NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7970 8.4293 120.4076 56.5320 30.9675 170.6944 0 H 4.6131 8.1251 116.2942 52.4575 31.9051 171.3310 2 L 4.8008 8.9991 120.8000 53.5673 45.5421 176.2157 3 I 4.8573 9.1568 128.2501 59.9159 39.4561 174.8604 4 I 4.7692 9.3272 129.5973 59.7043 38.5350 175.4480 5 L 5.0343 8.5236 127.4854 54.8352 43.0294 176.6048 6 T 4.9258 8.2397 114.2211 60.1813 71.2113 173.1800 7 G 4.5542 8.4401 120.1783 44.8996 0.0000 172.0062 8 L 4.3017 7.2964 120.0021 53.2294 42.4253 175.1822 9 P 4.5059 0.0000 0.0000 64.3885 31.5552 177.3700 10 G 4.0495 8.9776 110.6017 45.4902 0.0000 175.5568 11 V 3.5392 7.5077 118.4772 63.0244 31.6800 177.0459 12 G 4.3038 7.8111 110.8795 45.7802 0.0000 175.9945 13 K 4.0595 8.5957 120.5020 59.5327 32.1377 179.1025 14 S 4.3164 8.1602 114.7169 62.0543 62.9210 176.8800 15 T 3.9225 7.9523 117.8882 66.6350 68.2455 176.4425 16 F 4.3807 8.6315 122.6735 61.2483 39.3292 177.2882 17 S 4.1905 8.6483 115.1865 61.6957 62.7295 176.6913 18 K 3.8457 7.9174 120.8034 59.7319 31.8760 179.2258 19 N 3.8834 7.7386 116.2504 55.7432 38.2409 177.3206 20 L 3.6161 7.4334 121.6377 57.9512 42.1089 178.8393 21 A 3.9146 8.1103 121.0805 55.0545 18.0463 179.7624 22 K 3.7881 7.7011 115.9440 59.6270 32.5435 179.3768 23 I 3.7802 7.4182 119.8572 64.2104 36.9898 178.3615 24 L 3.7860 7.8285 119.8411 57.9472 41.3173 179.4860 25 S 4.2436 8.0750 114.4300 60.7717 61.9651 176.4295 26 K 4.0493 7.5960 119.9121 58.7535 31.7615 177.7824 27 N 4.6678 7.6183 115.4821 52.5385 39.4280 174.4025 28 N 4.1269 7.7936 116.3163 55.1963 37.9265 174.1229 29 I 4.3620 7.1405 116.6881 59.2433 40.7104 174.6607 30 D 4.7158 8.4744 124.5066 53.4841 41.9550 175.7850 31 V 5.0970 8.1333 122.6251 59.9599 34.6188 174.4636 32 I 4.5092 9.1205 123.7269 59.1658 41.3620 173.9414 33 V 4.7650 8.3446 127.7706 61.4745 32.7572 174.7928 34 L 4.9868 8.8634 127.5206 53.3224 46.1335 175.7643 35 G 4.5531 8.6020 105.8995 45.0300 0.0000 174.5395 36 S 4.8534 9.5868 119.3174 60.8904 62.7130 176.6109 37 D 4.4634 8.2901 121.9977 57.1822 40.2409 178.4426 38 L 4.0007 7.6101 118.4420 58.1227 42.0260 179.2655 39 I 4.0296 7.7088 118.7405 63.7739 36.8653 178.0796 40 R 4.2253 8.3226 120.1819 59.5371 30.0272 177.4438 41 E 4.6211 8.4032 114.3839 56.8651 29.5607 177.5296 42 S 4.3009 7.9887 116.0421 60.3155 63.2751 174.6754 43 F 4.5036 7.5944 118.2539 55.8070 39.4662 174.3783 44 P 4.5196 0.0000 0.0000 65.0013 31.5834 176.2048 45 V 4.6460 7.5934 110.4473 59.8496 35.7721 173.2908 46 W 4.7468 8.5856 130.6467 56.0817 32.2013 175.7174 47 K 3.4170 6.2006 122.6020 53.3163 35.7582 176.3188 48 E 3.4319 7.5054 124.4105 59.2603 29.0966 178.9433 49 K 4.0214 7.1247 116.1886 59.0110 33.0077 177.8279 50 Y 4.3733 7.4221 118.3867 59.9461 37.8418 177.0910 51 E 4.0381 7.8146 119.7306 59.3945 29.4183 178.8987 52 E 3.9095 8.1602 118.6931 59.3150 29.7919 178.5496 53 F 4.1672 8.2903 120.1138 61.2686 39.6099 176.7316 54 I 3.6894 8.3529 119.8841 64.4562 37.0147 178.3283 55 K 3.6652 8.5531 120.4932 59.1979 32.0149 178.7653 56 K 3.8895 8.1507 120.1483 59.6926 32.1532 179.0419 57 S 3.9730 8.0249 115.8249 61.6887 62.5784 176.8802 58 T 3.8929 7.8351 118.5178 66.8641 68.1114 176.4417 59 Y 4.5463 7.8904 118.6538 61.2064 37.7952 178.8805 60 R 3.9836 8.1937 119.1529 59.1352 30.0709 179.1162 61 L 4.0242 8.0244 118.8233 57.7635 41.6020 179.5365 62 I 3.7241 7.9841 119.7806 64.4624 36.8870 177.8791 63 D 4.4173 8.1884 117.8481 57.5848 40.8680 178.2785 64 S 4.2801 8.6354 114.8473 61.2623 63.0340 176.2423 65 A 4.1415 8.4148 124.8521 54.6041 17.9719 178.8054 66 L 4.2969 7.6962 118.4647 56.2270 42.1530 178.7319 67 K 3.6746 7.1124 117.0687 59.2687 32.0790 177.2761 68 N 4.5763 7.5805 112.9057 52.8503 40.6159 173.5450 69 Y 5.1020 7.6773 115.0421 55.4174 42.8599 175.0148 70 W 4.4568 9.2862 121.0615 56.9666 30.7531 175.6542 71 V 4.9929 8.5176 122.3558 61.2834 34.4714 173.9363 72 I 4.8829 8.8035 128.9912 59.8329 39.2849 175.1827 73 V 4.3392 9.1711 129.4621 62.1552 32.3795 174.4152 74 D 5.1628 9.4379 131.2684 53.0393 39.7829 174.4591 75 D 5.0668 8.0665 120.1955 52.1865 45.3240 175.3721 76 T 4.3879 8.9752 117.0579 65.4782 67.7139 175.0015 77 N 4.0422 8.4171 117.1995 54.1349 36.4943 175.6487 78 Y 4.0412 7.9506 116.3894 59.1660 