NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7219 8.4244 117.7999 52.1108 39.6869 173.1981 7 D 4.6537 8.4108 119.7724 50.6035 41.7257 174.8759 8 P 3.5066 0.0000 0.0000 64.4472 32.2813 176.6848 9 L 4.2325 8.3421 118.5061 55.8781 42.1023 176.6854 10 L 5.0553 7.7277 119.1106 51.7547 44.4115 174.3042 11 P 4.3863 0.0000 0.0000 64.3134 31.7180 176.8736 12 G 3.9422 8.8498 108.9612 45.2552 0.0000 173.1967 13 Y 3.8943 7.1320 120.9108 57.1962 39.1677 175.2560 14 S 4.1394 7.5596 123.5106 57.8575 62.6557 174.0696 15 F 4.5961 8.4345 126.7472 57.6650 40.8727 176.4938 16 N 4.5789 8.2548 120.5774 52.7251 42.0383 176.8179 17 A 4.3652 8.8192 119.1516 55.8839 19.1007 177.5701 18 H 4.8821 8.0660 113.0393 55.1091 29.6658 174.8957 19 L 4.7572 9.0510 126.3991 55.4220 42.8470 176.3510 20 V 4.8771 9.4478 124.4277 61.3613 35.1342 173.9514 21 A 4.5403 8.2943 127.1088 50.4683 22.7707 174.8587 22 G 3.3422 6.1593 104.9794 45.7219 0.0000 171.6388 23 L 4.9493 8.4053 121.3213 53.4328 44.5811 176.1855 24 T 4.2869 8.9893 123.9545 61.2442 69.6552 171.2954 25 P 3.8551 0.0000 0.0000 60.7451 29.9048 174.3745 26 I 3.7324 8.0704 127.7615 62.1271 38.5447 174.7979 27 E 5.1531 8.6439 125.8733 53.9071 32.7356 175.5606 28 A 4.2488 8.7831 127.2577 54.0034 18.7969 177.5896 29 N 4.2873 9.8384 118.9802 53.6488 37.3482 174.8885 30 G 4.0878 8.0021 109.1886 44.3903 0.0000 174.1975 31 Y 4.4315 8.8341 116.2078 58.8105 38.0360 176.4503 32 L 4.1372 7.2042 118.8298 54.4583 42.6947 176.7419 33 D 4.5783 7.7682 120.8646 52.6058 39.4487 174.4308 34 F 5.1754 6.4820 114.9143 55.2939 41.7177 174.3747 35 F 4.7470 9.0261 119.6931 56.5672 40.3817 175.9417 36 I 3.9769 8.7408 124.3225 61.5274 38.0971 174.9386 37 D 5.0892 8.6243 125.7447 52.3756 41.9673 173.7845 38 R 4.6721 9.1717 123.9573 52.6712 29.9482 174.3191 39 P 4.2204 0.0000 0.0000 64.6240 31.8235 178.1460 40 L 4.4893 7.8659 117.1115 53.9223 42.2783 177.9988 41 G 4.3620 7.9045 108.2555 44.0348 0.0000 172.4671 42 M 4.8740 8.1635 119.2575 53.8316 36.1436 177.1732 43 K 3.9993 8.8653 121.2444 57.0009 32.1355 176.7664 44 G 3.8114 7.6225 104.9028 45.0398 0.0000 172.8465 45 Y 4.7100 8.0906 117.0996 56.6742 40.3950 175.4108 46 I 5.5081 8.7073 121.0454 59.9314 41.8286 174.2908 47 L 5.4885 9.4849 126.3626 53.1806 44.6050 174.9743 48 N 5.7436 9.6776 121.6293 51.7940 42.5038 172.4853 49 L 5.0675 8.7428 128.1397 53.3772 44.8933 175.2330 50 T 4.8304 8.6394 123.7227 63.4751 69.2005 175.2249 51 I 4.4284 8.9402 119.1071 61.0925 39.7461 175.7967 52 R 4.4263 8.1068 120.5382 56.0918 34.3099 176.3797 53 G 4.6001 8.8588 109.0111 45.9027 0.0000 172.5560 54 Q 4.7228 8.4660 117.6642 54.3390 33.5389 174.4120 55 G 2.8867 8.3756 109.2810 43.5563 0.0000 171.9610 56 V 4.7999 8.2027 120.4681 59.5617 34.1762 174.5113 57 V 5.0682 9.3906 125.8792 61.2482 33.3235 174.3971 58 K 5.1623 9.4898 127.9280 55.0885 34.8242 176.4684 59 N 4.1571 8.9459 121.5449 53.5653 40.5212 174.3649 60 Q 3.4369 9.6893 128.1974 56.8158 26.1706 174.2002 61 G 4.0637 8.0454 104.8817 45.3638 0.0000 173.2464 62 R 4.4473 7.5732 118.0897 55.9637 31.6280 175.6869 63 E 5.4713 8.7212 119.4384 54.8428 33.8392 174.7671 64 F 4.8219 9.5737 124.9103 56.4341 43.0985 173.4627 65 V 4.4379 7.4159 125.8956 61.5570 32.4231 174.3981 66 C 4.9777 8.8130 126.3003 57.5505 31.9757 173.6720 67 R 5.1004 9.1912 121.4282 53.8219 33.8581 171.5718 68 P 4.4961 0.0000 0.0000 65.7586 31.5945 176.8535 69 G 4.1535 8.9672 111.6372 44.7894 0.0000 173.5095 70 D 4.4070 8.2315 120.5511 54.0613 42.3033 175.4858 71 I 5.0968 8.2226 123.8158 59.5387 40.1278 174.5740 72 L 5.3136 9.3758 126.8446 52.8190 45.0569 175.1037 73 L 4.9187 8.5119 124.1421 53.2566 45.0044 175.0605 