NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 4.5149 7.9876 121.6909 57.4716 40.1527 175.7619 5 T 3.9976 8.4776 114.0450 64.1579 68.7868 175.3366 6 D 4.3472 9.8420 123.1684 57.1951 41.2722 179.6963 7 K 3.9594 8.0642 118.5614 59.5604 32.1441 178.5398 8 Y 4.1280 7.9604 119.7079 60.8775 38.6626 177.8441 9 D 4.9339 8.2803 121.0893 57.0436 40.8960 178.6138 10 N 4.2845 8.4300 117.4202 56.2575 38.5472 177.5497 11 I 3.8852 7.8614 114.4843 63.8755 37.6739 178.0939 12 N 4.1477 7.9969 118.3788 55.9573 38.2181 177.3844 13 L 3.7754 8.0931 120.8539 57.6346 41.4364 179.0819 14 D 4.2929 8.1348 118.9715 57.4845 40.7512 178.8732 15 E 3.9221 7.9898 118.8495 59.4239 29.2439 179.4193 16 I 3.6230 7.5391 118.7873 64.3795 37.2691 178.1629 17 L 3.9832 7.9340 117.5002 56.3491 41.5829 178.1952 18 A 4.6210 7.3799 119.4865 51.2820 20.0155 176.0304 19 N 4.7262 7.7029 116.5152 51.4526 39.9406 174.7649 20 K 3.8852 8.7672 127.8163 59.9235 32.0794 178.5514 21 R 3.9301 8.4300 118.2961 59.1970 29.8844 179.0333 22 L 4.0538 8.0033 118.4086 57.4238 41.6458 179.0483 23 L 4.0164 8.0603 120.4412 58.1542 41.9809 179.2084 24 V 3.5890 8.1076 118.1600 66.0036 31.4891 177.8325 25 A 4.0009 8.0624 120.5661 55.2210 18.1539 179.0502 26 Y 4.1710 8.4429 118.4337 60.9230 38.9245 178.2130 27 V 3.3692 8.1483 119.5499 66.1362 31.5130 177.7148 28 N 4.3783 8.4532 116.4237 56.2475 38.3082 176.6375 29 C 4.4858 8.0491 121.2493 59.2916 43.6059 175.7977 30 V 3.4193 7.5850 118.7668 66.0478 31.1367 177.0395 31 M 4.2907 8.2758 115.7699 54.6869 32.4927 175.6874 32 E 3.8490 8.1595 118.0170 57.6535 27.3728 174.9265 33 R 4.6577 8.2889 110.1279 55.2937 30.7378 174.6824 34 G 4.0446 7.4942 105.1927 45.3848 0.0000 173.6233 35 K 4.3089 8.5285 119.1935 56.2206 32.7541 177.4444 36 C 4.9750 8.4507 119.1457 55.0790 42.1869 175.0393 37 S 4.5369 8.3989 119.4427 57.0890 65.2875 173.5013 38 P 4.2552 0.0000 0.0000 65.6637 31.0950 178.6550 39 E 4.1747 8.3112 117.9895 59.0331 29.6169 178.8196 40 G 3.7506 8.4058 106.1479 47.7327 0.0000 175.5604 41 K 4.0088 8.4656 122.4794 59.0644 31.6731 178.5535 42 E 3.9063 8.2249 119.5736 59.4340 29.6019 178.8649 43 L 4.1229 8.2913 119.3569 57.5881 41.5892 179.3898 44 K 3.9120 8.6969 120.1932 59.4225 32.1085 178.2602 45 E 3.8270 8.1683 119.5719 59.8131 29.3895 178.5986 46 H 4.3714 7.7056 114.8558 58.3468 28.8679 177.5589 47 L 3.9199 8.1813 122.6143 58.0040 41.8860 178.7822 48 Q 3.4489 8.2940 120.0872 58.9568 28.8353 177.6580 49 D 4.2293 8.0477 118.9417 57.0500 41.0923 178.0504 50 A 3.9866 8.1318 121.5284 55.3629 18.2051 179.7268 51 I 4.0445 7.5383 116.9210 64.2647 37.3414 177.9141 52 E 4.5831 8.3124 121.1078 57.7167 29.5679 176.8891 53 N 4.8354 7.2171 112.5046 52.1463 40.2696 174.8671 54 G 2.1127 6.6517 105.4084 45.5819 0.0000 173.3672 55 C 4.0718 7.8513 114.4693 56.8683 38.1691 175.5445 56 K 3.6737 7.3086 122.3509 59.3303 31.8618 177.1675 57 K 4.4823 8.4058 114.6389 56.1557 32.3513 175.7296 58 C 4.4706 7.8175 117.6228 56.5795 42.0826 174.3993 59 T 4.2554 8.0409 114.1222 60.7536 71.0061 175.3864 60 E 3.8789 8.5320 120.5724 59.6006 29.6009 178.1128 61 N 4.3044 8.0192 116.4691 56.6873 39.0419 176.7415 62 Q 3.9632 7.9734 119.4940 58.7033 28.6637 178.2063 63 E 3.9620 8.3372 120.5124 59.1057 29.7007 178.9585 64 K 4.1128 8.2418 118.7712 59.4583 31.6975 179.5487 65 G 3.5793 8.2492 105.7477 47.6851 0.0000 175.6347 66 A 4.0255 8.1686 123.2765 55.1469 18.3775 179.1796 67 Y 3.7734 8.3354 118.1373 60.5197 38.8421 178.2070 68 R 3.7835 8.0231 119.3939 59.1673 30.0486 179.1569 69 V 3.5581 7.4054 117.3825 65.7527 31.4810 177.9510 70 I 3.4226 7.6123 119.8099 64.4826 36.9050 178.0190 71 E 3.4332 7.4641 120.1563 59.1554 29.2402 178.2144 72 H 3.9424 7.7630 117.8583 59.2330 29.8266 177.3280 73 L 4.0111 8.1278 121.0757 57.8470 41.2516 179.5329 74 I 3.4292 