NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5224 8.1927 117.1085 58.1682 64.4970 175.3044 5 D 4.2633 8.7729 120.1368 57.2161 41.9137 175.3683 6 L 4.1096 7.8201 119.6526 57.4259 42.0579 179.2100 7 V 3.6897 7.7772 118.8753 65.1386 31.5141 178.2642 8 T 3.8620 8.0668 116.7825 66.1752 68.0984 176.3873 9 K 3.9062 7.9920 120.0125 59.3992 32.5007 178.1846 10 F 4.3605 8.5787 123.4986 62.1993 39.1327 177.6405 11 E 3.8734 8.7978 116.8575 60.7268 29.5453 180.3134 12 S 4.4611 7.7239 111.4438 58.9717 63.9752 174.2120 13 L 4.2786 7.4043 124.6970 53.4645 42.5693 177.6997 14 I 3.6019 8.1893 122.9304 63.7714 38.4315 177.6640 15 I 3.5525 7.5938 120.4634 63.6588 37.8784 177.4389 16 S 4.0505 7.3521 113.7164 59.8970 62.5971 174.8284 17 K 4.3078 7.8145 119.7543 56.4589 32.5911 176.2793 18 Y 4.2580 7.5583 120.5724 56.7577 40.5021 172.1400 19 P 3.9342 0.0000 0.0000 63.4123 30.1332 177.6820 20 V 4.6602 9.2271 111.1002 59.4459 33.9025 173.3960 21 S 4.5893 8.3855 118.8915 59.1704 61.9301 171.3085 *22 F 4.8899 8.6299 120.2421 53.4335 38.4496 169.7570 *31 A 4.4273 7.9793 123.2407 54.6926 20.5883 179.7732 32 Q 3.8920 7.7803 115.4409 59.8250 28.3482 180.7830 33 W 4.4244 8.1760 122.8054 60.2574 29.0647 178.8538 34 E 4.0847 7.9439 118.4653 61.0175 29.1242 182.4559 35 S 4.2615 8.0683 115.3059 61.4101 63.1272 176.7577 36 V 3.5221 7.7680 124.2487 65.9028 30.7059 178.3323 37 L 4.1014 8.3007 124.5156 60.2816 40.6299 182.1862 38 K 4.2495 8.4151 123.6646 59.0690 31.6537 180.2748 39 S 4.7874 8.0346 112.3199 58.1868 63.2764 175.0877 40 G 3.9501 7.6688 108.7385 46.2988 0.0000 173.9315 41 Q 4.7198 7.7549 117.0186 55.2750 29.5002 177.9500 42 I 3.9560 7.9260 120.1593 64.0532 38.1378 176.4023 43 Q 3.9899 8.0863 120.2924 58.7083 28.8951 176.3705 44 P 4.4277 0.0000 0.0000 65.3128 31.4913 176.7618 45 H 4.7090 7.8406 115.1356 55.8283 28.9906 176.6665 46 L 4.0942 7.9677 123.1470 57.9808 41.4282 179.0239 47 D 4.5163 8.2346 118.4119 57.4437 40.7454 178.4520 48 Q 4.0360 8.1508 119.6168 59.0163 29.1349 177.7155 49 L 3.9408 8.4942 121.6069 58.2827 42.2186 178.4749 50 N 4.3226 8.3688 116.9034 56.6597 38.6678 176.6098 51 L 3.9920 7.8442 120.8413 57.9808 42.3106 178.7124 52 V 3.7403 8.1140 118.5387 66.1032 31.3312 177.8672 53 L 4.1899 7.7104 117.7823 56.0161 41.5262 178.8180 54 R 3.6822 7.4823 118.3181 58.6132 30.0925 176.5786 55 D 4.8099 7.5672 114.8851 53.9061 41.9945 175.8690 56 N 4.9502 7.5720 116.8131 51.3727 42.1978 175.2313 57 T 3.5396 8.6623 120.0047 65.8789 68.9413 174.3781 58 F 5.1448 7.3916 117.8647 55.0849 42.4746 175.9878 59 I 3.3779 8.8299 123.9780 64.3709 36.8333 177.8441 60 V 4.2781 7.6809 116.4893 62.5208 31.4295 175.0830 61 S 3.7993 8.0040 111.7368 59.3984 60.3830 171.8126 62 T 4.5888 7.8526 108.9258 60.0166 70.6276 174.5176 63 L 3.9849 8.2233 121.2997 56.8647 41.8708 177.0981 64 Y 4.7608 7.1808 113.7132 54.9993 41.7811 173.2982 65 P 3.7940 0.0000 0.0000 62.5669 32.1682 175.7272 66 T 4.7268 8.7028 113.2906 59.7703 71.7712 175.6649 67 S 3.6492 8.6164 120.2633 63.9434 61.9427 174.8560 68 T 4.1640 7.5069 118.2952 66.7244 68.1731 176.4754 69 D 4.6101 8.0376 120.7324 57.4003 40.9274 178.9424 70 V 3.5015 7.3512 118.1829 66.3313 31.2671 177.6638 71 H 4.3247 8.4199 116.3322 58.9233 28.5349 178.0641 72 V 3.7619 7.9510 119.9596 65.8991 31.2784 177.7974 73 F 4.2729 8.7000 120.5807 61.3693 38.9461 176.6384 74 E 3.7139 8.2542 117.9320 58.8508 29.7057 178.2966 75 V 3.9240 7.3561 117.4008 64.8347 32.0019 177.8497 76 A 4.0681 8.4049 121.0629 54.8833 18.2589 178.9660 77 L 3.6680 7.6383 119.1068 58.2269 42.0151 177.7596 78 P 4.2203 0.0000 0.0000 64.9882 31.2135 178.5536 79 L 3.8805 7.4524 118.1842 58.3134 42.0537 179.1456 80 I 3.6293 8.1024 120.1708 64.1439 36.9627 178.5827 81 K 3.9928 8.1899 119.5095 59.6559 32.0131 179.0988 82 D 4.4304 8.1529 119.0760 56.9925 40.5460 178.8071 83 L 4.0191 7.9085 119.1147 57.7211 41.8318 179.3360 84 V 