38.7533 175.2552 79 Y 5.2686 6.0324 115.9409 55.8691 39.7086 175.5942 80 N 4.5550 9.3053 122.1297 55.9698 37.8097 177.7623 81 S 4.5830 7.8924 114.8575 57.9276 62.5143 176.1818 *83 R 4.2799 8.0896 121.5780 57.4816 32.3627 178.2241 84 R 3.0151 8.3417 117.8632 59.2914 29.7043 178.1732 85 D 4.1439 7.6156 117.2304 57.4333 41.0908 178.6839 86 L 3.8446 7.5802 118.7996 57.7060 41.6356 179.3935 87 I 3.2424 7.5649 119.8171 64.1420 36.8401 178.1940 88 N 3.9587 7.8294 117.2918 56.0132 38.0721 177.5188 89 I 3.6401 7.4432 121.3055 64.0254 37.0908 178.2413 90 A 4.0312 7.6085 121.1937 54.9862 18.2707 179.2954 91 K 2.8933 7.8643 118.3882 59.2915 31.9052 178.6175 92 K 3.6534 7.6206 118.5128 59.2192 31.9974 177.2650 93 Y 4.5372 7.4540 113.6989 56.3603 38.4829 174.8615 94 N 4.6946 8.2136 117.2758 54.8996 38.0942 173.7670 95 K 4.6049 8.2833 114.4206 54.4912 34.8714 176.8311 96 N 4.9198 8.3280 119.3601 53.5117 40.1454 173.5377 97 Y 5.6366 8.0419 116.4860 55.6794 41.4152 174.1428 98 A 4.6082 8.5127 121.1630 50.5723 23.0352 174.7843 99 I 4.8809 8.7255 122.8608 59.9991 39.7823 174.6353 100 I 4.9455 9.1919 128.3815 59.7915 39.9947 173.9816 101 Y 5.1915 8.9181 129.7067 56.3088 40.0356 174.1677 102 L 4.7184 8.9377 128.2933 53.5169 42.9716 176.3377 103 K 4.5124 8.6580 124.5586 54.7383 35.6579 174.4670 104 A 4.8793 8.1154 123.5481 50.7959 21.9696 176.5796 105 S 4.2085 8.5300 115.3183 58.0027 63.8325 175.3027 106 L 3.6470 8.0952 123.2024 58.1359 41.4277 178.9866 107 D 4.2628 7.9082 118.5607 57.4511 40.8485 178.6378 108 V 3.5487 7.4854 118.3617 65.9996 31.5111 178.0050 109 L 3.9471 7.8057 118.5691 57.9606 41.5201 179.6584 110 I 3.6733 7.9715 119.8989 64.3878 37.0082 178.3030 111 R 3.8808 8.1930 119.1407 59.7866 29.9895 179.1697 112 R 4.2105 8.5399 118.9662 58.8355 30.1015 178.7750 113 N 4.4378 8.2881 116.7801 56.5016 38.7896 177.1620 114 I 3.7382 7.7477 121.4837 64.2887 36.8150 177.9535 115 E 4.1095 8.2874 118.5807 58.1588 28.9507 178.3524 116 R 4.6607 7.3231 115.5920 55.4607 30.6733 176.5404 117 G 3.7379 7.9725 106.9309 44.6901 0.0000 173.9014 118 E 3.7897 7.9435 118.1596 56.9406 28.3214 175.8989 119 K 4.0844 7.8572 118.0663 58.3563 32.9995 177.8268 120 I 4.3015 7.4256 119.7630 58.1762 38.6310 173.5907 121 P 4.4467 0.0000 0.0000 63.0090 31.6212 177.0215 122 N 4.3063 8.7790 119.3255 56.6054 38.3307 177.5603 123 E 3.9289 8.0903 119.5683 59.4059 29.3776 179.3529 124 V 3.5706 7.5598 117.3863 65.7146 31.5872 177.9946 125 I 3.8237 7.4605 118.4481 64.2817 37.2047 177.7739 126 K 4.1180 8.1496 119.4010 59.4919 31.9039 180.5766 127 K 4.0198 8.0108 116.1041 57.1353 31.6236 178.2572 *129 Y 4.4741 7.8407 122.3193 57.7187 40.5587 176.1612 130 E 4.2533 8.0693 118.4222 59.2946 29.7012 178.4562 131 K 4.2050 8.0731 116.5078 58.2735 32.4582 177.2455 132 F 4.1419 8.2871 120.3554 59.0867 39.7383 174.4980 133 D 4.5583 7.7616 125.8620 53.0448 41.5004 176.2885 134 E 3.9535 8.6412 124.4266 55.5501 30.5178 175.1386 135 P 4.3938 0.0000 0.0000 64.3777 31.0416 177.0668 136 G 3.8687 9.5822 110.8357 45.5112 0.0000 175.2662 137 K 4.0230 7.8644 120.2920 58.0535 32.4726 177.1788 138 K 4.0599 7.1746 118.8129 56.7787 33.9387 175.7236 139 Y 4.5973 6.8912 114.5591 55.3997 41.6863 175.9834 140 K 4.6830 8.9811 124.3649 58.7611 32.4831 178.7971 141 W 4.4899 8.0297 114.2199 58.7342 28.0788 175.8490 142 D 4.7543 7.4243 117.4551 53.9687 41.0332 175.8531 143 E 4.0606 8.2059 120.0061 56.1244 29.6535 174.6022 144 P 4.8466 0.0000 0.0000 62.8602 31.7597 176.0759 145 F 4.5089 9.2876 126.7450 60.9562 40.0251 175.0728 146 L 4.7414 7.9571 116.0438 53.1024 46.5132 175.2875 147 I 4.9451 8.2635 121.3542 59.7305 40.1245 174.7905 148 I 4.2640 8.6860 128.6095 59.4426 39.8807 174.5724 149 D 5.0039 8.4912 127.2747 52.8650 41.4826 176.0112 150 T 4.2310 8.5130 114.7406 62.5776 68.5196 175.4324 151 T 4.2831 8.3876 112.6443 62.0522 69.8846 174.5478 152 K 4.5236 7.4621 121.0563 54.1524 34.4631 175.5191 153 D 4.5905 8.3298 119.5281 54.5179 41.2917 176.1525 154 I 4.3041 8.0196 121.6308 59.4444 39.8965 176.1719 155 D 4.6437 8.0937 124.3691 52.6624 40.7127 176.5448 156 F 4.2073 8.2904 125.4835 60.2393 39.0678 176.7681 157 N 4.4804 8.3845 115.8154 56.2092 38.3303 176.9201 158 E 3.9580 8.4933 120.7663 59.1864 29.7142 