7.3267 119.0347 63.9451 36.9606 178.0631 75 K 4.0483 7.8769 119.7395 58.6171 32.2244 177.7206 76 N 4.8708 8.2152 114.2576 52.8644 41.6067 174.7688 77 E 4.7561 8.2871 119.7848 53.8228 30.5921 176.0753 78 I 3.8417 7.8137 121.1110 64.4892 38.4559 176.4679 79 E 4.0268 8.2168 118.8654 59.4551 29.3173 179.2437 80 I 3.7769 7.7703 119.4087 64.0107 37.2536 177.9641 81 W 4.4621 8.4114 129.2677 60.7985 30.5133 178.2306 82 R 3.7313 8.5146 118.2767 59.1952 29.4594 178.9631 83 E 3.9159 8.2288 118.4275 59.2710 29.3728 179.3418 84 L 4.0149 8.2877 119.7580 58.0454 41.6230 179.7179 85 T 3.6981 7.6639 109.4574 64.3956 68.4954 176.7175 86 A 3.8690 7.6310 123.0742 54.5277 18.3834 179.2278 87 K 3.7890 7.6527 117.5102 59.2402 32.2539 177.9208 88 Y 4.7091 8.0058 115.6355 58.1505 39.8684 175.4371 89 D 4.9947 8.3091 120.0869 52.2658 41.5033 174.4128 90 P 4.3451 0.0000 0.0000 65.8960 32.0658 178.4610 91 T 3.8428 7.9043 115.4043 64.8331 68.6090 175.5187 92 G 3.9972 8.4991 108.3702 45.9413 0.0000 174.9125 93 N 4.1815 7.8828 118.3177 55.8071 38.5086 177.2508 94 W 4.2542 7.9671 119.9654 59.4276 29.2783 178.2420 95 R 4.4337 8.7850 119.0215 59.7125 29.4468 178.4072 96 K 4.0205 8.3556 119.2745 59.3847 32.2562 178.4836 97 K 3.8404 7.9308 119.6871 59.9234 31.9942 178.3816 98 Y 4.4467 7.9938 116.8340 61.1044 37.7720 178.0240 99 E 4.0552 8.9793 120.0946 59.5259 29.5999 179.0857 100 D 4.3755 8.6745 119.4812 57.2886 40.6123 178.8602 101 R 3.8927 7.7971 118.1460 59.3307 30.4004 178.1146 102 A 4.2352 8.4027 120.7882 55.1671 18.2827 179.7727 103 K 4.2652 8.7142 118.4095 59.0189 31.9236 179.3255 104 A 4.0570 8.1252 119.4732 53.9910 18.2883 178.3343 105 A 4.5339 7.6779 118.0600 51.6031 19.2135 177.9155 106 G 3.8641 8.1297 106.5429 46.0078 0.0000 173.9987 107 I 3.9626 7.4197 121.2704 60.4510 37.8595 175.0273 108 V 4.0525 8.2620 125.3109 61.7844 32.2772 174.8793 109 I 4.4451 8.1037 127.6958 58.7729 38.8251 173.8805 110 P 4.4403 0.0000 0.0000 63.0683 32.0408 177.0563 111 E 4.3074 8.5869 115.4213 56.1728 29.8472 177.0330 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 4 Y 7.99 4.51 0.00 3.02 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 5 T 8.48 4.00 4.39 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 1.20 0.00 0.00 6 D 9.84 4.35 0.00 2.09 2.49 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 7 K 8.06 3.96 0.00 2.07 1.92 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.56 7.81 8 Y 7.96 4.13 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 9 D 8.28 4.93 0.00 2.90 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 10 N 8.43 4.28 0.00 2.81 2.82 0.00 0.00 6.82 8.21 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 11 I 7.86 3.89 1.80 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 1.67 0.48 0.91 0.00 0.00 12 N 8.00 4.15 0.00 2.67 2.63 0.00 0.00 6.93 6.23 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 13 L 8.09 3.78 0.00 1.76 1.60 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.13 4.29 0.00 2.83 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 15 E 7.99 3.92 0.00 2.08 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 2.26 2.43 0.00 16 I 7.54 3.62 1.78 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 1.50 0.29 0.81 0.00 0.00 17 L 7.93 3.98 0.00 1.52 1.59 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.38 4.62 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 19 N 7.70 4.73 0.00 2.70 2.80 0.00 0.00 6.67 6.67 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 20 K 8.77 3.89 0.00 1.91 1.81 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.62 7.81 21 R 8.43 3.93 0.00 1.96 1.97 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 22 L 8.00 4.05 0.00 1.79 1.68 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.06 4.02 0.00 1.98 1.84 