3.7117 8.0426 117.9968 66.0534 31.2859 178.0123 85 A 4.1104 7.9970 119.5028 54.1860 18.1952 178.7111 86 S 4.5891 7.4876 109.8529 57.4069 63.8688 174.1870 87 S 4.3669 7.2614 117.0445 58.1111 62.7051 174.6330 88 K 4.0401 8.5506 126.0225 58.9123 32.1863 177.3994 89 D 4.2915 8.0330 117.3603 52.1502 43.7708 175.9030 90 V 3.3661 8.1998 128.8260 64.6945 31.3413 177.9441 91 K 3.7971 7.8301 119.8920 59.3112 32.0538 178.5984 92 S 4.0850 8.2454 115.3246 61.8611 62.4586 177.0025 93 T 3.8442 7.2203 117.3781 66.8316 68.6908 175.9158 94 Y 4.6748 7.9348 118.8133 61.8683 37.7514 179.2483 95 T 3.9789 8.1128 115.1526 66.7938 68.5534 176.5982 96 T 3.9595 7.5727 116.7934 65.1538 68.8496 174.3150 97 Y 5.0283 7.6248 118.7571 56.9629 39.3841 178.0810 98 R 3.9277 8.2752 120.7530 59.9120 30.4255 178.0547 99 H 4.4070 7.8425 115.3200 58.6544 28.8229 177.6208 100 I 3.8941 7.8828 121.2513 64.5611 37.0219 178.2635 101 L 4.1187 8.3672 119.9122 57.6283 41.4770 179.3207 102 R 3.9448 8.1069 118.7995 59.5122 29.9725 178.4402 103 W 4.2836 8.3095 127.4748 60.4115 30.6763 178.1090 104 I 3.7010 8.5651 120.4871 64.3085 36.4240 177.8167 105 D 4.3707 8.3184 118.9659 57.3594 41.0006 177.7142 106 Y 3.8715 7.8519 119.4553 61.0774 38.8641 177.9372 107 M 3.7553 8.1267 120.2556 58.0916 31.7568 178.8523 108 Q 3.9875 8.2332 118.1860 59.1227 28.6383 178.2964 109 N 4.2552 7.6100 117.1797 55.5995 38.4100 177.2150 110 L 3.6934 7.4383 121.3953 58.0084 42.1872 177.6017 111 L 4.2786 7.7739 115.1624 54.0142 41.8852 176.3621 112 E 3.7177 7.5862 117.2546 57.1082 27.3631 175.5371 113 V 3.6843 7.8944 117.4678 62.4838 32.7347 175.1641 114 S 4.0571 8.7213 120.0503 58.7683 62.5138 175.0674 115 S 4.1565 9.0330 123.3935 62.0794 62.7429 177.0166 116 T 4.0260 7.8301 108.3366 64.1735 68.7736 174.9293 117 D 4.5707 7.7407 120.5085 55.1850 41.3936 177.1114 118 K 4.2667 7.3306 117.9007 55.8767 32.5877 176.3804 119 L 4.1117 8.7528 127.4041 54.9133 42.5075 177.2643 120 E 3.9575 8.8610 122.5467 56.3801 29.8338 173.7539 121 I 4.0459 8.3351 128.6543 59.6313 36.5760 176.2785 122 N 4.5771 7.9996 121.1486 52.0865 37.8221 173.2106 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 S 8.19 4.52 0.00 3.67 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 5 D 8.77 4.26 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.82 4.11 0.00 1.80 1.79 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.78 3.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.04 0.00 0.00 8 T 8.07 3.86 4.43 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 1.22 0.00 0.00 9 K 7.99 3.91 0.00 1.76 2.10 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.51 7.81 10 F 8.58 4.36 0.00 3.17 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 11 E 8.80 3.87 0.00 2.06 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 2.26 2.19 0.00 12 S 7.72 4.46 0.00 3.99 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 13 L 7.40 4.28 0.00 1.52 1.44 0.90 0.46 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 14 I 8.19 3.60 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.44 0.80 0.00 0.00 15 I 7.59 3.55 1.71 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 1.34 0.89 0.80 0.00 0.00 16 S 7.35 4.05 0.00 3.37 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.81 4.31 0.00 1.85 1.85 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.35 7.81 18 Y 7.56 4.26 0.00 2.74 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 19 P 0.00 3.93 0.00 1.99 1.67 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.57 0.00 20 V 9.23 4.66 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 0.66 0.00 0.00 0.93 0.00 0.00 21 S 8.39 4.59 0.00 3.68 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 *22 F 8.63 4.89 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 A 7.98 4.43 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 32 Q 7.78 3.89 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 33 W 8.18 4.42 0.00 3.