NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0360 8.3544 109.7531 45.2019 0.0000 173.5440 3 K 4.0687 9.0452 126.7794 58.9950 33.0347 175.6579 4 I 4.5064 8.4266 122.6769 60.5822 38.9566 174.8515 5 G 3.4373 8.5932 115.2999 44.7769 0.0000 172.5233 6 I 5.8431 8.2865 125.4345 58.8858 39.6352 174.1715 7 F 5.0268 9.2458 126.5383 55.8960 41.0163 175.2327 8 F 6.3000 7.8292 117.2713 54.5248 41.6176 173.6284 9 G 4.6659 9.1271 106.2312 44.1553 0.0000 171.9409 10 T 4.9150 8.4994 114.9012 60.8501 70.3568 173.0014 11 D 4.9710 8.7062 124.3283 54.5528 43.0677 177.0940 12 S 4.5127 7.8645 110.7754 57.4499 65.4746 174.6477 13 G 3.9084 9.3062 110.3237 45.9910 0.0000 175.4219 14 N 4.2244 8.1323 117.6314 56.1448 38.5895 176.8194 15 A 3.9231 7.9259 121.4460 55.2176 18.5416 178.9716 16 E 2.5400 7.8343 116.8804 58.8425 29.5065 178.7066 17 A 3.8556 7.8248 120.5862 55.1683 18.4217 179.5360 18 I 3.5500 7.8904 118.3626 64.6174 37.2018 178.5826 19 A 4.0291 8.3966 121.7667 54.8506 18.1544 179.2264 20 E 3.7763 8.0956 117.8327 59.3764 29.6913 178.9483 21 K 3.8413 8.1561 118.6401 59.9142 32.2856 179.4696 22 I 3.7694 8.1890 119.8401 64.0608 36.9041 178.4554 23 S 4.1710 8.0367 114.4102 60.8396 62.0471 175.9666 24 K 3.8559 8.2495 120.6129 59.5358 31.9139 178.8225 25 A 4.1440 7.9510 119.3778 55.2709 18.6818 179.2761 26 I 3.7537 7.6051 115.7970 61.3358 38.2664 176.6791 27 G 3.9008 7.9170 108.5941 45.1270 0.0000 171.7935 28 N 4.1395 8.5672 113.1319 54.6720 37.0401 172.8099 29 A 5.3828 7.8385 115.9518 50.0259 23.4231 176.0525 30 E 4.5602 8.9227 119.6124 54.3798 32.6774 174.7478 31 V 4.5475 8.4560 127.3104 61.9595 32.8489 175.0433 32 V 4.1136 8.2196 127.7963 60.5216 34.8229 173.9405 33 D 3.3700 8.0469 127.5452 53.7801 41.4686 177.1898 34 V 2.7827 7.7439 119.9632 63.4329 31.2584 177.5484 35 A 4.0311 8.5150 123.0726 53.4662 18.4097 177.8783 36 K 4.4838 7.5287 114.3231 56.2847 32.9488 175.3362 37 A 4.8550 7.7294 121.3340 50.9171 22.4943 176.0992 38 S 4.9312 8.4170 112.2290 55.8434 67.3265 174.8273 39 K 3.7090 8.6562 122.1901 60.3613 31.6212 178.6429 40 E 3.9123 8.1424 119.2541 59.2404 29.7790 178.0235 41 Q 4.2623 7.8674 119.2534 58.7217 28.9653 177.6070 42 F 4.1968 8.7439 122.2231 61.2663 39.2459 176.0654 43 N 4.7588 8.4318 115.2453 54.4363 38.6314 177.2195 *44 S 4.4184 7.5994 119.9453 60.4916 62.7971 178.7595 45 F 5.2163 7.0841 117.5997 56.9068 42.6337 174.5579 46 T 4.3519 8.6569 112.6604 63.0061 71.2139 174.2779 47 K 4.9127 8.0484 122.9806 54.7902 33.7945 176.2047 48 V 5.1536 9.8492 119.0399 59.6102 36.3491 174.9096 49 I 5.1414 9.2908 123.9659 59.7515 40.6482 174.4446 50 L 5.5844 10.1035 129.3330 53.3450 43.5515 175.8026 51 V 4.8755 9.1618 124.8875 60.1045 34.0202 175.1703 52 A 5.0823 8.4713 125.2938 50.2597 22.7311 174.1338 53 P 4.6960 0.0000 0.0000 62.8360 33.8238 175.0320 54 T 4.6204 7.7800 115.8882 62.3027 70.4335 174.5669 55 A 5.0874 9.0502 130.2641 49.9132 22.0109 175.1632 56 G 3.8018 8.4800 103.1905 47.2391 0.0000 173.6253 57 A 3.7925 9.4556 125.3498 53.1046 16.1612 177.7545 58 G 4.4105 7.6789 103.7150 47.4585 0.0000 174.5995 59 D 4.7838 7.8997 120.9289 53.3119 42.9532 174.8990 60 L 4.5204 7.9640 121.5155 54.1384 43.5281 176.4728 61 Q 3.9918 8.6127 126.2171 57.9368 29.6931 177.7846 62 T 3.8200 8.6997 117.4065 65.0675 69.2536 175.3514 63 D 4.3681 8.2368 122.3504 56.6022 40.9308 179.0470 64 W 4.1384 8.3966 118.6513 59.5535 28.8266 178.0972 65 E 4.0665 8.1577 118.9497 59.3189 29.2369 178.3247 66 D 4.5147 8.3829 119.0689 57.5491 40.8457 177.9500 67 F 4.2109 8.3954 121.1350 61.3572 39.3380 176.6395 68 L 3.8804 8.8437 120.1678 58.3077 41.6343 179.5906 69 G 3.6789 7.6042 105.1930 47.5043 0.0000 174.3573 70 T 4.1539 8.1689 109.0952 61.8895 