74 F 4.8134 9.3300 125.8253 55.0853 40.9534 173.5848 75 P 4.0395 0.0000 0.0000 60.6392 32.9478 174.4041 76 P 4.4722 0.0000 0.0000 64.4125 31.4662 177.5016 77 G 3.9789 9.0933 111.1169 45.3768 0.0000 173.5686 78 E 4.2006 7.9618 121.7693 55.9065 30.7996 176.2519 79 I 4.2720 8.5665 127.1953 62.0965 38.2480 175.1686 80 H 4.7872 9.2793 123.8541 54.6075 30.9912 173.0981 81 H 5.8009 9.1515 124.2976 54.4985 31.7575 171.1765 82 Y 5.4252 7.6202 121.8075 56.1354 41.8418 173.8172 83 G 3.2284 8.0115 106.4431 45.1069 0.0000 172.3223 84 R 4.4883 8.5212 120.3487 56.7759 30.7084 175.9320 85 H 4.2967 9.0119 127.3098 55.4174 30.3387 174.4679 86 P 4.5901 0.0000 0.0000 65.4255 31.0765 176.6925 87 E 4.3173 8.3040 115.9973 56.3859 30.0359 175.5094 88 A 4.7599 8.2033 125.1173 50.9526 21.0839 178.0524 89 R 4.4047 8.4875 121.2701 59.2818 30.9389 175.2735 90 E 5.1847 7.9936 113.5145 56.1028 33.4920 174.6882 91 W 5.7313 9.5857 131.1143 56.9325 33.2137 172.0610 92 Y 5.0320 9.2763 125.7764 56.7052 39.2622 174.5658 93 H 5.1896 8.3689 119.3615 53.8631 32.2887 172.6538 94 Q 4.9638 9.1420 120.4841 54.9061 30.9867 174.5970 95 W 6.1356 8.4161 117.8636 55.7365 32.4358 173.9147 96 V 5.0534 9.4228 120.5083 60.7202 34.4623 173.0349 97 Y 5.4947 10.0906 127.8404 56.2116 40.5703 174.2395 98 F 5.1404 8.5013 120.5948 56.0503 42.1021 172.8562 99 R 4.9117 8.4558 118.6954 53.6460 31.6823 174.7687 100 P 3.8500 0.0000 0.0000 61.9207 32.5992 176.3281 101 R 3.4275 5.8400 117.8293 55.2179 30.4421 177.4914 102 A 3.7960 8.3700 124.2430 55.6775 18.2518 179.0322 103 Y 4.3008 7.2959 109.8488 57.6497 38.5621 176.2724 104 W 3.3689 7.7881 123.7034 58.9823 29.9650 178.5512 *105 H 3.9596 7.8498 118.3296 58.3990 27.2120 183.1006 106 E 4.3328 7.7885 113.0879 57.0304 29.6832 178.8790 107 W 5.0893 8.1248 116.3905 57.5885 29.6453 176.2870 108 L 4.7608 8.0008 117.4459 54.5417 41.5488 176.8243 109 N 4.8336 8.2791 119.5298 52.0211 37.6031 173.7019 110 W 5.0504 8.2085 122.4179 53.8052 32.0277 173.9913 111 P 4.5380 0.0000 0.0000 63.0280 32.0367 175.6191 112 S 5.3382 8.5382 119.1703 57.1394 64.1969 174.5923 113 I 3.5660 8.3028 117.4414 62.9819 37.9544 175.9863 114 F 4.6646 7.7617 112.4867 56.6872 40.7972 176.9061 115 A 3.8462 8.5733 126.0604 53.7370 17.9147 177.7038 116 N 4.9630 9.2583 113.7192 55.8265 39.3078 174.2883 117 T 4.2448 8.2713 116.0036 61.7833 69.5150 175.5622 118 G 4.2392 8.7136 115.0399 46.2193 0.0000 171.2389 119 F 5.5206 9.1689 122.9259 56.3788 42.8876 173.7875 120 F 4.5391 8.7507 127.7056 56.4544 42.5523 172.9382 121 R 3.9790 7.6988 126.5497 53.3509 31.4028 173.5323 122 P 3.4838 0.0000 0.0000 61.8684 32.0554 176.8305 123 D 4.6325 8.3380 123.9992 53.3963 41.3853 177.7095 124 E 3.9458 8.6940 118.2551 61.4885 29.5320 176.5678 125 A 4.3468 7.9637 120.1168 55.3740 18.8704 179.0105 126 H 4.5764 8.9590 114.4705 58.3140 28.7032 177.6446 127 Q 4.0568 8.2631 120.8411 58.8591 28.5557 177.7468 128 P 4.2595 0.0000 0.0000 66.3738 31.0556 178.0658 129 H 4.1707 7.9417 115.3609 58.6784 28.6734 177.6458 130 F 4.0332 8.4942 119.7073 60.2520 38.7498 177.7707 131 S 4.1899 8.6636 113.3546 61.5982 62.2786 176.0106 132 D 4.3789 8.4660 121.9426 57.2955 40.4858 178.5621 133 L 3.9167 8.2029 121.0879 58.0494 42.0806 178.7299 134 F 3.8460 8.8532 121.2503 61.2211 39.2500 177.3011 135 G 3.7277 8.3985 105.3712 47.9640 0.0000 175.7075 136 Q 3.9959 8.1761 120.3164 58.6450 28.6939 178.7501 137 I 3.5890 7.8976 121.0721 64.4002 37.0479 178.4775 138 I 3.5944 7.8025 122.8522 64.9924 36.7362 178.6329 139 N 4.2722 8.1320 118.7598 57.6053 37.6286 178.5060 140 A 4.4272 8.3970 123.7905 55.0223 18.3413 179.9896 141 G 3.6168 8.4357 103.0795 47.6083 0.0000 