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.11 3.59 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 1.06 0.00 0.00 1.02 0.00 0.00 25 A 8.06 4.00 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 26 Y 8.44 4.17 0.00 3.02 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 27 V 8.15 3.37 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 0.98 0.00 0.00 0.99 0.00 0.00 28 N 8.45 4.38 0.00 2.96 2.85 0.00 0.00 6.68 8.49 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 29 C 8.05 4.49 0.00 3.25 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 30 V 7.58 3.42 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 0.77 0.00 0.00 0.14 0.00 0.00 31 M 8.28 4.29 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 32 E 8.16 3.85 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 33 R 8.29 4.66 0.00 1.82 1.91 0.00 3.09 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 34 G 7.49 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 35 K 8.53 4.31 0.00 1.76 1.77 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.53 7.81 36 C 8.45 4.97 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.40 4.54 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.26 0.00 2.23 2.17 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 39 E 8.31 4.17 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 40 G 8.41 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 41 K 8.47 4.01 0.00 1.92 2.01 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 42 E 8.22 3.91 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 43 L 8.29 4.12 0.00 1.77 1.72 0.58 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.70 3.91 0.00 1.86 2.09 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.33 7.81 45 E 8.17 3.83 0.00 2.10 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 2.17 2.29 0.00 46 H 7.71 4.37 0.00 3.27 3.32 0.00 5.67 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 47 L 8.18 3.92 0.00 1.83 1.63 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.29 3.45 0.00 1.79 1.96 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 2.13 1.16 0.00 49 D 8.05 4.23 0.00 2.95 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 50 A 8.13 3.99 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 51 I 7.54 4.04 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.75 0.99 0.00 0.00 52 E 8.31 4.58 0.00 2.07 1.96 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 2.40 2.52 0.00 53 N 7.22 4.84 0.00 2.86 2.66 0.00 0.00 7.05 8.44 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 54 G 6.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.85 4.07 0.00 3.08 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 56 K 7.31 3.67 0.00 1.73 1.81 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 K 8.41 4.48 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.37 7.81 58 C 7.82 4.47 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.04 4.26 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 1.22 0.00 0.00 60 E 8.53 3.88 0.00 2.08 1.96 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 2.36 2.40 0.00 61 N 8.02 4.30 0.00 2.74 2.68 0.00 0.00 7.18 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.97 3.96 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 63 E 8.34 3.96 0.00 2.04 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 2.36 2.40 0.00 64 K 8.24 4.11 0.00 2.01 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.47 1.72 7.81 65 G 8.25 3.58 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 0.00 0.00 0.00 66 A 8.17 4.03 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 67 Y 8.34 3.77 0.00 3.12 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 68 R 8.02 3.78 0.00 2.04 1.90 0.00 3.15 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 69 V 7.41 3.56 