69.4567 174.3795 71 L 4.7416 7.2728 121.8698 53.0832 44.4483 174.8599 72 E 4.7837 9.3222 119.2306 53.5418 33.7904 176.7126 73 A 4.1353 8.8103 120.7451 55.8087 18.1590 179.6893 74 S 4.0897 8.2217 113.0406 62.3505 62.7448 176.9650 75 D 4.4248 7.9504 119.2368 56.6264 40.7029 177.8572 76 F 4.6931 8.4022 116.6732 57.6135 39.0745 177.6139 77 A 4.7755 8.0278 122.6131 54.7127 18.3361 178.4381 78 N 4.7423 7.8440 111.2683 53.0161 37.7031 174.5338 79 K 4.8559 7.7409 117.1887 55.3962 36.5436 175.2405 80 T 4.5911 8.6284 120.4207 62.8914 69.6998 173.8722 81 I 5.1785 9.2429 128.2595 59.5311 40.1298 175.0616 82 G 4.8733 9.4081 112.4644 44.6108 0.0000 171.3636 83 L 5.0805 8.8833 124.4671 53.1090 44.7133 175.8615 84 V 4.4030 8.6607 123.3561 60.9987 33.2798 172.6020 85 G 4.5992 8.2099 113.4759 43.7813 0.0000 171.0956 86 L 4.6598 8.4371 124.8701 54.4085 43.6862 175.9094 87 G 4.0344 7.7171 107.5903 46.6860 0.0000 171.9563 88 D 5.1579 8.2778 119.1228 52.1266 41.9012 176.1726 89 Q 3.4430 9.1427 126.2651 58.1530 28.9319 177.6123 90 D 4.4853 8.2075 117.8871 56.7946 41.3383 177.4675 91 T 4.0624 8.2544 113.5336 64.6388 68.7936 175.0349 92 Y 4.8468 7.4481 118.2401 55.9686 39.0813 175.5409 93 S 4.2780 8.3493 120.3682 61.7845 63.5533 177.1604 94 E 4.1324 8.2618 117.5908 58.7293 29.3414 177.4285 95 T 4.4676 7.7103 107.1352 59.7772 69.4248 171.9736 96 F 4.8211 8.3241 128.1290 57.3834 41.2527 174.6979 97 A 3.9714 8.2403 130.6058 51.7585 16.1923 177.9072 98 E 3.9478 8.1410 120.8954 60.6918 30.2529 180.1075 99 G 3.9625 8.0294 105.4725 48.0340 0.0000 175.3421 100 I 3.4629 7.5318 120.5204 63.5947 37.6932 177.4434 101 F 4.2142 8.9366 121.7735 61.4890 39.3516 176.5752 102 H 4.0577 7.7338 115.6371 58.8606 28.5872 177.4731 103 I 3.4721 7.6301 120.8897 64.7879 36.7998 177.6119 104 Y 3.7284 8.0375 120.4344 60.6236 38.3764 177.7249 105 E 3.5340 7.3542 118.3323 59.0475 29.7910 178.9456 106 K 4.0211 7.2703 116.7324 58.3007 32.9753 178.6859 107 A 3.4296 7.0169 120.7870 53.9185 17.9699 179.2308 108 K 3.7033 7.0762 116.5116 59.1566 32.7136 178.0659 109 A 4.3064 7.7683 121.2303 55.0608 18.7820 176.3071 110 G 4.8578 8.4312 105.4096 43.8573 0.0000 172.5865 111 K 4.4566 8.3819 124.3848 55.3130 33.2970 176.9977 112 V 4.9147 8.3769 128.2610 61.4925 32.7313 175.1308 113 V 4.4997 8.8316 120.7406 59.7276 35.3457 175.9398 114 G 4.5665 9.1687 109.1114 45.3646 0.0000 173.3235 115 Q 4.7180 8.2301 118.3761 56.7100 29.2751 176.1601 116 T 4.9228 8.6601 112.3198 59.6719 72.7672 173.3535 117 S 4.6076 8.8262 117.1271 58.8869 63.3637 173.9313 118 T 4.0181 8.3167 117.9101 63.3663 69.0963 174.9391 119 D 4.5562 8.0645 122.5033 56.1223 41.1598 177.2957 120 G 3.8655 8.9968 110.6451 45.7044 0.0000 172.5873 121 Y 4.7253 7.8091 116.7395 56.3542 40.2437 175.4781 122 H 4.8661 10.4005 121.0284 54.2822 30.7160 172.9111 123 F 4.9521 7.9864 120.2465 55.9315 40.7017 175.3011 124 E 4.0630 9.0408 118.2334 58.5492 29.9348 177.7393 125 A 4.8561 7.9928 120.6026 51.0486 22.6915 174.9948 126 S 4.5087 8.2415 108.6040 57.5943 64.9507 177.4313 127 K 3.6659 8.8981 129.5897 58.1063 32.3895 177.5251 128 A 4.0543 7.7369 121.4672 54.8385 18.6607 177.9103 129 V 4.1860 7.4771 116.2207 62.8659 32.3106 175.0833 130 E 4.4714 9.4469 127.2090 56.1134 32.6684 174.9454 131 G 4.1292 10.0493 113.7231 46.4215 0.0000 174.2271 132 G 3.9512 9.8264 107.9016 44.5938 0.0000 173.7065 133 K 4.4456 7.8807 117.6489 54.8485 36.0200 175.4358 134 F 4.8828 8.2927 118.1701 57.8395 39.1511 177.2872 135 V 3.7356 8.1913 123.4568 65.4388 31.9277 175.9423 136 G 4.5157 7.1748 104.3962 45.6402 0.0000 172.6425 137 L 4.0651 7.6921 122.8526 54.8677 43.4254 177.5686 138 V 4.3175 7.9363 123.7562 61.0597 33.9103 174.3925 139 I 4.4419 