174.8631 142 Q 4.4807 8.1308 117.6978 54.8719 29.4167 176.4128 143 G 3.9445 7.3658 111.5756 45.7415 0.0000 174.3487 144 E 4.1631 8.6954 116.4042 57.7171 30.3886 178.6326 145 G 3.9880 8.1325 109.5828 46.3379 0.0000 174.7349 146 R 3.9366 8.3062 116.5380 57.7221 29.6913 177.0121 147 Y 4.7163 7.5198 112.4321 58.5090 39.1115 177.4691 148 S 4.1613 7.9269 118.8057 61.7688 62.8366 176.2635 149 E 4.0071 8.1297 121.3196 59.2779 29.4432 178.5983 150 L 4.0720 7.9512 118.5947 57.7455 41.6964 179.1014 151 L 3.9882 8.4839 120.4799 58.0466 41.9570 178.8760 152 A 3.9669 8.3829 121.0641 55.1939 18.2780 179.5922 153 I 3.8072 8.2254 118.7583 64.5804 37.1953 178.0822 154 N 4.4158 8.6207 118.1622 56.9295 38.7634 176.9198 155 L 3.9148 8.2706 120.6718 57.4590 41.5337 179.3074 156 L 3.5776 8.0855 120.7415 57.9301 41.9213 178.4549 157 E 2.7796 8.0699 119.6023 58.9990 29.4424 178.5300 158 Q 3.7404 7.8849 119.4034 59.0166 29.0439 178.0259 159 L 3.8300 7.7300 121.3064 58.1794 42.1189 178.8635 160 L 3.9975 7.8468 119.0584 57.9532 41.5737 179.6536 161 L 3.4021 7.8077 119.0729 57.5365 41.3598 179.7792 162 R 3.9840 8.4636 118.4577 58.9310 29.7851 179.1673 163 R 3.6518 8.1157 118.8404 59.4863 30.0334 178.3817 164 M 3.8368 7.7845 118.5082 58.2662 31.6758 178.3872 165 E 3.8153 8.2754 118.3286 59.1986 29.9077 178.3941 166 A 4.1292 7.9789 120.1725 54.9769 18.5960 179.1125 167 I 3.9904 7.9873 112.0582 63.0233 38.1017 176.9913 168 N 4.6596 7.7242 125.5755 54.6045 37.8423 179.9086 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 6 N 8.42 4.72 0.00 2.76 2.68 0.00 0.00 6.60 7.17 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 7 D 8.41 4.65 0.00 2.83 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 8 P 0.00 3.51 0.00 2.15 0.79 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 9 L 8.34 4.23 0.00 1.87 1.79 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.73 5.06 0.00 1.80 1.57 1.10 1.12 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 11 P 0.00 4.39 0.00 1.91 1.95 0.00 3.39 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.04 0.00 12 G 8.85 3.94 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 13 Y 7.13 3.89 0.00 3.11 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 14 S 7.56 4.14 0.00 3.53 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.43 4.60 0.00 2.85 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.25 4.58 0.00 2.69 2.31 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 17 A 8.82 4.37 1.27 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 18 H 8.07 4.88 0.00 3.34 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.05 4.76 0.00 1.84 1.73 1.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.45 4.88 2.80 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 1.19 0.00 0.00 1.47 0.00 0.00 21 A 8.29 4.54 1.04 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 22 G 6.16 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.41 4.95 0.00 1.50 1.43 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.99 4.29 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 25 P 0.00 3.86 0.00 0.98 1.14 0.00 3.49 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 26 I 8.07 3.73 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.48 0.92 0.00 0.00 27 E 8.64 5.15 0.00 1.91 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 2.59 2.33 0.00 28 A 8.78 4.25 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 29 N 9.84 4.29 0.00 2.90 3.02 0.00 0.00 7.00 7.52 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 30 G 8.00 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 0.00 0.00 0.00 0.00 31 Y 8.83 4.43 0.00 3.20 3.11 