NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5538 8.2185 120.1947 53.7530 42.3894 176.0034 3 A 3.8570 8.9157 129.4810 55.0567 18.4601 177.4168 4 R 4.1928 9.2904 116.1558 59.2892 31.2954 176.0445 5 Q 4.6159 8.0766 116.8060 56.2270 29.4832 175.8487 6 F 5.0212 8.8155 117.1009 56.2837 42.3128 172.3831 7 L 5.2112 8.8564 117.9884 53.0871 44.7727 176.0216 8 I 4.7166 8.3853 123.8478 60.5921 38.5378 173.8053 9 Y 5.3466 9.4936 129.5733 55.8071 41.6813 173.7340 10 N 4.3327 8.3353 125.3842 51.5009 40.2021 174.6482 11 E 3.5415 8.5592 127.7133 59.3297 30.0839 177.2535 12 D 4.4977 8.1037 116.2511 57.6956 41.1558 176.9933 13 H 4.3916 8.4375 113.5430 55.8316 29.2941 175.2423 14 K 3.9389 7.6463 117.8144 57.6307 29.8982 174.8885 15 R 4.9573 7.3334 114.8185 54.7810 35.2384 175.8771 16 C 5.6940 8.8593 117.6916 54.8331 43.9796 173.9184 17 V 4.0733 8.5384 122.2100 63.3010 32.0434 174.9428 18 D 4.8689 9.4114 126.6601 52.3949 44.2237 174.0254 19 A 4.5821 9.0021 129.2505 51.5811 18.5215 176.7797 20 L 4.3370 8.7556 123.9407 56.7620 42.9183 176.6995 21 S 3.7193 6.8769 110.3639 57.1193 65.1884 176.0838 22 A 3.6588 7.8898 122.7012 54.2457 18.0366 178.8741 23 I 4.1612 7.0074 107.3383 60.1585 37.9575 175.5350 24 S 4.4487 7.9001 116.9374 57.7563 65.3493 173.1473 25 V 4.6541 9.3404 128.5089 61.2946 33.7923 172.9196 26 Q 5.1822 9.3553 132.0091 54.8071 32.5470 174.6777 27 T 5.0310 8.0479 114.4387 61.4293 72.5674 172.8295 28 A 4.4710 8.5146 122.2215 51.0866 23.4009 175.7921 29 T 4.1541 8.4455 116.1813 63.7703 69.0277 175.7601 30 C 4.3120 8.7170 123.6792 57.1908 41.0473 173.3066 31 N 4.7187 9.2673 123.5161 51.6280 39.9054 173.1007 32 P 4.4450 0.0000 0.0000 64.7613 31.4728 177.0035 33 E 4.1294 8.6890 117.8737 56.8669 30.0915 175.9687 34 A 4.2962 7.8881 123.6046 50.8154 18.8814 177.7391 35 E 3.8297 8.8916 123.6492 60.0086 29.7946 179.9014 36 S 4.0263 7.9577 112.1807 60.3640 63.0694 175.1348 37 Q 4.5847 7.8532 118.8969 55.7687 29.3971 175.3689 38 K 4.4853 7.5874 119.4829 55.4484 33.7028 175.9708 39 F 5.1487 8.5177 122.2119 55.9539 44.0298 173.7043 40 R 4.9830 8.3817 114.7601 54.8580 32.8221 174.4891 41 W 4.8168 9.3112 122.1810 57.0385 29.6883 176.4803 42 V 4.6162 8.6278 115.8891 60.7770 32.3311 175.0504 43 S 4.6283 7.9404 113.1284 58.0614 64.9060 175.4813 44 D 4.6478 9.0014 119.6848 56.8973 40.6457 177.2260 45 S 5.3602 8.6079 110.6470 57.6839 65.3101 173.5102 46 Q 5.2922 8.6920 119.8806 54.4100 32.2137 174.2150 47 I 4.6917 8.3273 122.6513 59.5971 40.4180 173.9174 48 M 5.0929 9.1592 126.8849 53.6131 34.9542 174.6584 49 S 4.1212 9.4921 121.8055 58.0747 63.0260 174.8019 50 V 3.4607 8.2272 128.3848 66.2005 31.2507 177.2707 51 A 3.8464 7.8716 121.8892 54.7718 18.2472 178.0732 52 F 4.4382 7.8679 111.3046 56.7132 39.7600 176.0237 53 K 3.9524 8.1709 119.1194 57.5840 30.0050 174.8174 54 L 5.0424 7.6917 115.5131 53.2831 46.6043 176.4211 55 C 5.4205 9.1897 118.2795 55.2688 42.6464 173.5612 56 L 4.7964 8.7166 123.6653 55.3890 42.0445 176.7175 57 G 4.4177 9.4729 109.9715 46.0640 0.0000 171.8307 58 V 5.3325 8.4875 112.8028 58.7415 35.0668 175.0529 59 P 4.2136 0.0000 0.0000 65.6918 31.5611 176.5062 60 S 4.7064 7.3673 109.8031 57.4592 65.3435 175.5620 61 K 4.3488 8.6312 122.3722 55.5147 30.4776 176.2923 62 T 4.6836 7.3835 117.0872 60.8817 72.3855 173.4473 63 D 4.6387 8.7441 124.4411 55.9017 41.5141 175.9355 64 W 3.8464 9.5243 134.9341 58.0521 30.0220 173.5087 65 A 4.3423 7.9444 118.7718 51.4079 19.0023 178.0793 66 S 4.5153 8.5609 117.4970 58.3600 64.0883 174.1172 67 V 4.5547 8.2958 124.6362 61.9981 31.9343 174.3182 68 T 4.7057 8.8466 123.1784 60.8197 72.1781 172.0938 69 L 5.3368 8.0793 120.6049 53.6339 44.1392 175.8478 70 Y 4.8457 9.2610 119.7107 55.5324 42.7646 174.6517 71 A 4.4051 8.8110 123.1644 