178.8445 159 I 3.7749 7.8611 119.6434 64.4140 37.2729 177.8291 160 A 4.0820 8.5309 121.8999 55.3895 18.1894 179.1087 161 K 3.7844 8.2871 117.6449 60.0412 32.1619 178.7634 162 K 4.1177 8.3994 118.2710 59.6606 32.0307 179.3998 163 L 4.0430 8.6794 119.5379 57.8270 41.3762 179.5304 164 I 4.0886 8.3224 119.0168 64.6060 37.3718 177.8892 165 E 4.1737 8.3977 119.2767 59.5346 29.3665 179.4424 166 K 3.9063 8.3810 119.7722 59.3322 31.9467 178.5596 167 S 4.1305 8.0234 113.1040 60.0022 63.0713 175.4025 168 K 4.3829 7.7582 120.8848 55.9405 32.4021 176.2084 169 E 4.2344 7.5536 119.8448 55.5896 30.5975 175.9394 170 I 4.0693 7.8519 120.7885 59.0333 37.2718 174.6442 171 P 4.2515 0.0000 0.0000 61.9034 30.3885 176.0485 172 K 3.6982 8.1057 124.1160 56.5045 32.3208 176.9945 173 F 4.1987 7.2569 119.1580 58.1605 38.7141 177.6491 *185 N 4.7735 7.5063 116.0614 53.2340 38.7462 178.8073 186 I 3.2088 7.5727 116.4777 63.0897 37.4248 176.0298 187 S 4.0716 7.9387 114.8989 61.9891 62.8716 176.4961 188 D 4.3311 8.1096 120.4263 56.9241 40.7863 178.3665 189 K 3.9384 7.9672 118.8040 59.4153 32.0587 178.9569 190 I 3.6498 7.7572 119.9019 64.4002 37.1719 177.9002 191 D 4.2116 8.0840 118.5401 57.2973 40.6975 178.0692 192 K 3.8626 8.2756 119.2837 59.9213 32.1522 179.1811 193 E 4.0589 8.5132 118.9883 59.5129 29.4380 179.4759 194 T 3.9445 8.1851 110.0677 64.7987 68.7018 176.8026 195 R 3.9961 7.9174 120.6110 58.8463 29.9584 179.0671 196 K 3.9956 7.7316 117.8090 59.5550 32.1167 179.2108 197 I 3.7463 7.9343 119.9925 64.6814 37.1380 178.4667 198 V 3.7230 8.0538 118.8099 66.3571 30.9113 178.0314 199 S 4.1966 8.0717 112.3034 61.1427 62.1833 176.0135 200 E 3.9988 8.4800 121.7869 59.4772 28.7789 178.6203 201 Y 4.0054 8.3728 121.2115 60.3703 38.7420 178.0882 202 I 3.7630 8.0143 120.5971 64.2113 36.8685 178.7389 203 K 4.0033 7.5293 118.4829 59.3884 32.2832 179.2909 204 S 4.2886 7.9601 113.1680 59.8981 62.6777 175.0412 205 K 4.3986 7.1733 118.1592 55.1537 34.0976 176.0080 206 K 3.7850 7.6275 118.1408 56.8432 30.0448 174.4258 207 L 4.0890 7.5550 117.4505 55.1080 42.7717 177.3615 208 D 4.7494 8.2402 118.8755 52.9524 43.5515 176.9086 209 K 3.8586 8.6087 121.7558 60.0460 31.5371 178.7686 210 D 4.2127 8.0336 117.3963 56.9688 40.8122 177.9667 211 K 4.2528 7.8949 117.8603 58.3862 32.2658 179.2523 212 I 3.8336 7.9012 120.8700 64.2006 37.0731 177.9146 213 K 3.8672 7.6560 120.1635 59.7330 31.7664 178.6225 214 E 4.0049 7.8121 119.1157 59.3610 29.4584 179.3575 215 V 3.4485 7.4778 117.4449 65.8407 31.5780 178.1438 216 V 3.6066 8.0020 117.9600 66.2976 31.3959 177.8981 217 E 4.0012 8.3513 118.2499 59.2774 29.3333 179.0612 218 L 3.7990 8.4490 121.0102 58.1387 42.0372 179.1190 219 R 4.0919 8.0997 118.6315 59.0464 29.9584 178.5232 220 K 3.8832 8.1405 118.3684 59.5302 32.1810 178.7547 221 E 3.9058 8.3565 119.5823 59.2404 29.6219 178.6421 222 F 4.2165 8.1066 120.3087 61.3195 39.5160 177.0869 223 L 3.6247 8.3498 118.8394 57.6614 41.2112 179.5026 224 K 3.8337 7.9059 117.1985 59.5928 32.0745 179.1341 225 K 4.0565 7.6292 117.2281 59.5242 32.3049 179.2044 226 I 3.7352 7.2215 119.6146 64.0111 36.7324 178.0099 227 K 4.2773 7.6509 115.3919 56.8565 32.0229 177.3333 228 K 4.3481 7.4842 118.8246 56.3731 32.4618 177.6992 *230 E 4.2315 8.1565 119.7674 56.1697 31.3137 175.2911 231 E 4.1749 7.9693 119.8797 55.7259 29.5586 176.5187 232 V 4.2735 8.1996 123.3197 60.3764 34.4066 174.6159 233 D 4.8500 8.4218 126.5984 53.1757 42.9369 176.3016 234 A 3.7646 8.5554 125.6668 55.6490 18.6028 178.3259 235 D 4.3952 8.1441 114.8816 57.6825 41.2775 179.7713 236 R 3.9941 7.9484 117.6702 59.1491 30.2376 179.1649 237 V 3.7179 7.9864 118.1484 66.0362 31.5713 178.1233 238 L 4.2020 8.1837 118.8253 57.6947 41.5185 179.4462 239 K 4.0023 8.0635 119.2801 59.4422 32.0223 178.5658 240 E 4.0259 8.2258 119.5009 59.0100 29.6309 178.6352 241 F 3.5969 8.1615 120.7505 60.7648 39.5658 177.3593 242 K 3.6208 8.0732 118.1394 59.6228 31.8378 178.9865 243 D 4.3565 7.8844 118.1424 56.6333 40.5139 178.5436 244 L 3.8699 7.0118 120.7246 57.8538 42.0443 178.5391 245 L 3.6915 6.9336 117.7131 57.1886 41.5768 178.7409 246 N 4.5830 7.6801 115.6954 54.9414 38.4382 175.8386 247 S 4.7730 7.5762 113.8572 58.0179 63.6270 173.4810 248 Y 4.0695 7.9197 127.3667 58.5785 38.7675 174.8885 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 H 8.43 4.80 0.00 3.09 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.13 4.61 0.00 3.35 3.65 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 9.00 4.80 0.00 1.67 1.54 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.16 4.86 2.16 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 1.14 0.00 0.00 4 I 9.33 4.77 2.02 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 1.28 0.72 1.01 0.00 0.00 5 L 8.52 5.03 0.00 1.81 1.71 1.23 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.24 4.