7813 0.0000 175.2333 101 M 3.8838 7.2752 119.5700 58.5595 32.1744 178.8584 102 L 4.0119 7.9996 116.9444 58.2334 42.6285 178.8652 103 T 4.0174 9.1452 115.7693 66.0852 69.3655 174.5888 104 N 5.1095 8.5605 120.4711 52.4517 37.8331 175.2513 105 F 5.4409 7.8941 123.8360 60.5306 39.9282 175.1388 106 K 3.9789 8.0558 116.9607 57.9002 32.1811 177.3475 107 T 5.2122 7.4955 115.7632 64.8352 70.1496 176.2763 108 I 3.8085 7.7224 121.2252 64.1899 37.0760 178.5521 109 S 4.2718 7.8377 115.5949 61.1550 62.6574 176.0070 110 Q 4.1423 7.7236 119.5481 57.5162 28.1591 177.5645 111 R 4.4946 7.4550 117.6567 56.5229 31.5998 177.8341 112 V 3.9120 7.6845 118.6982 65.7115 31.4481 176.9275 113 H 4.4376 8.1631 111.9853 56.7843 28.4103 175.9693 114 R 4.4876 7.5744 120.8613 56.6175 31.6425 177.3036 115 L 4.0126 7.6136 120.2272 58.1885 42.0893 178.7575 116 E 4.0940 8.1067 116.7129 59.0228 29.5911 178.4067 117 E 3.9690 8.1880 118.2922 58.4469 29.8402 177.8617 118 L 4.5784 7.4156 116.4471 55.2920 42.6452 178.1375 119 E 4.0185 8.0939 118.7586 58.0537 29.6641 177.3688 120 A 4.6974 8.1443 118.2675 51.6085 19.8385 176.5041 121 L 4.5099 7.4984 117.7312 54.6703 42.2607 176.9326 122 F 4.3393 7.5997 118.8849 60.5120 39.6206 176.5289 123 A 3.9802 7.6658 131.4021 50.8898 17.3035 176.0160 124 S 4.5462 7.5703 113.5803 57.2374 65.2737 172.6962 125 P 4.5639 0.0000 0.0000 63.3413 31.7576 176.6156 126 E 4.3002 7.9000 119.2409 57.7985 29.9349 178.4454 127 I 3.9012 7.6039 118.9068 63.5889 37.6588 176.5961 128 E 4.0903 8.4216 120.7240 59.1911 29.9659 176.5621 129 E 4.2792 7.3910 121.7848 55.7169 29.4074 175.0762 130 R 3.6995 8.7375 130.3622 55.8941 27.7971 174.0368 131 P 4.3456 0.0000 0.0000 62.5893 31.8683 177.4197 132 K 3.8992 8.7144 119.7862 59.4668 31.6480 178.6968 133 K 3.8625 8.1385 118.4265 60.0257 31.9886 178.4549 134 E 4.1874 8.1938 117.0240 58.2724 29.4135 179.4206 135 Q 3.9681 7.7955 118.7473 59.0217 29.1431 178.1328 136 V 3.6274 7.6454 118.6261 66.1310 31.4519 178.3295 137 R 3.9273 7.8087 117.7174 59.4068 30.0860 179.0704 138 L 4.3670 8.2073 118.7237 57.1364 41.4852 179.5323 139 K 3.9228 8.2284 120.2598 59.5935 32.1737 177.9424 140 H 4.1244 8.3018 118.3874 59.4588 29.6964 176.3232 141 E 3.9086 8.6670 121.1752 59.4284 29.3648 178.5740 142 L 3.8931 7.8924 119.7889 58.5073 42.1979 178.2191 143 E 3.8128 8.7315 119.1367 59.9090 29.4362 179.8964 144 R 3.6059 8.3871 115.5864 59.2440 29.6727 178.1927 145 L 3.9337 8.0047 122.1706 57.8526 42.1026 178.7284 146 Q 3.8744 8.5557 119.2331 59.2813 28.8184 177.9556 147 K 3.7336 7.8597 119.3399 59.4791 32.0517 177.1779 148 Y 4.7423 7.7660 114.5995 58.2562 38.9408 176.9383 149 L 4.8133 7.4889 118.7081 54.3498 42.3383 178.3767 150 S 4.0574 7.5176 116.4387 61.5627 62.9589 176.0388 151 G 2.9354 7.5488 105.7438 44.9028 0.0000 173.2395 152 F 5.0494 7.4628 122.2833 57.7981 38.1865 174.0583 153 R 4.1947 6.6141 117.5616 55.1987 35.5364 181.8771 154 L 2.9446 7.6017 114.7740 54.7308 43.1162 177.6595 155 L 4.3565 8.8906 127.5076 54.6032 43.0837 178.0719 156 K 4.5103 8.3817 126.5854 53.3697 30.5860 176.1241 157 R 4.6384 7.6394 115.7499 55.1952 33.0896 173.6975 158 L 3.6394 8.9297 124.6610 54.4226 41.6186 175.3987 159 P 4.2743 0.0000 0.0000 63.5374 31.7189 176.5329 160 D 4.6408 8.3928 119.8927 55.4662 41.5993 175.3777 161 A 4.8764 7.6142 119.9656 51.6319 23.8312 175.1995 162 I 4.5493 8.3431 111.4565 59.8590 41.1020 174.0095 163 F 6.0252 8.5248 128.6525 56.2771 41.6343 174.5005 164 V 4.5068 7.9761 123.0121 62.9381 34.9734 173.5728 165 V 3.6283 8.5082 121.7121 62.6166 31.9259 177.9316 166 D 4.5318 9.2268 135.0000 52.7541 41.2273 173.7982 167 P 4.1898 0.0000 0.0000 65.8022 31.5235 178.6949 168 T 3.9842 7.6331 107.0866 62.9570 69.2682 175.4223 169 K 4.1085 7.8128 123.0621 58.5183 32.7580 176.4237 170 E 4.6679 7.7757 117.4466 55.0885 30.3429 177.4621 171 A 3.9698 7.7995 123.0845 53.9944 18.7393 179.0420 172 I 3.6088 7.8223 118.4231 64.7629 37.0858 177.6487 173 A 2.5800 6.9224 120.7141 