52.2871 19.0174 178.4562 72 C 4.2542 8.9589 120.5940 57.4191 39.6276 173.2654 73 D 4.5868 8.6623 123.8152 52.6795 42.3667 175.6809 74 S 4.3427 8.7988 122.3106 60.4166 63.1149 175.3540 75 K 4.2131 8.4773 120.0559 57.4798 32.4313 176.9748 76 S 4.3954 7.8376 114.3360 57.9433 62.4892 173.6710 77 E 4.1453 8.5523 125.4889 57.5066 30.0221 177.0047 78 Y 4.1230 7.5919 116.5188 58.5456 38.0169 175.8237 79 Q 4.9217 7.4624 117.1992 55.7243 30.0646 174.8061 80 K 4.8450 7.7418 118.9877 55.3405 34.3634 175.4652 81 W 5.3401 9.5177 124.5625 55.0831 32.9616 174.2495 82 E 4.9115 8.6175 117.5845 55.6898 32.8255 173.2364 83 C 5.2253 8.8073 118.3920 55.5773 41.3307 173.9483 84 K 4.4807 9.4984 129.1514 56.6710 30.9713 176.5136 85 N 4.9098 8.7341 123.0864 53.1483 39.6421 174.2968 86 D 4.5178 9.5447 117.2896 55.9486 38.5751 174.4751 87 T 3.5353 7.9997 104.0194 62.0620 67.9646 171.0607 88 L 4.7083 7.9955 125.2507 55.5780 43.3922 175.4836 89 F 5.2904 9.3246 127.7741 56.9067 43.1142 174.0014 90 G 4.4807 7.9018 110.6739 45.7711 0.0000 171.8784 91 I 3.7718 7.9889 121.1174 60.4312 37.9411 176.5197 92 K 4.1014 8.1716 128.6414 58.0112 32.3480 177.2407 93 G 3.9078 9.5763 114.2382 45.7672 0.0000 172.9435 94 T 4.6430 7.3450 107.8485 59.8893 71.8843 173.1908 95 E 4.2828 8.3075 119.3860 56.6350 30.2022 176.2199 96 L 4.6787 7.2698 118.0116 53.0957 44.8463 176.0641 97 Y 5.4808 9.0654 121.0212 55.8261 41.8002 174.9168 98 F 4.7329 9.8774 125.2623 58.8365 40.4244 173.6179 99 N 6.3000 9.3132 124.3936 51.6687 42.9108 172.2510 100 Y 4.9542 8.8634 123.8100 57.3690 41.7781 174.1277 101 G 2.1838 7.5441 112.9149 44.9684 0.0000 173.8271 102 N 4.8259 7.9565 117.5936 53.0987 39.9419 174.7177 103 R 3.8774 9.3200 116.7787 58.1411 27.9020 176.2217 104 Q 3.3225 8.1763 110.6644 56.5747 26.6734 173.4633 105 E 4.3297 8.0833 118.7570 55.1949 29.7524 176.5679 106 K 4.2543 8.6661 126.7387 59.1888 32.6010 177.1695 107 N 4.6211 7.9131 116.0609 52.7120 39.7300 174.5067 108 I 3.8645 8.2027 125.0840 61.5517 38.1968 175.3333 109 K 4.8481 8.8331 124.7839 54.3376 36.6055 175.1705 110 L 5.0637 8.5251 122.1416 54.6493 43.2556 175.5392 111 Y 5.8563 9.3583 123.7840 56.0862 42.2663 176.0466 112 K 4.3972 8.2514 124.0869 58.7336 33.3668 178.0250 113 G 3.6884 6.4449 109.1105 45.5426 0.0000 173.4740 114 S 4.4053 8.4481 118.1823 57.6185 64.0851 175.2157 115 G 3.9026 7.7858 112.7460 46.0158 0.0000 174.8130 116 L 4.0653 8.3136 118.5816 57.0611 42.0159 177.9165 117 W 4.7604 8.1069 117.1572 57.5032 29.7721 177.2256 118 S 6.1363 8.3369 113.8109 57.5319 63.0306 173.2130 119 R 5.3324 7.8047 119.5892 54.2990 32.0009 175.2996 120 W 5.4518 9.2413 121.5217 55.0879 33.4257 174.4277 121 K 4.9937 9.3349 121.4528 54.2728 36.5466 175.4936 122 V 4.2890 8.2964 122.1319 62.5766 32.4153 175.0495 123 Y 4.2730 9.1730 130.0509 59.5554 39.0051 176.4964 124 G 3.5910 9.0008 114.5723 45.3765 0.0000 172.2065 125 T 4.6275 7.3618 108.1129 60.7861 71.8181 173.5090 126 T 4.6420 8.3165 109.3274 61.6131 69.3675 173.3719 127 D 4.8932 7.8894 121.5413 53.1801 43.2565 176.0955 128 D 5.1829 8.2170 120.8954 52.6581 40.8196 177.2745 129 L 3.8529 8.4746 118.4788 57.9740 41.4492 179.9326 130 C 4.1119 8.1938 114.6833 58.3918 39.8414 175.5232 131 S 3.9655 7.8462 115.3993 60.0216 62.8155 175.4003 132 R 4.4621 7.5527 119.9484 57.3039 30.9023 176.4574 133 G 3.2014 7.2845 108.7073 44.8042 0.0000 172.2619 134 Y 4.5296 7.3972 119.7740 56.7168 40.9701 175.5240 135 E 4.0988 8.7111 119.2671 57.1376 29.4705 174.7571 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 D 8.22 4.55 0.00 2.72 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 3 A 8.92 3.86 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 4 R 9.29 4.19 0.00 2.00 2.15 0.00 3.34 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 