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 7 G 8.44 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 0.00 0.00 0.00 0.00 8 L 7.30 4.30 0.00 1.67 1.58 0.61 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.51 0.00 2.02 1.99 0.00 3.68 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 1.99 2.10 0.00 10 G 8.98 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 0.00 0.00 0.00 11 V 7.51 3.54 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 0.79 0.00 0.00 0.89 0.00 0.00 12 G 7.81 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.60 4.06 0.00 1.87 2.28 0.00 1.85 0.00 0.00 2.05 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.61 7.81 14 S 8.16 4.32 0.00 3.92 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 15 T 7.95 3.92 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 16 F 8.63 4.38 0.00 3.40 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.65 4.19 0.00 4.19 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 18 K 7.92 3.85 0.00 1.76 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.64 7.81 19 N 7.74 3.88 0.00 1.68 1.42 0.00 0.00 6.69 6.21 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 20 L 7.43 3.62 0.00 1.39 1.67 1.02 1.21 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 21 A 8.11 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.70 3.79 0.00 1.73 1.75 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 23 I 7.42 3.78 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 1.51 1.37 0.92 0.00 0.00 24 L 7.83 3.79 0.00 1.68 1.34 0.83 0.39 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 25 S 8.08 4.24 0.00 3.80 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 26 K 7.60 4.05 0.00 1.94 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.56 7.81 27 N 7.62 4.67 0.00 2.73 2.75 0.00 0.00 6.96 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 28 N 7.79 4.13 0.00 2.74 2.83 0.00 0.00 6.84 7.85 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 29 I 7.14 4.36 1.48 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 -0.10 0.00 0.00 30 D 8.47 4.72 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.13 5.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.04 0.00 0.00 32 I 9.12 4.51 1.70 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 1.10 1.60 1.03 0.00 0.00 33 V 8.34 4.76 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 0.96 0.00 0.00 0.94 0.00 0.00 34 L 8.86 4.99 0.00 1.65 1.54 0.98 1.06 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 35 G 8.60 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 0.00 0.00 0.00 0.00 36 S 9.59 4.85 0.00 4.06 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 37 D 8.29 4.46 0.00 2.77 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 38 L 7.61 4.00 0.00 1.68 1.77 0.94 0.65 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 39 I 7.71 4.03 1.91 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 1.53 0.95 1.04 0.00 0.00 40 R 8.32 4.23 0.00 2.08 2.09 0.00 3.40 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 41 E 8.40 4.62 0.00 2.13 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 2.43 2.48 0.00 42 S 7.99 4.30 0.00 3.90 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 43 F 7.59 4.50 0.00 3.11 3.01 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 44 P 0.00 4.52 0.00 2.25 2.24 0.00 3.95 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 2.12 2.05 0.00 45 V 7.59 4.65 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 0.78 0.00 0.00 1.05 0.00 0.00 46 W 8.59 4.75 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 6.20 3.42 0.00 0.79 0.74 0.00 0.97 0.00 0.00 1.29 