54.8995 18.0120 179.7430 174 V 3.3292 7.4757 115.8209 65.9768 31.2941 178.1962 175 R 3.8140 7.9134 118.4857 59.4572 30.1410 177.7012 176 E 4.0202 8.3546 119.2981 58.8395 29.5381 179.0335 177 A 4.0279 8.3337 120.4116 55.6288 17.9841 179.7178 178 R 3.6958 7.9577 116.8313 59.3447 29.8828 178.4904 179 K 3.9930 8.3263 118.6789 58.5067 32.2785 177.9913 180 L 4.4895 7.5836 117.2421 55.0628 42.0340 177.3517 181 F 3.7867 7.4640 115.4257 56.9363 37.2069 174.3255 182 I 4.0635 7.7604 122.2053 60.3960 37.3627 174.2369 183 P 4.3797 0.0000 0.0000 62.4752 32.4403 175.3088 184 V 4.9076 8.3652 123.8469 60.9795 34.0334 174.0951 185 I 5.1767 9.0960 120.9970 59.5197 40.5782 174.2329 186 A 5.0995 9.1947 125.2205 51.5453 23.2769 175.2277 187 L 5.5121 9.5078 123.4460 53.0922 41.0819 175.1407 188 A 4.6492 8.2135 125.6197 49.9344 21.3763 175.9875 189 D 5.1007 8.0894 120.7375 53.2022 40.0904 177.1522 190 T 3.6903 8.1813 105.4865 62.8857 69.5621 175.5954 191 D 4.5009 7.5196 119.6545 55.2267 41.4161 175.3755 192 S 4.6890 7.2553 113.0212 57.1690 66.2365 172.5964 193 D 4.9638 8.2501 121.5083 50.6189 42.2256 173.7298 194 P 4.2376 0.0000 0.0000 64.7910 29.2131 180.7609 195 D 3.8525 9.0290 113.7914 55.7491 42.7396 174.8600 196 L 4.3275 8.3410 121.0567 55.7327 40.8841 176.5538 197 V 4.2872 7.1239 117.6288 61.6591 33.5242 174.9377 198 D 4.1260 8.6730 127.1686 56.8715 41.9205 175.7179 199 Y 4.9008 8.4998 117.6847 56.1645 40.9207 174.7122 200 I 4.7186 8.5175 125.2282 59.7864 39.5347 176.1435 201 I 4.4650 9.2228 129.4238 58.4542 37.7218 171.2299 202 P 5.0484 0.0000 0.0000 63.5265 31.8977 175.9846 203 G 4.1208 8.6849 111.2537 45.6202 0.0000 171.8317 204 N 4.5354 9.1075 118.4234 54.3442 39.1930 174.3479 205 D 4.7885 8.0243 119.1639 53.5204 40.9935 175.1292 206 D 4.5154 7.9312 117.8545 56.1121 43.3550 176.2970 207 A 4.0555 7.8008 122.5695 52.1749 18.4156 178.1955 208 I 3.8854 8.4092 124.1753 64.1447 37.0642 177.5557 209 R 3.9230 7.8430 118.6682 59.1619 29.5485 178.0865 210 S 4.1698 8.2050 114.4833 61.8629 62.7503 176.9145 211 I 3.7340 7.2355 119.6125 64.1115 36.7006 178.0862 212 Q 3.8374 8.3336 120.6860 59.2535 28.7966 177.9885 213 L 3.8955 7.9787 119.2168 57.6216 42.0944 177.8512 214 I 4.3896 7.4971 119.0222 62.8424 38.2657 177.6800 215 L 4.2602 8.5627 121.5962 57.9333 41.8123 178.9925 216 S 5.0092 8.3408 114.9173 61.2381 62.4523 176.4599 217 R 3.9078 8.0832 119.8153 58.7115 29.8568 179.0042 218 A 4.4808 8.0796 121.0240 55.4989 18.0698 179.9250 219 V 3.7094 8.1737 116.7778 65.9364 31.4135 178.0692 220 D 4.3267 8.8549 119.3300 57.3282 40.6083 178.4065 221 L 3.9655 7.8950 118.9297 57.4318 42.0963 178.8725 222 I 3.8913 7.6017 119.8192 64.8792 37.2066 178.1771 223 I 3.9126 7.4919 119.0825 63.5064 36.8678 177.8354 224 Q 4.0677 8.2314 119.5845 57.4656 30.0251 176.7618 225 A 4.6870 6.9999 122.2158 49.7607 16.5472 175.0302 226 R 4.3293 7.7842 128.8192 54.8814 33.6063 175.1700 227 G 4.0153 7.7018 103.6272 46.8792 0.0000 172.4465 228 G 3.9693 8.7923 109.8303 45.1804 0.0000 174.4865 229 V 3.5469 8.0855 120.0774 63.2111 31.7610 174.9978 230 V 4.5920 7.9248 121.0004 59.5975 35.1201 174.5748 231 E 4.2717 8.5130 117.7069 55.3330 30.4633 174.3823 232 P 4.2777 0.0000 0.0000 62.9849 31.7132 175.3753 233 S 4.5687 8.1083 113.8588 55.7447 64.6819 171.5792 234 P 4.2515 0.0000 0.0000 63.6755 30.6561 174.8285 235 S 4.3758 8.6774 115.1634 59.7462 64.6635 174.0189 236 Y 4.2822 8.0563 118.7051 56.7983 38.3256 173.9606 237 A 4.8108 8.7476 126.0148 53.2161 24.7842 176.7058 238 L 4.7596 7.7193 111.1619 55.1676 41.2820 176.7164 239 V 3.5858 7.7754 120.5146 64.0759 29.6998 174.7589 240 Q 3.4229 8.1823 129.5229 57.0098 28.5792 173.7627 *241 E 4.1630 8.4431 116.8527 56.1671 30.4602 177.9873 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 V 8.05 4.03 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 0.97 0.00 0.00 0.91 0.00 0.00 8 K 7.83 4.01 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.50 7.81 9 E 8.81 4.74 