NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7162 8.5298 119.6557 55.4671 33.2968 174.5323 2 N 4.6926 7.4660 118.1918 49.5346 41.8979 173.4646 3 I 3.5193 9.0549 120.4534 64.2868 38.1011 178.7315 4 F 4.0655 7.6189 117.9252 60.6947 38.9404 177.3923 5 E 4.0283 8.1054 117.6706 59.2307 29.2520 179.0215 6 M 3.5695 7.7549 118.3633 58.6216 32.3069 178.4267 7 L 3.9492 7.9465 119.1016 57.4896 41.6353 179.4404 8 R 3.5539 8.0283 118.9709 59.2440 29.7352 178.7001 9 I 3.7012 7.3380 118.1226 64.6706 37.2766 177.9864 10 D 4.5458 8.1156 118.2480 56.7076 40.7252 177.7839 11 E 4.4270 8.7773 117.6656 55.8300 30.7195 177.2923 12 G 3.8171 8.4769 108.6452 44.3607 0.0000 171.6143 13 L 4.7897 8.0813 119.1427 53.3382 44.8116 175.7586 14 R 4.6789 8.9211 124.6186 54.4748 33.6380 175.8760 15 L 4.6344 8.6489 121.3087 54.4183 43.2844 175.5549 16 K 5.0527 7.7249 119.8845 54.1217 35.2430 175.7364 17 I 4.0821 8.4348 127.4565 62.7306 37.6879 174.6992 18 Y 4.9342 9.5769 126.6244 55.7819 42.9172 173.6949 19 K 4.6188 7.4538 125.8911 54.4438 33.6023 175.7948 20 D 4.8577 8.8791 128.7269 52.6210 40.5112 177.2143 21 T 3.8825 8.4850 108.6679 64.5932 68.5017 174.7805 22 E 4.2662 8.2895 118.8890 56.4381 29.8987 176.8489 23 G 3.8869 8.2570 107.7536 44.9124 0.0000 173.4388 24 Y 4.3183 8.6391 118.0457 57.5795 39.6708 174.2448 25 Y 4.8815 8.4602 120.1331 57.8293 39.7581 174.4833 26 T 5.3013 9.6571 118.0816 61.0488 71.9563 171.8268 27 I 4.4501 8.9918 124.0459 60.3141 42.2209 175.4888 28 G 3.8520 9.2248 114.0493 47.2175 0.0000 176.3161 29 I 4.6227 7.7023 119.7660 59.1121 36.1520 174.7260 30 G 3.9947 8.3768 111.2238 46.4863 0.0000 171.4144 31 H 4.4224 8.3232 121.0167 55.0699 28.6290 173.9112 32 A 5.2119 8.0790 127.4852 49.3793 21.0531 177.8512 33 A 4.7655 8.7884 120.9289 52.0448 20.6751 179.5318 *38 S 4.2981 8.6189 114.1942 60.3573 64.3523 173.8967 39 L 3.0092 8.4839 121.3220 58.1698 41.7673 178.7036 40 N 4.2814 8.0874 115.6825 56.2439 38.4902 177.0921 41 A 3.9817 7.8868 121.6197 54.9163 18.3916 179.5440 42 A 3.9685 7.9487 119.2838 55.4220 18.5156 180.1209 43 K 3.8891 8.3316 117.4274 59.4382 32.1091 179.6391 44 S 4.0950 8.1144 113.6545 61.2318 62.3363 175.8540 45 E 3.9286 8.2969 122.0594 59.1227 29.4404 178.4996 46 L 3.9881 8.1644 120.5395 58.4070 42.2213 178.6632 47 D 4.6661 8.5274 120.5356 56.7085 40.4844 178.7900 48 K 3.9967 7.8540 118.9771 59.3524 32.2804 178.5211 49 A 4.1438 7.8480 120.2106 55.1882 18.3916 179.3207 50 I 3.9903 8.1146 117.7892 62.6229 37.3514 177.4237 51 G 4.0436 9.7131 107.2456 44.8419 0.0000 172.6465 52 R 4.3353 7.4042 114.0431 54.9312 31.6076 173.6526 53 N 4.9321 8.5271 117.6643 53.2506 37.7606 174.3358 54 T 4.0673 9.1452 117.0285 61.8328 69.5519 175.2775 55 N 3.9648 9.2249 118.8614 54.4753 37.5233 174.5755 56 G 3.9738 8.2845 102.3565 44.9799 0.0000 173.8044 57 V 5.0323 7.8293 112.6598 59.3296 34.5146 174.9839 58 I 4.9035 8.6512 118.2560 59.2152 41.2150 174.6930 59 T 4.3792 8.8121 112.8821 60.4012 70.6562 176.1251 60 K 3.9215 8.6545 122.3661 59.8286 32.2143 178.4195 61 D 4.3571 8.0725 118.6426 57.5265 40.7975 178.5496 62 E 4.0105 8.3974 118.8530 59.1963 29.3492 179.2437 63 A 4.0601 8.2109 120.9839 55.2547 18.3861 179.5940 64 E 4.0969 8.5072 117.3311 59.3698 29.5086 179.5004 65 K 3.9843 8.2611 119.8080 59.4161 32.1786 178.9292 66 L 4.2023 8.1263 119.3598 57.7237 41.4564 179.1915 67 F 4.6589 8.6516 120.7892 61.6853 39.3947 176.8794 68 N 4.4131 8.7058 116.4578 56.4508 38.2954 177.4569 69 Q 4.0451 8.2686 119.4144 59.1797 28.8404 178.5775 70 D 4.3992 8.6385 120.2961 57.2811 40.7717 179.0672 71 V 3.7553 8.3282 119.2421 66.0299 31.4344 177.5736 72 D 4.2855 8.2745 117.6466 57.3101 