8.4335 129.1521 59.8985 39.7540 174.5115 140 D 5.7530 8.4951 124.9021 51.4820 42.2064 175.5535 141 E 4.1084 8.8407 125.0483 58.8514 30.2304 178.7009 142 D 4.5347 8.4423 117.9240 57.1606 40.9813 176.9281 143 N 4.9071 8.8876 113.9090 53.4478 40.5584 175.3200 144 Q 4.6683 8.1587 117.8190 54.6389 30.1436 177.1371 145 D 4.3962 8.6134 119.2914 57.7259 41.0059 176.4854 146 D 4.5742 8.0328 116.3546 54.9730 39.9226 176.9919 147 L 4.4675 7.8050 120.1057 55.2137 42.0564 178.3096 148 T 3.8390 7.7739 117.2848 66.8162 68.4970 175.8813 149 D 4.4022 8.1412 120.4097 57.4753 40.8707 178.7783 150 E 4.0568 8.1125 117.4801 59.3923 29.8467 179.0324 151 R 3.9849 7.9554 118.9656 59.0530 30.0909 178.9552 152 I 3.8562 8.2230 122.0963 65.2924 37.1016 179.0787 153 S 4.2070 8.5986 119.6706 63.4772 61.9947 178.8320 154 K 4.2124 8.7927 122.3967 59.0656 31.8036 179.2611 155 W 4.1948 8.8645 128.9792 60.6551 30.5509 178.1318 156 V 3.3433 8.2843 118.3224 65.7013 30.6352 177.4459 157 E 4.0138 7.6764 118.1930 59.4731 29.6471 178.3100 158 Q 4.0164 7.9967 118.4962 58.8608 29.2652 178.4750 159 V 3.5530 8.1652 119.3586 66.7470 31.4551 179.7465 160 R 3.5406 8.3419 117.2188 59.3887 31.2296 176.7679 161 G 3.8255 8.1400 104.8722 49.4902 0.0000 174.4163 162 S 4.1115 8.3906 117.0235 60.7804 63.1756 176.3060 163 F 4.4046 7.7236 119.6715 55.7782 37.2975 175.6641 164 A 4.3159 7.7387 126.2266 52.0965 19.1462 176.3209 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 2 G 8.35 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 0.00 0.00 0.00 3 K 9.05 4.07 0.00 2.01 1.96 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.69 7.81 4 I 8.43 4.51 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.92 0.00 0.00 5 G 8.59 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 0.00 0.00 0.00 6 I 8.29 5.84 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 1.27 1.24 1.08 0.00 0.00 7 F 9.25 5.03 0.00 3.22 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 8 F 7.83 6.30 0.00 3.24 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 9 G 9.13 4.67 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 10 T 8.50 4.92 4.41 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 1.38 0.00 0.00 11 D 8.71 4.97 0.00 2.70 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 12 S 7.86 4.51 0.00 3.80 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 13 G 9.31 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 14 N 8.13 4.22 0.00 2.77 2.85 0.00 0.00 6.93 7.74 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 15 A 7.93 3.92 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 16 E 7.83 2.54 0.00 1.18 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 2.09 1.94 0.00 17 A 7.82 3.86 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 18 I 7.89 3.55 1.95 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 1.60 0.80 0.84 0.00 0.00 19 A 8.40 4.03 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 20 E 8.10 3.78 0.00 2.09 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 2.26 2.36 0.00 21 K 8.16 3.84 0.00 2.00 1.86 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.66 7.81 22 I 8.19 3.77 2.02 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 1.49 1.11 1.07 0.00 0.00 23 S 8.04 4.17 0.00 4.10 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 24 K 8.25 3.86 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.61 7.81 25 A 7.95 4.14 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 26 I 7.61 3.75 1.84 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 1.35 0.72 0.94 0.00 0.00 27 G 7.