5 Q 8.08 4.62 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 6 F 8.82 5.02 0.00 3.17 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 7 L 8.86 5.21 0.00 1.83 1.64 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.39 4.72 1.57 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.50 0.00 0.00 9 Y 9.49 5.35 0.00 3.28 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 10 N 8.34 4.33 0.00 1.44 2.04 0.00 0.00 6.57 8.39 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 11 E 8.56 3.54 0.00 1.98 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 2.48 0.00 12 D 8.10 4.50 0.00 2.72 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 13 H 8.44 4.39 0.00 3.05 3.35 0.00 6.06 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.65 3.94 0.00 1.99 2.06 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 15 R 7.33 4.96 0.00 1.63 1.66 0.00 3.12 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 16 C 8.86 5.69 0.00 2.87 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 17 V 8.54 4.07 1.82 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 0.47 0.00 0.00 0.61 0.00 0.00 18 D 9.41 4.87 0.00 2.71 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.00 4.58 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 20 L 8.76 4.34 0.00 1.67 1.71 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 S 6.88 3.72 0.00 3.79 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 22 A 7.89 3.66 1.13 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 23 I 7.01 4.16 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.77 0.00 0.00 24 S 7.90 4.45 0.00 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.34 4.65 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 0.94 0.00 0.00 0.86 0.00 0.00 26 Q 9.36 5.18 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.41 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 27 T 8.05 5.03 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 28 A 8.51 4.47 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 29 T 8.45 4.15 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 1.23 0.00 0.00 30 C 8.72 4.31 0.00 2.64 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 0.00 0.00 0.00 31 N 9.27 4.72 0.00 2.61 2.60 0.00 0.00 6.69 8.18 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 32 P 0.00 4.44 0.00 2.28 2.31 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 33 E 8.69 4.13 0.00 2.14 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 2.29 2.25 0.00 34 A 7.89 4.30 1.26 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 35 E 8.89 3.83 0.00 1.86 1.85 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 2.31 2.15 0.00 36 S 7.96 4.03 0.00 4.29 4.07 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 37 Q 7.85 4.58 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.27 0.00 38 K 7.59 4.49 0.00 1.57 1.53 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.50 7.81 39 F 8.52 5.15 0.00 2.06 2.36 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 40 R 8.38 4.98 0.00 1.99 1.98 0.00 2.77 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 41 W 9.31 4.82 0.00 3.14 3.37 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 42 V 8.63 4.62 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 0.91 0.00 0.00 1.09 0.00 0.00 43 S 7.94 4.63 0.00 4.01 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 44 D 9.00 4.65 0.00 2.76 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 45 S 8.61 5.36 0.00 4.04 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 0.00 46 Q 8.69 5.29 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 47 I 8.33 4.69 1.36 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.52 0.00 0.00 48 M 9.16 5.09 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 