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 0.90 7.81 48 E 7.51 3.43 0.00 1.99 1.71 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 2.40 2.41 0.00 49 K 7.12 4.02 0.00 1.81 1.71 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.88 1.03 7.81 50 Y 7.42 4.37 0.00 2.35 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 0.00 0.00 0.00 0.00 51 E 7.81 4.04 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 52 E 8.16 3.91 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 53 F 8.29 4.17 0.00 3.26 3.35 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 54 I 8.35 3.69 2.15 0.00 0.00 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 1.74 1.29 0.99 0.00 0.00 55 K 8.55 3.67 0.00 1.65 1.74 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.02 0.85 7.81 56 K 8.15 3.89 0.00 1.83 1.69 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 57 S 8.02 3.97 0.00 3.41 3.57 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 58 T 7.84 3.89 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 1.29 0.00 0.00 59 Y 7.89 4.55 0.00 3.18 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 60 R 8.19 3.98 0.00 2.03 1.99 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 61 L 8.02 4.02 0.00 1.88 1.75 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.98 3.72 2.10 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 1.49 0.94 0.92 0.00 0.00 63 D 8.19 4.42 0.00 2.75 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 64 S 8.64 4.28 0.00 4.08 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 0.00 65 A 8.41 4.14 1.50 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 0.00 0.00 66 L 7.70 4.30 0.00 1.66 1.33 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.11 3.67 0.00 1.71 1.71 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.21 7.81 68 N 7.58 4.58 0.00 1.44 2.05 0.00 0.00 6.66 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.68 5.10 0.00 2.84 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 70 W 9.29 4.46 0.00 3.31 3.22 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 71 V 8.52 4.99 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 0.99 0.00 0.00 1.00 0.00 0.00 72 I 8.80 4.88 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 1.09 0.00 0.00 73 V 9.17 4.34 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 1.02 0.00 0.00 1.01 0.00 0.00 74 D 9.44 5.16 0.00 2.91 2.63 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 75 D 8.07 5.07 0.00 2.63 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 76 T 8.98 4.39 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 77 N 8.42 4.04 0.00 3.05 2.86 0.00 0.00 6.87 7.48 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 78 Y 7.95 4.04 0.00 3.29 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 79 Y 6.03 5.27 0.00 2.59 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 80 N 9.31 4.55 0.00 2.96 3.06 0.00 0.00 6.58 8.15 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 81 S 7.89 4.58 0.00 4.03 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 *83 R 8.09 4.28 0.00 2.27 2.20 0.00 3.20 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 1.67 1.83 0.00 84 R 8.34 3.02 0.00 1.27 1.90 0.00 2.80 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.00 85 D 7.62 4.14 0.00 2.68 2.53 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 86 L 7.58 3.84 0.00 1.71 1.62 1.03 0.91 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 87 I 7.56 3.24 1.36 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.39 -0.00 0.00 0.00 88 N 7.83 3.96 0.00 2.63 2.61 0.00 0.00 6.95 7.07 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 89 I 7.44 3.64 1.90 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 1.01 0.00 0.00 90 A 7.61 4.03 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 91 K 7.86 2.89 0.00 1.04 1.59 0.00 1.17 0.00 0.00 1.18 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.02 0.56 7.81 92 K 7.62 3.65 0.00 1.54 1.86 0.00 1.54 0.00 0.00 1.30 0.00 0.00 2.26 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.48 1.06 7.81 93 Y 7.45 4.54 0.00 2.92 2.90 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 94 N 8.21 4.69 0.00 2.94 2.94 0.00 0.00 6.98 6.52 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 95 K 8.28 4.60 0.00 1.66 