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 10 L 7.72 3.98 0.00 1.59 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.95 4.08 0.00 1.85 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.11 3.94 0.00 1.96 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 2.42 2.46 0.00 13 A 7.52 3.61 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.12 3.67 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 0.00 0.00 0.00 15 V 7.33 4.66 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 0.64 0.00 0.00 0.86 0.00 0.00 16 H 8.08 4.87 0.00 3.20 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.24 4.88 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.72 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.09 5.09 0.00 3.04 2.25 0.00 5.99 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.32 3.96 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 21 R 8.21 4.44 0.00 2.08 1.98 0.00 3.21 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 22 K 9.08 3.76 0.00 1.89 1.90 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.55 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.27 7.81 23 R 7.55 4.81 0.00 1.76 1.88 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 24 W 8.28 4.79 0.00 3.48 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.02 3.92 0.00 2.56 2.70 0.00 0.00 6.62 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 2.99 0.00 1.86 1.68 0.00 3.25 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 27 K 8.16 3.89 0.00 1.86 1.81 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.34 7.81 28 F 8.40 4.25 0.00 3.00 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 29 A 7.66 4.44 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.33 4.17 0.00 1.68 1.80 0.00 2.67 0.00 0.00 2.94 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 31 Y 7.03 5.01 0.00 2.13 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 32 I 7.75 4.90 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.08 0.00 0.00 33 Y 8.65 4.52 0.00 2.97 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 A 7.15 4.24 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 0.00 0.00 0.00 0.00 0.00 35 E 8.14 5.38 0.00 1.67 1.64 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 2.13 2.08 0.00 36 R 8.18 4.21 0.00 1.94 1.82 0.00 3.43 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 37 N 9.88 4.21 0.00 2.83 2.86 0.00 0.00 7.44 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.25 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 39 I 7.76 4.11 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.90 0.00 0.00 40 H 8.36 4.68 0.00 3.62 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.91 4.30 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.25 0.91 0.00 0.00 42 I 8.25 4.52 2.15 0.00 0.00 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 1.41 1.13 1.05 0.00 0.00 43 D 8.59 4.47 0.00 3.19 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 44 L 8.76 4.40 0.00 1.75 1.70 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.14 3.96 0.00 2.07 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 46 K 7.99 4.27 0.00 2.07 1.79 0.00 1.80 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.49 7.81 47 T 7.47 3.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 48 M 8.48 4.08 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 E 7.73 4.39 0.00 2.08 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 2.34 2.57 0.00 50 E 7.92 4.00 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 51 L 8.09 3.94 0.00 1.98 2.04 1.03 1.09 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 52 E 8.89 3.95 0.00 2.02 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 0.00 2.36 2.39 0.00 53 R 8.01 4.04 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 54 T 8.14 3.71 3.92 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 0.84 0.00 0.00 55 F 8.32 4.11 0.00 3.19 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.26 3.77 0.00 1.87 2.06 