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.57 4.14 0.00 3.01 2.89 0.00 0.00 6.49 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.84 5.38 1.23 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 30 E 8.92 4.56 0.00 2.13 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 2.18 2.25 0.00 31 V 8.46 4.55 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 1.03 0.00 0.00 0.94 0.00 0.00 32 V 8.22 4.11 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 0.00 0.00 0.52 0.00 0.00 0.51 0.00 0.00 33 D 8.05 3.37 0.00 2.39 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 0.00 0.00 0.00 34 V 7.74 2.78 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 0.00 0.00 -0.99 0.00 0.00 0.18 0.00 0.00 35 A 8.51 4.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.53 4.48 0.00 1.77 1.76 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.14 1.27 7.81 37 A 7.73 4.85 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 38 S 8.42 4.93 0.00 4.05 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 39 K 8.66 3.71 0.00 1.83 1.92 0.00 1.42 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 40 E 8.14 3.91 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 41 Q 7.87 4.26 0.00 2.36 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 42 F 8.74 4.20 0.00 3.11 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 43 N 8.43 4.76 0.00 2.73 2.80 0.00 0.00 6.98 8.42 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 *44 S 7.60 4.42 0.00 3.66 3.76 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 45 F 7.08 5.22 0.00 2.90 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 46 T 8.66 4.35 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 1.20 0.00 0.00 47 K 8.05 4.91 0.00 1.92 2.02 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.38 1.49 7.81 48 V 9.85 5.15 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 0.59 0.00 0.00 1.12 0.00 0.00 49 I 9.29 5.14 1.91 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.18 1.07 0.00 0.00 50 L 10.10 5.58 0.00 1.45 1.69 1.55 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.16 4.88 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 1.10 0.00 0.00 1.05 0.00 0.00 52 A 8.47 5.08 0.50 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 53 P 0.00 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0.00 0.00 0.00 0.00 7.17 6.30 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 62 T 8.70 3.82 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63 D 8.24 4.37 0.00 2.86 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 64 W 8.40 4.14 0.00 3.55 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.16 4.07 0.00 2.01 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 2.34 2.42 0.00 66 D 8.38 4.51 0.00 2.98 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 67 F 8.40 4.21 0.00 2.97 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.84 3.88 0.00 2.26 1.79 1.18 0.96 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 69 G 7.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.17 4.15 4.09 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 1.24 0.00 0.00 71 L 7.27 4.74 0.00 1.45 1.13 -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.32 4.78 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 73 A 8.81 4.14 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 74 S 8.22 4.09 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.95 4.42 0.00 2.52 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 76 F 8.40 4.69 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.03 4.78 1.39 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 0.00 0.00 78 N 7.84 4.74 0.00 2.83 2.91 0.00 0.00 5.79 7.13 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 79 K 7.74 4.86 0.00 1.87 1.74 0.00 1.66 0.00 0.00 1.35 0.00 0.00 2.