NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4619 8.1749 117.3926 63.0306 70.7370 175.0245 -4 E 5.5980 7.9064 119.3501 54.8289 31.1783 174.4512 -3 F 4.8765 9.1186 121.4394 56.2259 43.0561 173.4498 -2 K 4.1191 7.7099 126.1425 53.6848 35.1619 175.9110 -1 A 3.9536 7.2716 124.6567 51.7624 19.1238 177.6666 -4 G 5.2080 7.8164 107.9501 43.3289 0.0000 172.7512 -3 S 4.7265 9.1286 116.8394 56.8259 67.2561 172.2498 -2 A 4.1191 7.6599 129.5425 49.9848 21.1619 177.1110 -1 K 3.9536 7.3216 121.2567 55.4624 33.1238 176.4666 5 K 4.1770 8.1140 119.6983 59.5000 32.1783 178.9771 6 G 3.6316 8.1329 105.3165 47.6555 0.0000 175.1987 7 A 2.5800 7.8275 122.9311 54.7866 18.3360 179.7062 8 T 3.8699 7.6760 107.6423 64.6958 68.9590 176.7984 9 L 3.9407 7.7201 121.8504 57.4011 41.6096 179.1008 10 F 3.7816 8.1205 120.5799 61.1716 39.0751 177.1255 11 K 3.9151 7.6489 116.3840 59.8719 32.0307 179.0590 12 T 4.1447 7.8418 107.6897 63.3369 69.0984 175.3643 13 R 4.5997 8.0374 117.8792 55.6331 32.5473 175.8508 14 C 4.2428 7.9991 114.4643 60.0914 30.4837 175.9741 15 L 4.2115 7.2421 119.4672 57.2114 41.9179 177.6867 16 Q 4.0739 8.0656 118.7503 58.7971 29.0882 176.3326 17 C 4.7977 7.8787 111.9957 59.7758 29.8958 173.0600 18 H 5.4324 8.5047 115.9370 54.2747 33.6022 172.1999 19 T 4.8385 8.5447 108.5732 60.4048 71.7164 174.8155 20 V 4.2700 8.2080 114.5361 61.6643 34.2855 176.7776 21 E 4.0581 7.8792 117.3243 55.5177 30.0660 175.9592 22 K 3.9338 8.0845 122.4134 57.8987 32.4296 177.0849 23 G 3.9106 9.0582 114.6939 45.1365 0.0000 173.2856 24 G 3.8625 7.5943 108.5132 44.1319 0.0000 171.9498 25 P 4.6689 0.0000 0.0000 61.1588 33.0562 175.5341 26 H 4.6898 8.2456 116.8688 56.1328 30.3446 176.1956 27 K 4.5945 8.5249 123.9894 55.5434 32.9510 178.5293 28 V 3.7247 8.9697 125.5658 66.8649 31.5737 176.2191 29 G 3.7125 8.0463 106.9946 44.3258 0.0000 171.4624 30 P 4.2248 0.0000 0.0000 61.3510 32.3250 175.8808 31 N 4.5071 8.9165 120.2829 53.4212 39.1579 174.6067 32 L 4.3887 9.2108 124.7648 54.6013 42.1770 176.1054 33 H 4.1221 8.7036 120.1307 57.3413 30.1288 174.9454 34 G 3.9453 8.7077 113.6708 46.5925 0.0000 175.0670 35 I 3.6543 7.3237 121.4096 63.4502 38.0538 176.2161 36 F 4.5820 7.6142 119.0271 59.4073 38.7902 175.2073 37 G 4.0465 10.3374 116.0139 45.0412 0.0000 173.5484 38 R 4.4554 7.8565 118.5567 55.9308 31.9578 175.4544 39 H 5.1839 8.4838 117.7036 53.9926 30.9604 175.1858 40 S 4.2007 8.5136 116.0118 59.4114 63.3106 174.4059 41 G 2.0000 7.7987 109.1351 46.7597 0.0000 174.0736 42 Q 4.5411 7.9231 114.6330 54.8588 30.4308 176.3008 43 A 4.2997 8.8467 122.8536 51.9218 19.0009 176.9913 44 E 4.4163 8.8122 120.2486 56.7029 30.9527 176.6332 45 G 3.9702 9.3180 110.3113 45.4913 0.0000 171.8696 46 Y 4.4692 7.6015 118.9730 55.3536 41.0195 176.0030 47 S 4.2293 6.9060 121.8300 57.2119 61.0170 173.0075 48 Y 4.6598 7.9930 123.1549 56.7794 38.6685 175.9749 49 T 4.3289 8.3540 112.5695 61.4799 71.3635 175.3171 50 D 4.3936 8.5780 120.2179 57.1364 40.5793 178.5258 51 A 4.0020 8.0460 120.1143 55.3457 18.6495 178.7565 52 N 4.4112 8.3649 115.0746 56.9364 39.0842 176.7083 53 I 3.5305 7.2691 120.0255 64.6700 37.1323 178.3937 54 K 4.0277 7.6438 115.7984 58.0926 31.9105 179.0419 55 K 3.8761 7.6485 119.7612 57.7580 33.1948 176.3715 56 N 3.9010 7.3416 114.3137 54.4313 37.7042 174.3030 57 V 3.4220 7.7937 119.2287 62.6012 33.1421 175.1015 58 L 4.4535 7.9465 130.1033 53.2655 42.5638 175.6262 59 W 4.9470 8.6308 128.2003 56.5324 30.3609 175.3466 60 D 4.8306 9.1088 123.4319 50.7710 41.8452 176.1216 61 E 3.6296 8.8283 119.7284 59.9472 29.2757 179.3634 62 N 4.4887 8.4933 117.1429 56.3261 38.6479 177.0266 63 N 4.3303 8.4350 117.2420 56.7285 38.7640 177.0503 64 M 4.2101 8.2766 119.2664 58.6438 32.0348 178.2279 65 S 4.2257 7.6576 112.8897 61.0345 62.8290 175.7008 66 E 