0.00 3.33 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 57 F 7.51 4.38 0.00 2.31 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 58 I 7.37 3.39 1.85 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 1.30 0.34 0.91 0.00 0.00 59 E 8.84 4.03 0.00 2.01 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 2.28 2.30 0.00 60 D 7.32 4.51 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.24 4.33 0.00 1.18 1.45 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.51 4.02 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 63 M 7.83 4.52 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 64 R 7.46 4.46 0.00 1.89 1.95 0.00 3.14 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 65 G 7.73 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.58 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.27 4.50 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 68 I 8.38 4.65 1.86 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 1.09 0.47 0.23 0.00 0.00 69 L 8.06 4.92 0.00 1.90 1.60 1.25 1.24 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 70 F 9.07 5.10 0.00 3.16 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 71 V 8.53 4.83 1.94 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 1.05 0.00 0.00 0.92 0.00 0.00 72 G 8.34 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 0.00 0.00 0.00 0.00 73 T 9.24 4.87 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 1.39 0.00 0.00 74 K 7.65 4.44 0.00 1.95 1.97 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.39 7.81 75 K 8.91 3.80 0.00 1.78 1.87 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.44 7.81 76 Q 8.05 4.30 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.24 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 77 A 7.89 4.43 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 78 Q 7.43 4.19 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 79 D 8.26 4.35 0.00 2.78 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.72 3.78 1.80 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 1.25 0.54 0.85 0.00 0.00 81 V 7.74 4.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 82 R 8.01 3.21 0.00 2.01 1.90 0.00 3.21 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 83 M 8.21 4.27 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 84 E 7.84 3.65 0.00 1.72 1.76 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 2.35 2.34 0.00 85 A 7.18 3.57 1.06 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 86 E 7.41 3.87 0.00 2.07 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 2.40 2.21 0.00 87 R 7.98 4.18 0.00 1.80 1.86 0.00 3.33 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 88 A 7.74 4.52 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 89 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.56 4.97 0.00 2.54 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 91 P 0.00 4.95 0.00 2.23 2.14 0.00 3.97 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 92 Y 8.02 5.73 0.00 3.15 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 93 V 8.41 4.27 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 1.09 0.00 0.00 1.11 0.00 0.00 94 N 9.15 4.82 0.00 3.08 3.00 0.00 0.00 7.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.80 4.57 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 96 R 8.72 4.17 0.00 1.68 1.82 0.00 3.35 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 97 W 8.66 4.27 0.00 3.19 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 98 L 7.60 3.72 0.00 1.17 1.29 0.63 0.64 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 99 G 8.