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 0.00 0.00 0.00 32 L 7.20 4.14 0.00 1.13 1.15 0.45 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.77 4.58 0.00 2.87 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 34 F 6.48 5.18 0.00 3.21 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.03 4.75 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.74 3.98 0.91 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 0.97 0.60 0.47 0.00 0.00 37 D 8.62 5.09 0.00 2.65 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 38 R 9.17 4.67 0.00 1.62 1.72 0.00 2.80 0.00 0.00 2.99 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 39 P 0.00 4.22 0.00 2.14 2.12 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 40 L 7.87 4.49 0.00 1.62 1.69 0.91 0.90 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 41 G 7.90 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 0.00 0.00 0.00 0.00 42 M 8.16 4.87 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 43 K 8.87 4.00 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 44 G 7.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.09 4.71 0.00 1.43 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 0.00 0.00 0.00 46 I 8.71 5.51 2.18 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 1.57 1.03 1.22 0.00 0.00 47 L 9.48 5.49 0.00 1.94 2.08 0.97 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.68 5.74 0.00 2.93 2.89 0.00 0.00 6.38 7.05 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 49 L 8.74 5.07 0.00 0.64 0.13 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.64 4.83 4.56 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 1.56 0.00 0.00 51 I 8.94 4.43 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.92 0.00 0.00 52 R 8.11 4.43 0.00 1.51 1.47 0.00 3.05 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 53 G 8.86 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 54 Q 8.47 4.72 0.00 1.88 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 55 G 8.38 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 0.00 0.00 0.00 56 V 8.20 4.80 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 0.93 0.00 0.00 1.00 0.00 0.00 57 V 9.39 5.07 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 1.64 0.00 0.00 1.14 0.00 0.00 58 K 9.49 5.16 0.00 1.68 1.68 0.00 1.46 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 59 N 8.95 4.16 0.00 1.62 1.42 0.00 0.00 7.37 6.43 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 60 Q 9.69 3.44 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 61 G 8.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.57 4.45 0.00 1.71 2.03 0.00 3.24 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 63 E 8.72 5.47 0.00 1.86 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 2.25 2.32 0.00 64 F 9.57 4.82 0.00 3.05 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 65 V 7.42 4.44 1.68 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 0.65 0.00 0.00 0.76 0.00 0.00 66 C 8.81 4.98 0.00 3.26 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 67 R 9.19 5.10 0.00 1.46 1.79 0.00 3.30 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 68 P 0.00 4.50 0.00 2.04 2.07 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 69 G 8.97 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.23 4.41 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.22 5.10 2.13 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 1.27 0.76 1.40 0.00 0.00 72 L 9.38 5.31 0.00 1.71 1.26 1.16 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.51 4.92 0.00 0.27 0.84 0.87 0.12 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 74 F 9.33 4.81 0.00 3.04 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 75 P 0.00 4.04 0.00 1.89 1.70 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.05 0.00 76 P 0.00 4.47 0.00 1.80 2.03 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.36 0.00 77 G 9.