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.36 7.81 80 T 8.63 4.59 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 0.61 0.00 0.00 81 I 9.24 5.18 2.02 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 1.58 0.82 1.12 0.00 0.00 82 G 9.41 4.87 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 83 L 8.88 5.08 0.00 1.61 1.48 1.03 0.72 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 84 V 8.66 4.40 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 0.55 0.00 0.00 0.22 0.00 0.00 85 G 8.21 4.60 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 0.00 0.00 0.00 86 L 8.44 4.66 0.00 1.51 1.55 0.87 0.91 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 87 G 7.72 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 0.00 0.00 0.00 88 D 8.28 5.16 0.00 3.00 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 89 Q 9.14 3.44 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 90 D 8.21 4.49 0.00 2.76 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 91 T 8.25 4.06 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 0.72 0.00 0.00 92 Y 7.45 4.85 0.00 3.24 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 93 S 8.35 4.28 0.00 3.94 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 94 E 8.26 4.13 0.00 2.04 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 2.38 2.29 0.00 95 T 7.71 4.47 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 96 F 8.32 4.82 0.00 3.02 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.24 3.97 0.26 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 98 E 8.14 3.95 0.00 1.98 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 2.35 2.22 0.00 99 G 8.03 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 0.00 100 I 7.53 3.46 1.60 0.00 0.00 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 1.29 1.14 0.70 0.00 0.00 101 F 8.94 4.21 0.00 2.71 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 0.00 102 H 7.73 4.06 0.00 3.18 3.23 0.00 5.70 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 0.00 103 I 7.63 3.47 1.70 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.67 0.00 0.00 104 Y 8.04 3.73 0.00 3.00 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 0.00 105 E 7.35 3.53 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.03 0.00 106 K 7.27 4.02 0.00 1.25 1.67 0.00 1.70 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.33 7.81 107 A 7.02 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.08 3.70 0.00 1.58 0.99 0.00 1.53 0.00 0.00 1.42 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.30 7.81 109 A 7.77 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.43 4.86 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 0.00 111 K 8.38 4.46 0.00 1.86 1.68 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.36 7.81 112 V 8.38 4.91 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 1.09 0.00 0.00 0.94 0.00 0.00 113 V 8.83 4.50 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 0.72 0.00 0.00 1.06 0.00 0.00 114 G 9.17 4.57 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 0.00 0.00 0.00 115 Q 8.23 4.72 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 116 T 8.66 4.92 4.44 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 1.55 0.00 0.00 117 S 8.83 4.61 0.00 3.95 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 0.00 118 T 8.32 4.02 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 1.19 0.00 0.00 119 D 8.06 4.56 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 0.00 120 G 9.00 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 0.00 121 Y 7.81 4.73 0.00 3.44 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 0.00 122 H 10.40 4.87 0.00 2.99 3.19 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.99 4.95 0.00 3.38 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.04 4.06 0.00 2.01 1.90 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 2.23 1.87 0.00 125 A 7.99 4.86 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 0.00 126 S 8.24 4.51 0.00 3.