1.72 0.00 1.55 0.00 0.00 1.53 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 96 N 8.33 4.92 0.00 2.41 2.52 0.00 0.00 6.34 7.48 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 97 Y 8.04 5.64 0.00 2.96 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 98 A 8.51 4.61 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.73 4.88 2.09 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 1.06 0.00 0.00 100 I 9.19 4.95 2.03 0.00 0.00 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 1.41 1.52 0.91 0.00 0.00 101 Y 8.92 5.19 0.00 3.07 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 0.00 102 L 8.94 4.72 0.00 1.49 1.45 0.82 -0.05 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 0.00 103 K 8.66 4.51 0.00 1.20 1.35 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.37 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 0.44 7.81 104 A 8.12 4.88 1.15 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 0.00 105 S 8.53 4.21 0.00 3.96 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 0.00 106 L 8.10 3.65 0.00 0.54 1.25 0.71 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.91 4.26 0.00 2.67 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 0.00 108 V 7.49 3.55 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 0.85 0.00 0.00 0.90 0.00 0.00 109 L 7.81 3.95 0.00 1.86 1.69 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.97 3.67 1.93 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 1.74 1.05 0.93 0.00 0.00 111 R 8.19 3.88 0.00 2.03 1.98 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 112 R 8.54 4.21 0.00 1.79 1.99 0.00 3.19 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 113 N 8.29 4.44 0.00 2.92 3.04 0.00 0.00 7.20 7.55 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 0.00 114 I 7.75 3.74 1.98 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 1.50 0.78 0.90 0.00 0.00 115 E 8.29 4.11 0.00 2.18 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 0.00 2.33 2.58 0.00 116 R 7.32 4.66 0.00 1.92 1.92 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 117 G 7.97 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 0.00 118 E 7.94 3.79 0.00 2.00 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 2.34 2.39 0.00 119 K 7.86 4.08 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.46 7.81 120 I 7.43 4.30 1.98 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 1.38 0.52 0.84 0.00 0.00 121 P 0.00 4.45 0.00 2.17 2.16 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 122 N 8.78 4.31 0.00 2.67 2.89 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 0.00 123 E 8.09 3.93 0.00 1.95 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 2.38 2.29 0.00 124 V 7.56 3.57 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 0.73 0.00 0.00 0.86 0.00 0.00 125 I 7.46 3.82 2.00 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 1.80 0.89 0.90 0.00 0.00 126 K 8.15 4.12 0.00 2.03 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 127 K 8.01 4.02 0.00 1.90 1.82 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.59 7.81 *129 Y 7.84 4.47 0.00 3.03 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 0.00 130 E 8.07 4.25 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 131 K 8.07 4.21 0.00 1.87 2.05 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.60 7.81 132 F 8.29 4.14 0.00 2.94 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 0.00 133 D 7.76 4.56 0.00 2.54 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 0.00 0.00 0.00 0.00 134 E 8.64 3.95 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 135 P 0.00 4.39 0.00 1.93 1.95 0.00 3.12 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.77 0.00 136 G 9.58 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 0.00 0.00 0.00 137 K 7.86 4.02 0.00 1.73 1.79 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.31 7.81 138 K 7.17 4.06 0.00 1.61 1.31 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.86 7.81 139 Y 6.89 4.60 0.00 1.43 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.98 4.68 0.00 1.82 1.90 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.64 7.81 141 W 8.03 4.49 0.00 3.56 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.42 4.75 0.00 1.58 2.43 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 0.00 143 E 8.21 4.06 0.00 2.32 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 2.34 2.23 0.00 144 P 0.00 4.85 0.00 2.49 2.24 0.00 3.82 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 2.08 2.10 0.00 145 F 9.29 4.51 0.00 3.