49 S 9.49 4.12 0.00 3.96 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 50 V 8.23 3.46 1.92 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 0.69 0.00 0.00 0.76 0.00 0.00 51 A 7.87 3.85 0.89 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 52 F 7.87 4.44 0.00 3.02 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 53 K 8.17 3.95 0.00 1.92 1.91 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.52 7.81 54 L 7.69 5.04 0.00 1.59 1.70 0.88 0.94 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 55 C 9.19 5.42 0.00 2.97 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.72 4.80 0.00 1.52 1.70 0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.47 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 0.00 0.00 0.00 0.00 58 V 8.49 5.33 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 1.02 0.00 0.00 59 P 0.00 4.21 0.00 2.15 2.24 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 60 S 7.37 4.71 0.00 4.02 3.77 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 61 K 8.63 4.35 0.00 1.72 1.72 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.21 7.81 62 T 7.38 4.68 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 63 D 8.74 4.64 0.00 2.69 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 64 W 9.52 3.85 0.00 3.57 3.29 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 65 A 7.94 4.34 1.40 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 0.00 0.00 0.00 66 S 8.56 4.52 0.00 3.72 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 0.00 67 V 8.30 4.55 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 1.07 0.00 0.00 1.05 0.00 0.00 68 T 8.85 4.71 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 1.13 0.00 0.00 69 L 8.08 5.34 0.00 1.40 1.52 0.57 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.26 4.85 0.00 2.92 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 71 A 8.81 4.41 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 72 C 8.96 4.25 0.00 3.04 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 73 D 8.66 4.59 0.00 2.69 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 74 S 8.80 4.34 0.00 4.05 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 75 K 8.48 4.21 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 76 S 7.84 4.40 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.55 4.15 0.00 1.73 1.48 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 0.00 2.17 2.19 0.00 78 Y 7.59 4.12 0.00 2.84 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 79 Q 7.46 4.92 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 80 K 7.74 4.85 0.00 1.53 1.71 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.47 7.81 81 W 9.52 5.34 0.00 3.22 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 82 E 8.62 4.91 0.00 2.05 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 2.15 2.30 0.00 83 C 8.81 5.23 0.00 3.01 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 84 K 9.50 4.48 0.00 1.90 1.70 0.00 1.96 0.00 0.00 2.02 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.76 1.92 7.81 85 N 8.73 4.91 0.00 2.89 2.96 0.00 0.00 6.14 8.07 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 86 D 9.54 4.52 0.00 2.82 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 87 T 8.00 3.54 4.62 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 1.28 0.00 0.00 88 L 8.00 4.71 0.00 2.02 1.73 0.68 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 89 F 9.32 5.29 0.00 3.36 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.90 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.99 3.77 1.59 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 0.67 0.93 0.57 0.00 0.00 92 K 8.17 4.10 0.00 1.63 1.58 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.38 7.81 93 G 9.58 