41.0029 178.1161 73 A 3.9629 8.2607 121.1489 54.9632 18.3376 179.5457 74 A 3.8789 7.9502 119.3934 55.1924 18.5181 180.0201 75 V 3.3089 7.9077 116.8931 66.2907 31.6469 178.5681 76 R 4.0161 8.3837 118.2467 58.9784 29.5873 179.2968 77 G 3.5860 7.9810 105.1209 47.6713 0.0000 175.6032 78 I 3.7879 7.6059 122.1441 64.2572 36.9503 178.6696 79 L 4.0231 7.5808 118.0291 57.2508 41.4755 178.8525 80 R 4.3562 7.7708 115.5365 55.2035 30.7144 175.4032 81 N 4.7818 7.5329 119.2562 51.5266 40.2011 175.3278 82 A 4.0180 8.7294 127.8279 55.2131 18.4856 179.0924 83 K 4.1453 8.0594 115.6473 59.1569 32.6794 178.9119 84 L 4.2326 8.4458 119.3391 57.0342 41.6207 178.9163 85 K 3.8784 8.1623 119.8156 59.4419 32.1999 176.9172 86 P 4.2873 0.0000 0.0000 65.4691 31.0034 178.8550 87 V 3.5971 7.6954 115.7517 66.1090 32.0267 176.8344 88 Y 4.2618 8.2868 119.4735 60.9456 38.4163 177.5742 89 D 4.3577 8.4030 118.0229 57.4992 41.3898 178.2290 90 S 4.2758 7.8906 113.1323 59.9891 63.3772 174.7333 91 L 4.3443 6.8195 121.7180 53.9924 42.3552 176.7859 92 D 4.5963 8.2619 121.1581 52.5114 41.7544 177.1432 93 A 3.8845 8.3339 120.9162 55.3709 18.1182 180.0706 94 V 2.9138 7.4455 115.9718 66.0515 31.6669 178.4489 95 R 3.6432 7.8879 117.7220 58.9460 29.7220 179.1977 96 R 3.8994 7.9647 117.9317 59.1983 29.9077 178.8582 97 A 3.9703 7.6740 120.0829 55.0880 18.3847 179.5626 98 A 3.6248 7.3485 119.0298 54.9214 18.1993 179.6839 99 L 4.1752 7.7517 118.9609 58.4028 42.2274 179.2231 100 I 3.7272 8.0964 120.0408 64.1925 37.0058 177.7807 101 N 4.2686 8.3993 118.1870 57.0967 38.7126 176.7557 102 M 3.9624 8.0687 119.8783 58.4500 31.9283 178.9936 103 V 3.5254 7.9152 118.3381 65.8169 31.4445 177.7328 104 F 3.9429 8.5232 120.0391 61.2554 39.2840 176.7274 105 Q 4.2690 8.2936 118.2781 58.8917 29.1841 177.0043 106 M 4.5469 8.4240 114.4415 53.8855 32.6671 176.8157 107 G 4.0058 7.7911 105.9874 45.6234 0.0000 174.8470 108 V 3.5132 8.3345 118.3901 66.2647 31.3095 178.3351 109 T 3.9576 7.9529 113.5932 66.6106 68.5244 176.1298 110 G 3.8959 8.0990 106.9592 48.0807 0.0000 175.7321 111 V 3.5179 7.6652 120.5860 65.3706 31.3242 177.8725 112 A 4.2018 8.2680 119.8501 54.4902 18.2652 179.0428 113 G 3.7505 7.7343 102.3808 45.7548 0.0000 174.2825 114 F 4.3432 8.3222 123.0672 56.2727 38.1013 176.1831 115 T 3.8855 7.7970 122.6017 67.1100 68.7640 175.8474 116 N 4.3098 8.1007 117.1802 56.6330 38.6067 177.4896 117 S 4.1202 8.1082 115.7879 61.6436 63.0116 176.6181 118 L 3.9480 8.3103 121.9568 57.8930 41.4546 179.8622 119 R 3.9264 8.0959 117.9421 59.5103 29.9062 179.0737 120 M 3.9981 8.2324 118.6310 58.2562 31.9455 178.8174 121 L 4.0076 8.1469 119.4572 57.8939 41.5988 179.3643 122 Q 4.0302 7.9956 118.3574 58.7159 29.0258 177.3242 123 Q 4.2047 7.4233 115.8631 54.5594 28.9900 175.6443 124 K 2.0000 6.9742 117.9262 56.8163 30.5524 177.5155 125 R 4.0056 7.0825 119.4457 54.0427 26.9353 176.3199 126 W 4.6628 7.1529 122.9303 60.2168 29.6828 177.6539 127 D 4.4520 8.2155 118.0788 57.3183 40.3628 178.5381 128 E 3.9741 8.1774 118.5522 59.1475 29.4467 178.9292 129 A 3.9469 8.3047 120.7891 55.2816 18.5411 179.4502 130 A 4.0374 8.3132 119.3732 55.3409 18.1774 180.0325 131 V 3.5231 7.6729 115.7184 66.3200 32.0417 177.7894 132 N 4.5215 8.1558 116.1332 56.3000 38.1614 177.3916 133 L 4.4320 8.2284 119.6105 57.9914 41.8420 179.2246 134 A 3.7074 7.7970 119.0450 53.5538 19.6083 178.4145 135 K 4.2704 7.3890 118.9822 54.6766 31.0071 176.4435 136 S 4.7728 7.3308 115.2885 56.0426 67.9105 175.3866 137 R 4.0851 8.6778 121.7377 58.8351 29.8571 178.9565 138 W 4.4318 8.5630 128.0473 60.8134 30.5408 177.0043 139 Y 3.3203 8.3803 119.1473 60.8485 38.0350 178.0952 140 N 4.3473 8.0907 