4.0600 7.9541 120.9256 59.6596 28.8258 178.2954 67 Y 4.1332 7.9293 119.7214 60.9280 38.7251 178.1971 68 L 4.1211 8.0269 118.9390 57.2078 41.4838 179.3723 69 T 4.5011 7.7911 117.1193 64.8494 69.3684 173.8365 70 N 4.3734 7.6383 112.7578 52.3342 41.1036 173.2312 71 P 3.9811 0.0000 0.0000 62.6541 31.3818 178.3641 *73 K 3.8645 8.0544 121.4375 56.6874 33.8984 176.4871 74 Y 4.1096 8.4040 119.1017 60.0171 38.8843 175.8906 75 I 4.4523 8.7491 124.0264 57.9342 37.8401 171.8094 76 P 4.3577 0.0000 0.0000 63.8743 31.7723 176.9721 77 G 4.0580 8.9889 111.3004 45.4933 0.0000 173.8539 78 T 4.1114 7.3426 114.2037 62.0829 67.7508 174.0427 79 K 4.2884 8.5846 125.1129 57.1963 33.4024 176.3853 80 M 4.0679 8.1520 120.2332 56.2450 32.3894 176.4097 81 A 4.5054 8.4051 131.9575 50.3324 17.7517 174.0815 82 F 4.9422 7.8612 121.2459 55.2611 42.2030 175.2009 83 G 3.3678 8.3663 117.5001 48.8207 0.0000 172.5741 84 G 3.8046 5.3800 102.6312 42.7697 0.0000 173.4356 85 A 4.6234 8.6416 124.9383 49.9499 18.6305 177.6165 86 K 4.0433 8.3220 120.9294 58.9171 32.8086 178.4840 87 K 4.3076 7.8902 119.6314 55.1401 33.0724 176.8677 88 E 3.9645 8.8361 125.6511 59.1658 29.7420 178.6218 89 K 3.8810 8.1143 118.3378 60.2752 32.3500 178.4787 90 D 4.3883 8.0809 119.5233 57.2122 40.7778 178.9196 91 R 4.0132 8.3174 118.6458 59.2304 29.9562 178.8542 92 N 4.6505 8.9983 116.7256 56.5063 38.5183 176.9881 93 D 4.4478 8.2396 120.1013 57.4687 40.9766 178.8512 94 L 4.1311 8.2021 119.2976 58.2438 41.7257 179.8570 95 I 3.9795 8.3264 119.8373 64.5250 36.9328 178.7347 96 T 3.9891 8.5080 117.1266 66.7610 68.3548 175.7676 97 Y 4.0341 8.3890 121.7015 60.7617 38.7438 177.9927 98 L 3.6945 8.7293 119.9253 57.8551 41.6251 179.3256 99 K 3.5884 8.2583 118.3183 59.5105 31.8315 178.0155 100 K 3.9626 7.7367 118.6669 59.2842 32.1382 178.1814 101 A 3.8771 7.7006 118.1976 53.0113 18.9552 178.2201 102 T 4.0824 7.8841 108.0937 61.5618 69.1399 174.8391 103 E 4.0949 7.3833 126.5592 56.7973 29.6233 176.0374 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 -5 T 8.17 4.46 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 1.25 0.00 0.00 -4 E 7.91 5.60 0.00 2.04 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 2.23 2.36 0.00 -3 F 9.12 4.88 0.00 2.96 3.19 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 -2 K 7.71 4.12 0.00 1.51 1.42 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.26 7.81 -1 A 7.27 3.95 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 -4 G 7.82 5.21 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 0.00 -3 S 9.13 4.73 0.00 3.71 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 -2 A 7.66 4.12 1.17 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 0.00 0.00 -1 K 7.32 3.95 0.00 1.57 1.47 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 5 K 8.11 4.18 0.00 1.88 2.01 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.77 1.58 7.81 6 G 8.13 3.63 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 0.00 0.00 0.00 7 A 7.83 2.58 1.25 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 0.00 0.00 8 T 7.68 3.87 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 1.22 0.00 0.00 9 L 7.72 3.94 0.00 1.89 1.76 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.12 3.78 0.00 2.81 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 11 K 7.65 3.92 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.47 7.81 12 T 7.84 4.14 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 1.19 0.00 0.00 13 R 8.04 4.60 0.00 1.67 1.94 0.00 3.12 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 14 C 8.00 4.24 0.00 1.23 1.81 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 15 L 7.24 4.21 0.00 1.57 1.79 1.15 0.88 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 16 Q 8.07 4.07 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 