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 10.36 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 0.00 101 M 7.28 3.88 0.00 1.55 1.14 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 102 L 8.00 4.01 0.00 1.78 1.79 1.29 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.15 4.02 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 104 N 8.56 5.11 0.00 2.74 2.83 0.00 0.00 6.87 7.82 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 0.00 105 F 7.89 5.44 0.00 3.36 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 0.00 106 K 8.06 3.98 0.00 1.76 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.42 7.81 107 T 7.50 5.21 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 1.19 0.00 0.00 108 I 7.72 3.81 2.08 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.86 0.00 0.00 109 S 7.84 4.27 0.00 3.60 3.64 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 0.00 110 Q 7.72 4.14 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 111 R 7.46 4.49 0.00 1.90 1.99 0.00 3.34 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 112 V 7.68 3.91 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 1.01 0.00 0.00 1.11 0.00 0.00 113 H 8.16 4.44 0.00 3.09 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.57 4.49 0.00 1.90 2.03 0.00 3.57 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 115 L 7.61 4.01 0.00 1.83 1.86 0.89 0.85 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 0.00 116 E 8.11 4.09 0.00 2.22 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 0.00 2.46 2.36 0.00 117 E 8.19 3.97 0.00 2.02 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 0.00 2.41 2.38 0.00 118 L 7.42 4.58 0.00 1.86 1.72 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.09 4.02 0.00 2.12 2.11 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 2.30 2.38 0.00 120 A 8.14 4.70 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.50 4.51 0.00 1.77 1.69 0.99 0.73 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 0.00 122 F 7.60 4.34 0.00 3.27 3.24 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 0.00 123 A 7.67 3.98 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 0.00 124 S 7.57 4.55 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.56 0.00 2.20 2.11 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 126 E 7.90 4.30 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 127 I 7.60 3.90 1.82 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 1.26 0.65 0.89 0.00 0.00 128 E 8.42 4.09 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 129 E 7.39 4.28 0.00 2.07 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 0.00 2.31 2.27 0.00 130 R 8.74 3.70 0.00 1.96 2.00 0.00 3.40 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 131 P 0.00 4.35 0.00 2.21 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 132 K 8.71 3.90 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.55 7.81 133 K 8.14 3.86 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.50 7.81 134 E 8.19 4.19 0.00 2.02 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 2.33 2.50 0.00 135 Q 7.80 3.97 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 136 V 7.65 3.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 137 R 7.81 3.93 0.00 2.03 1.97 0.00 3.36 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 138 L 8.21 4.37 0.00 1.75 1.75 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.23 3.92 0.00 2.16 1.84 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.65 7.81 140 H 8.30 4.12 0.00 3.57 3.33 0.00 5.86 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 0.00 141 E 8.67 3.91 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 142 L 7.89 3.89 0.00 1.92 1.96 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.73 3.81 0.00 1.99 1.89 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 2.50 2.49 0.00 144 R 8.39 3.61 0.00 1.97 2.08 0.00 2.88 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 1.72 1.77 0.00 145 L 8.00 3.93 0.00 2.02 1.85 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.56 3.87 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 7.86 3.73 0.00 1.59 1.43 0.00 1.57 0.00 0.00 1.13 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.83 1.25 7.81 148 Y 7.77 4.74 0.00 2.99 2.84 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 0.00 149 L 7.49 4.81 0.00 1.85 1.74 