115.3038 55.9847 38.6162 177.0068 141 Q 4.1946 8.0461 120.9101 57.9041 30.8630 176.2622 142 T 4.5341 7.4769 109.2069 58.4164 68.6058 172.3570 143 P 3.4457 0.0000 0.0000 65.7724 31.7917 178.4175 144 N 4.1424 7.7750 115.7434 55.9428 38.5083 177.2188 145 R 3.8145 7.7270 119.2938 59.3313 30.3359 178.1173 146 A 3.6073 7.6563 120.5864 54.9762 18.0619 179.7159 147 K 4.0464 8.1449 117.2903 59.6551 32.0932 179.8022 148 R 3.7877 7.7579 117.8186 59.1890 29.9594 179.2936 149 V 3.7432 8.1022 118.0652 66.1828 31.5223 178.1924 150 I 4.1736 8.6520 119.9540 64.8664 36.8976 178.5486 151 T 3.9517 8.4004 116.9482 66.8773 68.1349 176.8739 152 T 3.8925 7.9502 117.7519 66.6672 68.2431 176.8085 153 F 4.1979 8.0294 118.5881 60.3955 38.9671 177.5245 154 R 4.1669 8.3719 118.2201 59.4795 30.0924 178.0436 155 T 4.1976 8.0333 107.7220 61.2648 69.3985 175.6650 156 G 3.4688 7.7834 108.8518 45.8735 0.0000 172.7362 157 T 4.3717 7.2162 107.9072 59.2771 71.7067 173.5090 158 W 4.9222 8.3448 118.8684 56.7953 29.4001 177.9995 159 D 4.4176 8.1631 121.2822 57.7692 40.2958 178.9994 160 A 4.0715 8.1110 119.0075 54.0634 18.5162 177.2016 161 Y 4.4881 8.3146 112.2452 57.4350 38.7955 176.1023 162 K 4.2417 7.8842 125.5606 56.4976 32.4734 175.8877 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.53 4.72 0.00 0.51 0.63 0.00 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 2 N 7.47 4.69 0.00 2.96 2.85 0.00 0.00 5.72 6.96 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 3 I 9.05 3.52 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.29 0.00 0.00 4 F 7.62 4.07 0.00 3.18 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 5 E 8.11 4.03 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 6 M 7.75 3.57 0.00 1.96 1.55 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.20 0.00 7 L 7.95 3.95 0.00 1.94 1.47 0.37 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.03 3.55 0.00 1.92 2.12 0.00 2.96 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 9 I 7.34 3.70 2.23 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 1.05 0.00 0.00 10 D 8.12 4.55 0.00 2.72 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 11 E 8.78 4.43 0.00 1.78 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 2.31 2.31 0.00 12 G 8.48 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.08 4.79 0.00 1.43 1.43 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.92 4.68 0.00 1.76 1.77 0.00 3.15 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 15 L 8.65 4.63 0.00 1.59 1.86 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.72 5.05 0.00 1.73 1.67 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.61 7.81 17 I 8.43 4.08 1.90 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 1.17 0.86 1.01 0.00 0.00 18 Y 9.58 4.93 0.00 3.02 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 19 K 7.45 4.62 0.00 1.44 1.29 0.00 1.45 0.00 0.00 1.09 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 0.95 7.81 20 D 8.88 4.86 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.48 3.88 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 1.26 0.00 0.00 22 E 8.29 4.27 0.00 2.16 2.23 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 2.30 2.26 0.00 23 G 8.26 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.64 4.32 0.00 3.21 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 25 Y 8.46 4.88 0.00 3.07 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 26 T 9.66 5.30 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 1.49 0.00 0.00 27 I 8.99 4.45 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 1.00 0.00 0.00 28 G 9.22 3.85 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 0.00 0.00 0.00 29 I 