17 C 7.88 4.80 0.00 2.73 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 18 H 8.50 5.43 0.00 3.11 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.54 4.84 4.55 0.00 0.00 0.00 0.00 0.00 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 20 V 8.21 4.27 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 0.20 0.00 0.00 0.80 0.00 0.00 21 E 7.88 4.06 0.00 2.06 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 0.00 2.34 2.23 0.00 22 K 8.08 3.93 0.00 1.22 1.49 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.41 7.81 23 G 9.06 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 24 G 7.59 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 25 P 0.00 4.67 0.00 2.18 2.03 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 26 H 8.25 4.69 0.00 3.29 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.52 4.59 0.00 1.76 1.15 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.38 1.37 7.81 28 V 8.97 3.72 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 0.78 0.00 0.00 0.94 0.00 0.00 29 G 8.05 3.71 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 0.00 0.00 0.00 30 P 0.00 4.22 0.00 1.62 0.95 0.00 3.56 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.60 0.00 31 N 8.92 4.51 0.00 2.80 2.72 0.00 0.00 7.30 7.78 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 32 L 9.21 4.39 0.00 1.60 1.46 0.81 0.72 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 33 H 8.70 4.12 0.00 3.18 3.19 0.00 6.08 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.71 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 35 I 7.32 3.65 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.64 0.10 0.00 0.00 36 F 7.61 4.58 0.00 3.13 2.95 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 37 G 10.34 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 0.00 0.00 0.00 38 R 7.86 4.46 0.00 2.12 1.96 0.00 3.18 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 39 H 8.48 5.18 0.00 2.87 3.09 0.00 5.92 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.51 4.20 0.00 4.03 3.63 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 41 G 7.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.92 4.54 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 43 A 8.85 4.30 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 44 E 8.81 4.42 0.00 2.16 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 2.30 2.36 0.00 45 G 9.32 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 46 Y 7.60 4.47 0.00 2.23 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 0.00 0.00 0.00 0.00 47 S 6.91 4.23 0.00 3.57 3.38 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 48 Y 7.99 4.66 0.00 3.04 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 49 T 8.35 4.33 4.31 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 1.33 0.00 0.00 50 D 8.58 4.39 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 51 A 8.05 4.00 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 52 N 8.36 4.41 0.00 2.94 2.95 0.00 0.00 7.28 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 53 I 7.27 3.53 1.99 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 1.36 0.89 0.86 0.00 0.00 54 K 7.64 4.03 0.00 1.73 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.54 7.81 55 K 7.65 3.88 0.00 1.81 1.87 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.46 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.33 1.30 7.81 56 N 7.34 3.90 0.00 3.00 2.67 0.00 0.00 7.24 7.59 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 57 V 7.79 3.42 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 0.02 0.00 0.00 0.59 0.00 0.00 58 L 7.95 4.45 0.00 1.49 1.43 0.69 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.63 4.95 0.00 3.41 2.83 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 0.00 60 D 9.11 4.83 0.00 2.76 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 61 E 8.83 3.63 0.00 1.16 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 2.04 2.22 0.00 62 N 8.49 4.49 0.00 3.08 2.95 0.00 0.00 6.96 6.68 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 63 N 8.43 4.33 0.00 3.15 3.09 0.00 0.00 6.63 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 64 M 8.28 4.21 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 65 S 7.66 4.23 0.00 3.95 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 0.00 66 E 7.95 4.06 0.00 2.