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 1.25 0.00 0.00 0.92 0.00 0.00 70 I 7.61 3.42 1.42 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.29 0.21 0.00 0.00 71 E 7.46 3.43 0.00 1.16 1.56 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 2.15 2.17 0.00 72 H 7.76 3.94 0.00 3.33 3.39 0.00 5.83 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 73 L 8.13 4.01 0.00 1.84 1.83 1.08 0.98 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 74 I 7.33 3.43 1.47 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.36 0.72 0.00 0.00 75 K 7.88 4.05 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 76 N 8.22 4.87 0.00 2.57 2.74 0.00 0.00 6.82 7.93 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 77 E 8.29 4.76 0.00 1.96 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 2.24 2.43 0.00 78 I 7.81 3.84 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.96 0.00 0.00 79 E 8.22 4.03 0.00 2.13 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 2.42 2.49 0.00 80 I 7.77 3.78 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.63 0.98 0.00 0.00 81 W 8.41 4.46 0.00 3.36 3.32 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 82 R 8.51 3.73 0.00 2.14 1.94 0.00 3.27 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 83 E 8.23 3.92 0.00 2.16 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 2.30 2.55 0.00 84 L 8.29 4.01 0.00 1.74 1.71 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.66 3.70 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 -0.10 0.00 0.00 86 A 7.63 3.87 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 87 K 7.65 3.79 0.00 1.55 1.47 0.00 1.47 0.00 0.00 1.01 0.00 0.00 3.01 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 1.02 7.81 88 Y 8.01 4.71 0.00 3.21 2.91 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 89 D 8.31 4.99 0.00 3.06 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 90 P 0.00 4.35 0.00 2.19 2.27 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 91 T 7.90 3.84 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 92 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 4.18 0.00 2.26 2.34 0.00 0.00 7.10 7.68 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 94 W 7.97 4.25 0.00 3.81 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 95 R 8.78 4.43 0.00 1.90 2.19 0.00 3.33 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 96 K 8.36 4.02 0.00 1.94 1.91 0.00 1.68 0.00 0.00 1.53 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.48 7.81 97 K 7.93 3.84 0.00 1.79 1.71 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.42 7.81 98 Y 7.99 4.45 0.00 3.53 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 E 8.98 4.06 0.00 2.17 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 2.55 3.01 0.00 100 D 8.67 4.38 0.00 2.82 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 0.00 101 R 7.80 3.89 0.00 1.80 2.19 0.00 2.21 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 102 A 8.40 4.24 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 0.00 103 K 8.71 4.27 0.00 1.98 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.46 7.81 104 A 8.13 4.06 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 0.00 105 A 7.68 4.53 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 0.00 106 G 8.13 3.86 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 0.00 107 I 7.42 3.96 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.86 0.00 0.00 108 V 8.26 4.05 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 0.81 0.00 0.00 0.93 0.00 0.00 109 I 8.10 4.45 1.91 0.00 0.00 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 1.41 0.79 0.99 0.00 0.00 110 P 0.00 4.44 0.00 2.07 2.00 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 111 E 8.59 4.31 0.00 1.98 1.70 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 2.16 1.86 0.00