7.70 4.62 1.23 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.39 -0.10 0.00 0.00 30 G 8.38 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 31 H 8.32 4.42 0.00 3.37 3.52 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.08 5.21 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 33 A 8.79 4.77 1.19 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 0.00 0.00 *38 S 8.62 4.30 0.00 3.96 4.08 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 39 L 8.48 3.01 0.00 1.43 1.54 0.24 0.46 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 40 N 8.09 4.28 0.00 2.74 2.82 0.00 0.00 7.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.89 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.95 3.97 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 43 K 8.33 3.89 0.00 1.71 1.83 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.46 7.81 44 S 8.11 4.09 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.30 3.93 0.00 2.18 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 2.35 2.50 0.00 46 L 8.16 3.99 0.00 1.92 1.83 0.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.53 4.67 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.85 4.00 0.00 1.79 2.02 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 49 A 7.85 4.14 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 50 I 8.11 3.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.91 0.00 0.00 51 G 9.71 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 52 R 7.40 4.34 0.00 1.95 2.00 0.00 2.96 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 53 N 8.53 4.93 0.00 2.70 2.81 0.00 0.00 6.99 7.70 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 54 T 9.15 4.07 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 55 N 9.22 3.96 0.00 2.80 2.88 0.00 0.00 7.05 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.28 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.83 5.03 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 0.75 0.00 0.00 0.99 0.00 0.00 58 I 8.65 4.90 2.01 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 1.44 0.68 0.92 0.00 0.00 59 T 8.81 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 60 K 8.65 3.92 0.00 1.84 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 61 D 8.07 4.36 0.00 2.76 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 62 E 8.40 4.01 0.00 2.19 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 2.33 2.33 0.00 63 A 8.21 4.06 1.41 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 0.00 0.00 64 E 8.51 4.10 0.00 2.17 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 2.39 2.58 0.00 65 K 8.26 3.98 0.00 1.81 2.01 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 66 L 8.13 4.20 0.00 2.08 1.78 0.78 0.64 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 67 F 8.65 4.66 0.00 3.16 3.39 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 68 N 8.71 4.41 0.00 2.96 2.85 0.00 0.00 7.08 7.16 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 69 Q 8.27 4.05 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.78 0.00 70 D 8.64 4.40 0.00 3.19 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.33 3.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.36 0.00 0.00 72 D 8.27 4.29 0.00 2.89 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 73 A 8.26 3.96 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 74 A 7.95 3.