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.52 4.06 0.00 3.92 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 0.00 151 G 7.55 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 0.00 0.00 0.00 152 F 7.46 5.05 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 6.61 4.19 0.00 1.75 1.73 0.00 3.25 0.00 0.00 3.21 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 154 L 7.60 2.94 0.00 1.71 1.70 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.89 4.36 0.00 1.64 1.65 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.38 4.51 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.41 7.81 157 R 7.64 4.64 0.00 1.81 1.81 0.00 3.30 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 158 L 8.93 3.64 0.00 1.65 1.58 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.27 0.00 2.26 2.03 0.00 3.46 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 160 D 8.39 4.64 0.00 2.54 2.73 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 0.00 161 A 7.61 4.88 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 0.00 162 I 8.34 4.55 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.94 0.00 0.00 163 F 8.52 6.03 0.00 2.66 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.98 4.51 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 0.76 0.00 0.00 0.79 0.00 0.00 165 V 8.51 3.63 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 0.54 0.00 0.00 0.95 0.00 0.00 166 D 9.23 4.53 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.19 0.00 2.18 2.23 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 168 T 7.63 3.98 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 1.17 0.00 0.00 169 K 7.81 4.11 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 170 E 7.78 4.67 0.00 1.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 171 A 7.80 3.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.82 3.61 1.96 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 1.65 0.80 1.22 0.00 0.00 173 A 6.92 2.58 -0.27 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 0.00 174 V 7.48 3.33 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 0.93 0.00 0.00 0.83 0.00 0.00 175 R 7.91 3.81 0.00 1.89 2.13 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 176 E 8.35 4.02 0.00 2.50 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 2.55 2.88 0.00 177 A 8.33 4.03 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 0.00 178 R 7.96 3.70 0.00 2.10 1.95 0.00 2.91 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 179 K 8.33 3.99 0.00 1.82 1.97 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 180 L 7.58 4.49 0.00 1.89 1.81 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.46 3.79 0.00 3.14 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.76 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 1.29 0.54 1.03 0.00 0.00 183 P 0.00 4.38 0.00 2.40 2.13 0.00 4.11 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.11 0.00 184 V 8.37 4.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 185 I 9.10 5.18 1.80 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 1.47 0.49 1.13 0.00 0.00 186 A 9.19 5.10 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 0.00 187 L 9.51 5.51 0.00 1.67 1.77 0.99 0.58 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 0.00 188 A 8.21 4.65 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 0.00 189 D 8.09 5.10 0.00 2.75 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 0.00 190 T 8.18 3.69 4.43 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 1.68 0.00 0.00 191 D 7.52 4.50 0.00 2.85 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 0.00 192 S 7.26 4.69 0.00 3.61 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 0.00 193 D 8.25 4.96 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.24 0.00 2.31 2.23 0.00 3.85 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 195 D 9.03 3.85 0.00 2.84 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 0.00 196 L 8.34 4.33 0.00 1.61 1.68 