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.94 4.08 0.00 1.82 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 2.24 2.19 0.00 35 S 8.07 4.26 0.00 3.99 4.10 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 36 V 7.77 3.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.29 0.00 0.00 37 L 8.30 4.10 0.00 1.69 1.66 0.92 0.69 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 38 K 8.42 4.25 0.00 1.79 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.36 7.81 39 S 8.03 4.79 0.00 3.86 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 40 G 7.67 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.75 4.72 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 42 I 7.93 3.96 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.95 0.00 0.00 43 Q 8.09 3.99 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 44 P 0.00 4.43 0.00 2.26 2.19 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 45 H 7.84 4.71 0.00 3.52 3.50 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.97 4.09 0.00 1.89 1.78 0.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.23 4.52 0.00 2.75 2.77 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 48 Q 8.15 4.04 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 49 L 8.49 3.94 0.00 2.01 1.89 -0.19 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.37 4.32 0.00 3.10 3.08 0.00 0.00 6.90 6.03 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 51 L 7.84 3.99 0.00 1.72 1.89 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.11 3.74 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.17 0.00 0.00 53 L 7.71 4.19 0.00 1.53 1.57 -0.01 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.48 3.68 0.00 1.75 2.01 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.27 0.00 55 D 7.57 4.81 0.00 2.61 2.62 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 56 N 7.57 4.95 0.00 2.73 2.74 0.00 0.00 7.13 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 57 T 8.66 3.54 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58 F 7.39 5.14 0.00 3.14 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 59 I 8.83 3.38 1.70 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 0.36 0.24 0.26 0.00 0.00 60 V 7.68 4.28 2.15 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 0.90 0.00 0.00 0.99 0.00 0.00 61 S 8.00 3.80 0.00 4.11 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 62 T 7.85 4.59 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 1.36 0.00 0.00 63 L 8.22 3.98 0.00 0.80 0.81 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.18 4.76 0.00 2.85 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 0.00 0.00 0.00 0.00 65 P 0.00 3.79 0.00 1.91 1.58 0.00 3.58 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 66 T 8.70 4.73 4.28 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 1.28 0.00 0.00 67 S 8.62 3.65 0.00 3.75 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 68 T 7.51 4.16 4.27 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 1.25 0.00 0.00 69 D 8.04 4.61 0.00 2.81 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 70 V 7.35 3.50 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 0.99 0.00 0.00 0.06 0.00 0.00 71 H 8.42 4.32 0.00 3.31 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.95 3.76 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 0.89 0.00 0.00 0.94 0.00 0.00 73 F 8.70 4.27 0.00 2.77 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 74 E 8.25 3.71 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 75 V 7.36 3.92 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 0.99 0.00 0.00 0.96 0.00 0.00 76 A 8.40 4.