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 67 Y 7.93 4.13 0.00 2.87 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 68 L 8.03 4.12 0.00 1.84 1.76 0.92 0.43 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 69 T 7.79 4.50 4.34 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 1.23 0.00 0.00 70 N 7.64 4.37 0.00 2.70 2.69 0.00 0.00 7.15 7.59 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 71 P 0.00 3.98 0.00 2.19 1.35 0.00 3.61 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 2.30 1.90 0.00 *73 K 8.05 3.86 0.00 1.77 2.15 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.61 7.81 74 Y 8.40 4.11 0.00 3.30 3.57 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 75 I 8.75 4.45 2.11 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 1.40 1.89 0.96 0.00 0.00 76 P 0.00 4.36 0.00 2.04 2.02 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 77 G 8.99 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 78 T 7.34 4.11 4.49 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 1.46 0.00 0.00 79 K 8.58 4.29 0.00 1.96 1.97 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 80 M 8.15 4.07 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 81 A 8.41 4.51 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 82 F 7.86 4.94 0.00 2.83 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 83 G 8.37 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 0.00 0.00 0.00 84 G 5.38 3.80 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 0.00 0.00 0.00 85 A 8.64 4.62 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 86 K 8.32 4.04 0.00 1.75 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.41 7.81 87 K 7.89 4.31 0.00 2.01 1.73 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 88 E 8.84 3.96 0.00 2.05 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 2.42 2.41 0.00 89 K 8.11 3.88 0.00 2.03 2.07 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 90 D 8.08 4.39 0.00 2.95 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 91 R 8.32 4.01 0.00 2.09 2.09 0.00 3.25 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 92 N 9.00 4.65 0.00 2.82 3.05 0.00 0.00 7.02 8.74 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 93 D 8.24 4.45 0.00 3.04 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 94 L 8.20 4.13 0.00 1.96 1.84 0.99 1.04 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 95 I 8.33 3.98 2.05 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 0.82 0.35 0.00 0.00 96 T 8.51 3.99 4.49 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 1.30 0.00 0.00 97 Y 8.39 4.03 0.00 3.11 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 98 L 8.73 3.69 0.00 1.93 1.87 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.26 3.59 0.00 1.64 2.00 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.09 7.81 100 K 7.74 3.96 0.00 1.86 1.79 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.55 7.81 101 A 7.70 3.88 0.71 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 0.00 0.00 102 T 7.88 4.08 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 1.08 0.00 0.00 103 E 7.38 4.09 0.00 1.80 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 2.45 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.