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.96 4.20 0.00 2.26 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 2.37 2.55 0.00 79 I 8.57 4.27 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 1.55 0.68 0.99 0.00 0.00 80 H 9.28 4.79 0.00 2.85 2.74 0.00 5.58 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 9.15 5.80 0.00 3.17 3.45 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.62 5.43 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.01 3.23 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 84 R 8.52 4.49 0.00 1.97 1.89 0.00 3.53 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 85 H 9.01 4.30 0.00 3.19 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.59 0.00 2.22 2.22 0.00 3.35 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 87 E 8.30 4.32 0.00 2.09 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 2.30 2.36 0.00 88 A 8.20 4.76 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 89 R 8.49 4.40 0.00 1.52 1.95 0.00 3.28 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 90 E 7.99 5.18 0.00 2.43 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 2.28 2.22 0.00 91 W 9.59 5.73 0.00 3.57 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 9.28 5.03 0.00 2.93 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 93 H 8.37 5.19 0.00 3.12 2.51 0.00 5.25 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 9.14 4.96 0.00 1.67 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 95 W 8.42 6.14 0.00 3.65 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 96 V 9.42 5.05 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 0.69 0.00 0.00 1.05 0.00 0.00 97 Y 10.09 5.49 0.00 3.26 3.43 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 98 F 8.50 5.14 0.00 3.13 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 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8.12 5.09 0.00 3.43 3.11 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 0.00 0.00 0.00 108 L 8.00 4.76 0.00 1.83 1.69 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.28 4.83 0.00 2.79 2.89 0.00 0.00 7.06 7.95 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 0.00 110 W 8.21 5.05 0.00 3.18 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 0.00 111 P 0.00 4.54 0.00 2.16 2.01 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 112 S 8.54 5.34 0.00 3.75 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 0.00 113 I 8.30 3.57 0.74 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 -0.25 0.00 0.00 114 F 7.76 4.66 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.57 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 9.26 4.96 0.00 2.66 2.99 0.00 0.00 7.14 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 0.00 117 T 8.27 4.24 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 118 G 8.71 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.17 5.52 0.00 2.75 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 0.00 120 F 8.75 4.54 0.00 1.68 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 0.00 0.00 0.00 0.00 121 R 7.70 3.98 0.00 1.64 1.71 0.00 3.60 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.00 122 P 0.00 3.48 0.00 1.83 1.59 0.00 3.