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.91 3.31 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 0.91 0.00 0.00 0.90 0.00 0.00 76 R 8.38 4.02 0.00 1.91 1.93 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 77 G 7.98 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 0.00 0.00 0.00 0.00 78 I 7.61 3.79 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.58 0.00 0.00 79 L 7.58 4.02 0.00 1.56 1.70 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.77 4.36 0.00 1.77 1.95 0.00 3.12 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 81 N 7.53 4.78 0.00 2.81 2.78 0.00 0.00 7.01 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 82 A 8.73 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.06 4.15 0.00 1.89 1.89 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 84 L 8.45 4.23 0.00 1.82 1.71 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.16 3.88 0.00 2.05 1.85 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.55 7.81 86 P 0.00 4.29 0.00 2.22 2.11 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 87 V 7.70 3.60 2.30 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 0.90 0.00 0.00 1.01 0.00 0.00 88 Y 8.29 4.26 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 89 D 8.40 4.36 0.00 2.85 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 90 S 7.89 4.28 0.00 4.13 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 91 L 6.82 4.34 0.00 1.72 1.60 1.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.26 4.60 0.00 2.84 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 93 A 8.33 3.88 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 94 V 7.45 2.91 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.36 0.00 0.00 95 R 7.89 3.64 0.00 1.85 2.02 0.00 2.39 0.00 0.00 2.57 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 96 R 7.96 3.90 0.00 1.88 1.85 0.00 2.79 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.47 0.00 97 A 7.67 3.97 1.47 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 0.00 0.00 98 A 7.35 3.62 0.08 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 0.00 0.00 99 L 7.75 4.18 0.00 2.11 2.06 1.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.10 3.73 2.00 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 1.38 0.66 0.88 0.00 0.00 101 N 8.40 4.27 0.00 2.89 3.01 0.00 0.00 7.22 8.35 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 0.00 102 M 8.07 3.96 0.00 1.68 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.07 0.00 103 V 7.92 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 104 F 8.52 3.94 0.00 3.19 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 0.00 105 Q 8.29 4.27 0.00 2.33 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 106 M 8.42 4.55 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 107 G 7.79 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.33 3.51 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 1.13 0.00 0.00 0.91 0.00 0.00 109 T 7.95 3.96 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 0.00 110 G 8.10 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 0.00 0.00 0.00 111 V 7.67 3.52 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 0.85 0.00 0.00 0.76 0.00 0.00 112 A 8.27 4.20 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 0.00 113 G 7.73 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 0.00 0.00 0.00 114 F 8.32 4.34 0.00 3.14 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 0.00 115 T 7.80 3.89 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 1.20 0.00 0.00 116 N 8.10 4.31 0.00 2.73 2.87 0.00 0.00 6.99 7.57 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 0.00 117 S 8.11 4.12 0.00 4.11 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 0.00 118 L 8.31 3.95 0.00 1.83 1.73 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.10 3.93 0.00 2.00 1.94 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 120 M 8.23 4.00 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 121 L 8.15 4.01 0.00 1.83 1.87 0.