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.64 3.67 0.00 0.70 1.10 0.87 1.18 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 78 P 0.00 4.22 0.00 2.14 2.03 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 79 L 7.45 3.88 0.00 1.94 1.74 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.10 3.63 1.85 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 1.59 0.69 0.95 0.00 0.00 81 K 8.19 3.99 0.00 1.94 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.68 7.81 82 D 8.15 4.43 0.00 2.70 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 83 L 7.91 4.02 0.00 1.80 1.78 0.94 0.65 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 84 V 8.04 3.71 2.27 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 1.04 0.00 0.00 1.12 0.00 0.00 85 A 8.00 4.11 1.37 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 0.00 0.00 86 S 7.49 4.59 0.00 4.06 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 87 S 7.26 4.37 0.00 4.00 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 88 K 8.55 4.04 0.00 1.77 1.85 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.36 7.81 89 D 8.03 4.29 0.00 2.73 2.45 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 90 V 8.20 3.37 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.18 0.00 0.00 91 K 7.83 3.80 0.00 1.83 1.82 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.62 7.81 92 S 8.25 4.08 0.00 4.03 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 93 T 7.22 3.84 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 1.42 0.00 0.00 94 Y 7.93 4.67 0.00 3.11 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 95 T 8.11 3.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 96 T 7.57 3.96 3.78 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 0.55 0.00 0.00 97 Y 7.62 5.03 0.00 3.16 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 98 R 8.28 3.93 0.00 1.59 1.85 0.00 3.10 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 99 H 7.84 4.41 0.00 3.33 3.39 0.00 5.63 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 0.00 100 I 7.88 3.89 2.16 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 1.59 0.74 1.12 0.00 0.00 101 L 8.37 4.12 0.00 1.89 1.73 1.07 0.90 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 0.00 102 R 8.11 3.94 0.00 1.96 2.22 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 103 W 8.31 4.28 0.00 3.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.57 3.70 2.14 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 1.63 0.91 1.06 0.00 0.00 105 D 8.32 4.37 0.00 2.93 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 0.00 106 Y 7.85 3.87 0.00 3.15 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 0.00 107 M 8.13 3.76 0.00 0.51 0.65 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.95 0.00 108 Q 8.23 3.99 0.00 2.38 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 109 N 7.61 4.26 0.00 2.79 2.73 0.00 0.00 6.53 6.62 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 0.00 110 L 7.44 3.69 0.00 1.11 1.65 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.77 4.28 0.00 1.59 1.68 0.74 0.90 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 0.00 112 E 7.59 3.72 0.00 2.02 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 2.21 2.17 0.00 113 V 7.89 3.68 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 0.76 0.00 0.00 1.15 0.00 0.00 114 S 8.72 4.06 0.00 3.92 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 0.00 115 S 9.03 4.16 0.00 3.92 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 0.00 116 T 7.83 4.03 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 0.00 117 D 7.74 4.57 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 0.00 118 K 7.33 4.27 0.00 1.96 1.76 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.69 7.81 119 L 8.75 4.11 0.00 1.62 1.61 1.00 0.88 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 0.00 120 E 8.86 3.96 0.00 2.03 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 0.00 2.23 1.91 0.00 121 I 8.34 4.05 1.83 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 1.22 0.75 0.84 0.00 0.00 122 N 8.00 4.58 0.00 2.72 2.56 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.