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.90 3.67 0.00 1.81 1.34 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.76 0.63 7.81 128 A 7.74 4.05 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 0.00 129 V 7.48 4.19 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 0.71 0.00 0.00 1.09 0.00 0.00 130 E 9.45 4.47 0.00 1.71 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 2.06 2.12 0.00 131 G 10.05 4.13 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 0.00 0.00 0.00 132 G 9.83 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 0.00 0.00 0.00 133 K 7.88 4.45 0.00 2.11 1.82 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 134 F 8.29 4.88 0.00 3.26 2.87 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 0.00 135 V 8.19 3.74 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 0.77 0.00 0.00 0.38 0.00 0.00 136 G 7.17 4.52 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 0.00 137 L 7.69 4.07 0.00 0.27 0.44 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.94 4.32 1.08 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 0.11 0.00 0.00 -0.86 0.00 0.00 139 I 8.43 4.44 1.77 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 0.96 0.68 0.89 0.00 0.00 140 D 8.50 5.75 0.00 3.06 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 0.00 141 E 8.84 4.11 0.00 2.01 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 2.31 2.26 0.00 142 D 8.44 4.53 0.00 2.89 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 0.00 143 N 8.89 4.91 0.00 2.64 2.92 0.00 0.00 6.93 7.54 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 0.00 144 Q 8.16 4.67 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 145 D 8.61 4.40 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.03 4.57 0.00 2.85 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 0.00 147 L 7.80 4.47 0.00 1.80 1.70 0.81 0.57 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 0.00 148 T 7.77 3.84 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 1.20 0.00 0.00 149 D 8.14 4.40 0.00 2.69 2.74 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 0.00 150 E 8.11 4.06 0.00 2.22 2.22 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 2.48 2.45 0.00 151 R 7.96 3.98 0.00 2.18 2.10 0.00 3.28 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 152 I 8.22 3.86 2.07 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 1.41 0.82 0.99 0.00 0.00 153 S 8.60 4.21 0.00 3.68 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 0.00 154 K 8.79 4.21 0.00 2.01 1.98 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.67 7.81 155 W 8.86 4.19 0.00 3.47 3.30 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 0.00 156 V 8.28 3.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.08 0.00 0.00 157 E 7.68 4.01 0.00 2.24 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 2.33 2.48 0.00 158 Q 8.00 4.02 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 159 V 8.17 3.55 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 0.78 0.00 0.00 -0.36 0.00 0.00 160 R 8.34 3.54 0.00 1.94 2.05 0.00 3.51 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 161 G 8.14 3.83 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 0.00 0.00 0.00 162 S 8.39 4.11 0.00 3.77 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 0.00 163 F 7.72 4.40 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 7.74 4.32 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 * Residues marked with a * may have inaccurate shift predictions.