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.00 4.03 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 123 Q 7.42 4.20 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 124 K 6.97 2.00 0.00 1.43 1.14 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 1.17 7.81 125 R 7.08 4.01 0.00 1.65 1.74 0.00 3.04 0.00 0.00 3.06 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 126 W 7.15 4.66 0.00 3.37 3.26 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 0.00 127 D 8.22 4.45 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.18 3.97 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 129 A 8.30 3.95 1.41 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 0.00 0.00 130 A 8.31 4.04 1.49 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 0.00 0.00 0.00 131 V 7.67 3.52 2.24 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 0.86 0.00 0.00 0.99 0.00 0.00 132 N 8.16 4.52 0.00 2.98 2.91 0.00 0.00 7.08 6.74 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 0.00 133 L 8.23 4.43 0.00 1.96 2.20 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.80 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.39 4.27 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.47 7.81 136 S 7.33 4.77 0.00 4.30 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.68 4.09 0.00 1.99 2.12 0.00 3.17 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 138 W 8.56 4.43 0.00 3.59 3.65 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 0.00 139 Y 8.38 3.32 0.00 3.05 3.17 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 0.00 140 N 8.09 4.35 0.00 2.85 2.92 0.00 0.00 7.08 7.19 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 0.00 141 Q 8.05 4.19 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 142 T 7.48 4.53 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 143 P 0.00 3.45 0.00 1.82 1.79 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 144 N 7.78 4.14 0.00 2.68 2.80 0.00 0.00 6.77 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 0.00 145 R 7.73 3.81 0.00 1.87 1.87 0.00 3.28 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 146 A 7.66 3.61 0.21 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 0.00 147 K 8.14 4.05 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.57 7.81 148 R 7.76 3.79 0.00 1.90 1.39 0.00 2.21 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 0.00 149 V 8.10 3.74 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 1.27 0.00 0.00 1.24 0.00 0.00 150 I 8.65 4.17 2.10 0.00 0.00 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 1.92 1.07 1.07 0.00 0.00 151 T 8.40 3.95 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 T 7.95 3.89 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 0.82 0.00 0.00 153 F 8.03 4.20 0.00 3.30 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 0.00 154 R 8.37 4.17 0.00 1.99 2.13 0.00 3.30 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 155 T 8.03 4.20 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 156 G 7.78 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 0.00 0.00 0.00 157 T 7.22 4.37 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 1.15 0.00 0.00 158 W 8.34 4.92 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 0.00 159 D 8.16 4.42 0.00 2.83 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 0.00 160 A 8.11 4.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.31 4.49 0.00 3.22 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 0.00 162 K 7.88 4.24 0.00 1.74 1.72 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.64 7.81 * Residues marked with a * may have inaccurate shift predictions.