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.00 123 D 8.34 4.63 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.69 3.95 0.00 2.09 1.93 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 2.24 1.97 0.00 125 A 7.96 4.35 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 0.00 126 H 8.96 4.58 0.00 3.58 3.84 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.26 4.06 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 128 P 0.00 4.26 0.00 2.10 2.25 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 129 H 7.94 4.17 0.00 3.21 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.49 4.03 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.66 4.19 0.00 3.91 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 0.00 132 D 8.47 4.38 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.20 3.92 0.00 1.75 1.79 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.85 3.85 0.00 3.46 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.40 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.18 4.00 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 137 I 7.90 3.59 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.69 0.00 0.00 138 I 7.80 3.59 1.96 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 1.68 0.98 0.78 0.00 0.00 139 N 8.13 4.27 0.00 2.80 2.75 0.00 0.00 7.11 7.77 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 0.00 140 A 8.40 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.44 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.13 4.48 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 143 G 7.37 3.94 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 0.00 144 E 8.70 4.16 0.00 2.00 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 2.20 1.87 0.00 145 G 8.13 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.31 3.94 0.00 1.85 1.85 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 147 Y 7.52 4.72 0.00 3.03 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 0.00 148 S 7.93 4.16 0.00 3.93 4.14 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 0.00 149 E 8.13 4.01 0.00 2.08 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 2.46 2.50 0.00 150 L 7.95 4.07 0.00 2.03 1.82 1.10 0.61 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 0.00 151 L 8.48 3.99 0.00 1.99 1.88 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.38 3.97 1.42 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 0.00 0.00 0.00 153 I 8.23 3.81 2.14 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 1.68 0.98 1.12 0.00 0.00 154 N 8.62 4.42 0.00 2.85 3.10 0.00 0.00 7.28 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 0.00 155 L 8.27 3.91 0.00 1.77 1.60 0.92 0.39 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 0.00 156 L 8.09 3.58 0.00 1.59 1.76 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.07 2.78 0.00 2.12 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 2.28 2.32 0.00 158 Q 7.88 3.74 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 159 L 7.73 3.83 0.00 1.63 1.69 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.85 4.00 0.00 1.60 1.75 0.47 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.81 3.40 0.00 1.51 1.31 0.65 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.46 3.98 0.00 1.71 1.64 0.00 3.06 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.42 0.00 163 R 8.12 3.65 0.00 1.27 1.71 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 164 M 7.78 3.84 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.66 0.00 165 E 8.28 3.82 0.00 1.82 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 2.31 2.28 0.00 166 A 7.98 4.13 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 0.00 167 I 7.99 3.99 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.78 0.00 0.00 168 N 7.72 4.66 0.00 2.85 2.61 0.00 0.00 6.83 8.01 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 * Residues marked with a * may have inaccurate shift predictions.