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.12 4.29 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 0.86 0.00 0.00 0.90 0.00 0.00 198 D 8.67 4.13 0.00 2.35 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 8.50 4.90 0.00 2.76 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 0.00 200 I 8.52 4.72 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 1.02 0.00 0.00 201 I 9.22 4.46 2.15 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 1.02 0.00 0.00 202 P 0.00 5.05 0.00 2.18 2.14 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 203 G 8.68 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 0.00 0.00 0.00 0.00 204 N 9.11 4.54 0.00 2.82 2.77 0.00 0.00 6.65 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 D 8.02 4.79 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 7.93 4.52 0.00 2.65 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 0.00 207 A 7.80 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.41 3.89 1.83 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 1.89 0.80 0.85 0.00 0.00 209 R 7.84 3.92 0.00 1.87 1.89 0.00 3.30 0.00 0.00 3.10 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 210 S 8.20 4.17 0.00 3.98 3.92 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 0.00 211 I 7.24 3.73 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 0.86 0.00 0.00 212 Q 8.33 3.84 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 213 L 7.98 3.90 0.00 1.58 1.66 0.50 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.50 4.39 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 1.15 0.00 0.00 215 L 8.56 4.26 0.00 2.03 1.67 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.34 5.01 0.00 4.01 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 0.00 217 R 8.08 3.91 0.00 1.92 1.85 0.00 3.27 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 218 A 8.08 4.48 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 V 8.17 3.71 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 1.03 0.00 0.00 0.89 0.00 0.00 220 D 8.85 4.33 0.00 2.93 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 0.00 221 L 7.90 3.97 0.00 1.77 1.79 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.60 3.89 2.14 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.01 0.98 0.00 0.00 223 I 7.49 3.91 1.87 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 1.42 1.14 0.94 0.00 0.00 224 Q 8.23 4.07 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.33 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 225 A 7.00 4.69 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 R 7.78 4.33 0.00 1.74 2.06 0.00 3.25 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 227 G 7.70 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 0.00 0.00 0.00 228 G 8.79 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 0.00 229 V 8.09 3.55 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 0.81 0.00 0.00 0.92 0.00 0.00 230 V 7.92 4.59 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 0.86 0.00 0.00 0.92 0.00 0.00 231 E 8.51 4.27 0.00 2.07 1.94 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 2.25 2.33 0.00 232 P 0.00 4.28 0.00 2.09 2.11 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 233 S 8.11 4.57 0.00 3.94 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 0.00 234 P 0.00 4.25 0.00 2.19 2.17 0.00 3.68 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 1.97 1.96 0.00 235 S 8.68 4.38 0.00 3.63 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 0.00 236 Y 8.06 4.28 0.00 2.94 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 0.00 237 A 8.75 4.81 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 0.00 238 L 7.72 4.76 0.00 1.72 1.71 0.92 0.57 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 0.00 239 V 7.78 3.59 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 0.57 0.00 0.00 0.79 0.00 0.00 240 Q 8.18 3.42 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 *241 E 8.44 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.