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.96 4.74 0.00 1.68 1.46 1.09 0.60 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 0.00 147 I 8.26 4.95 1.83 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 0.72 0.00 0.00 148 I 8.69 4.26 1.57 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 0.76 0.00 0.00 149 D 8.49 5.00 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.51 4.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 151 T 8.39 4.28 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 1.19 0.00 0.00 152 K 7.46 4.52 0.00 1.74 1.75 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.35 7.81 153 D 8.33 4.59 0.00 2.65 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 0.00 154 I 8.02 4.30 1.60 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 1.24 0.73 0.26 0.00 0.00 155 D 8.09 4.64 0.00 2.66 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 0.00 156 F 8.29 4.21 0.00 3.12 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 0.00 157 N 8.38 4.48 0.00 2.94 2.90 0.00 0.00 6.80 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 0.00 158 E 8.49 3.96 0.00 2.27 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 0.00 2.31 2.40 0.00 159 I 7.86 3.77 2.16 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 1.54 0.72 1.19 0.00 0.00 160 A 8.53 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.29 3.78 0.00 1.98 2.13 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.57 7.81 162 K 8.40 4.12 0.00 2.23 2.19 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.79 7.81 163 L 8.68 4.04 0.00 2.11 2.08 1.23 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 164 I 8.32 4.09 2.12 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 1.60 0.68 1.01 0.00 0.00 165 E 8.40 4.17 0.00 2.31 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 2.39 2.40 0.00 166 K 8.38 3.91 0.00 1.65 1.70 0.00 1.44 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.96 1.20 7.81 167 S 8.02 4.13 0.00 4.08 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 7.76 4.38 0.00 1.95 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.66 7.81 169 E 7.55 4.23 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 170 I 7.85 4.07 1.80 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 1.42 0.52 0.81 0.00 0.00 171 P 0.00 4.25 0.00 1.72 2.23 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 172 K 8.11 3.70 0.00 1.66 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.33 7.81 173 F 7.26 4.20 0.00 3.26 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 *185 N 7.51 4.77 0.00 2.88 2.09 0.00 0.00 6.01 7.80 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 0.00 186 I 7.57 3.21 1.85 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 1.63 1.00 0.89 0.00 0.00 187 S 7.94 4.07 0.00 3.83 3.88 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 0.00 188 D 8.11 4.33 0.00 2.79 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 0.00 189 K 7.97 3.94 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 190 I 7.76 3.65 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.81 0.00 0.00 191 D 8.08 4.21 0.00 2.75 2.63 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 0.00 192 K 8.28 3.86 0.00 2.03 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.68 7.81 193 E 8.51 4.06 0.00 2.11 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 2.35 2.42 0.00 194 T 8.19 3.94 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 195 R 7.92 4.00 0.00 2.12 2.04 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 196 K 7.73 4.00 0.00 2.04 1.90 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.74 7.81 197 I 7.93 3.75 2.35 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 1.51 1.01 0.82 0.00 0.00 198 V 8.05 3.72 2.35 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 1.09 0.00 0.00 1.24 0.00 0.00 199 S 8.07 4.20 0.00 4.01 4.03 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 0.00 200 E 8.48 4.00 0.00 2.27 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 