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 94 T 7.35 4.64 4.11 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 1.06 0.00 0.00 95 E 8.31 4.28 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 96 L 7.27 4.68 0.00 1.43 1.52 0.91 0.81 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 97 Y 9.07 5.48 0.00 3.23 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 98 F 9.88 4.73 0.00 3.37 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 99 N 9.31 6.30 0.00 3.31 3.05 0.00 0.00 6.46 8.26 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 0.00 100 Y 8.86 4.95 0.00 2.90 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 0.00 101 G 7.54 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 0.00 0.00 0.00 102 N 7.96 4.83 0.00 2.87 2.64 0.00 0.00 7.37 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 0.00 103 R 9.32 3.88 0.00 2.06 2.01 0.00 3.46 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.00 104 Q 8.18 3.32 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 105 E 8.08 4.33 0.00 2.16 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 1.82 2.33 0.00 106 K 8.67 4.25 0.00 1.86 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.44 7.81 107 N 7.91 4.62 0.00 2.63 2.59 0.00 0.00 7.26 7.84 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 0.00 108 I 8.20 3.86 1.44 0.00 0.00 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 1.10 0.08 -0.37 0.00 0.00 109 K 8.83 4.85 0.00 1.11 1.10 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.21 7.81 110 L 8.53 5.06 0.00 1.75 1.72 0.93 0.78 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 0.00 111 Y 9.36 5.86 0.00 3.28 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 0.00 112 K 8.25 4.40 0.00 1.80 1.85 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.00 1.01 7.81 113 G 6.44 3.69 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 0.00 0.00 0.00 114 S 8.45 4.41 0.00 3.57 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 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 0.00 116 L 8.31 4.07 0.00 1.51 1.75 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.11 4.76 0.00 3.48 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 0.00 118 S 8.34 6.14 0.00 3.99 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 0.00 119 R 7.80 5.33 0.00 1.74 1.86 0.00 3.15 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 120 W 9.24 5.45 0.00 2.94 3.06 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 0.00 121 K 9.33 4.99 0.00 1.93 1.85 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.46 7.81 122 V 8.30 4.29 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 0.93 0.00 0.00 0.64 0.00 0.00 123 Y 9.17 4.27 0.00 3.03 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 0.00 124 G 9.00 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 0.00 125 T 7.36 4.63 4.21 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 1.17 0.00 0.00 126 T 8.32 4.64 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 1.24 0.00 0.00 127 D 7.89 4.89 0.00 2.71 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 0.00 128 D 8.22 5.18 0.00 3.04 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 0.00 129 L 8.47 3.85 0.00 1.64 1.69 -0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.19 4.11 0.00 3.10 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 0.00 131 S 7.85 3.97 0.00 3.99 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 0.00 132 R 7.55 4.46 0.00 1.25 1.79 0.00 3.43 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 133 G 7.28 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 0.00 0.00 0.00 134 Y 7.40 4.53 0.00 3.04 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 0.00 135 E 8.71 4.10 0.00 2.06 1.92 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 2.20 2.55 0.00