2.60 2.50 0.00 201 Y 8.37 4.01 0.00 3.06 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 I 8.01 3.76 1.91 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 1.61 0.81 0.92 0.00 0.00 203 K 7.53 4.00 0.00 1.91 1.84 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.71 7.81 204 S 7.96 4.29 0.00 3.97 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 0.00 205 K 7.17 4.40 0.00 1.35 1.60 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.82 0.72 7.81 206 K 7.63 3.79 0.00 1.75 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.34 7.81 207 L 7.56 4.09 0.00 1.65 1.65 1.09 1.09 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 0.00 208 D 8.24 4.75 0.00 2.78 2.53 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 0.00 209 K 8.61 3.86 0.00 1.84 1.90 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.54 7.81 210 D 8.03 4.21 0.00 2.80 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 0.00 211 K 7.89 4.25 0.00 1.88 1.90 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.55 7.81 212 I 7.90 3.83 1.91 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 1.45 0.81 0.96 0.00 0.00 213 K 7.66 3.87 0.00 1.86 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 214 E 7.81 4.00 0.00 2.47 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 0.00 2.41 2.58 0.00 215 V 7.48 3.45 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.16 0.00 0.00 216 V 8.00 3.61 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 217 E 8.35 4.00 0.00 2.24 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 2.34 2.48 0.00 218 L 8.45 3.80 0.00 1.57 1.69 0.28 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.10 4.09 0.00 2.09 2.07 0.00 2.92 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 220 K 8.14 3.88 0.00 2.18 1.84 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 221 E 8.36 3.91 0.00 2.12 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 2.34 2.34 0.00 222 F 8.11 4.22 0.00 3.31 3.22 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 0.00 223 L 8.35 3.62 0.00 1.71 1.57 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 224 K 7.91 3.83 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 225 K 7.63 4.06 0.00 1.80 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.70 7.81 226 I 7.22 3.74 1.66 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.36 0.72 0.00 0.00 227 K 7.65 4.28 0.00 1.68 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.65 7.81 228 K 7.48 4.35 0.00 1.99 1.77 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 *230 E 8.16 4.23 0.00 1.91 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 0.00 2.18 2.39 0.00 231 E 7.97 4.17 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 2.30 2.23 0.00 232 V 8.20 4.27 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 0.80 0.00 0.00 0.88 0.00 0.00 233 D 8.42 4.85 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 A 8.56 3.76 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 D 8.14 4.40 0.00 2.71 2.77 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 0.00 0.00 0.00 236 R 7.95 3.99 0.00 1.98 2.00 0.00 3.29 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 237 V 7.99 3.72 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 1.05 0.00 0.00 1.01 0.00 0.00 238 L 8.18 4.20 0.00 1.97 1.79 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 239 K 8.06 4.00 0.00 1.87 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 240 E 8.23 4.03 0.00 2.39 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 2.47 2.40 0.00 241 F 8.16 3.60 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 K 8.07 3.62 0.00 1.94 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.71 7.81 243 D 7.88 4.36 0.00 2.66 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 0.00 244 L 7.01 3.87 0.00 1.45 1.38 0.88 0.79 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 0.00 245 L 6.93 3.69 0.00 1.14 0.66 0.16 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 246 N 7.68 4.58 0.00 2.80 2.86 0.00 0.00 6.87 6.98 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 0.00 247 S 7.58 4.77 0.00 3.93 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 0.00 248 Y 7.92 4.07 0.00 3.01 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.