NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6818 8.1633 120.6138 55.3765 34.0462 173.9453 2 K 4.8708 9.4645 125.4491 53.7532 36.3520 173.3458 3 Q 4.7699 9.4425 125.9828 54.9335 31.1303 173.9568 4 V 4.6346 9.0631 127.4681 61.6783 33.8417 174.5234 5 T 5.0169 8.6745 123.8505 61.5597 71.8311 172.8245 6 A 4.9753 8.7060 126.7803 50.0236 23.1273 174.7258 7 I 4.9275 8.5805 121.5292 59.5019 40.1237 174.9870 8 I 5.0537 8.6817 120.0461 58.5738 41.9136 174.9250 9 K 4.2136 8.1953 121.4626 55.4323 32.5815 176.9630 10 P 4.1674 0.0000 0.0000 65.3331 31.4184 177.8619 11 F 4.6689 7.2069 110.3654 57.3992 38.3222 176.4259 12 K 4.4283 7.6122 120.9004 56.5494 32.2327 177.7226 13 L 3.9232 7.5734 122.0333 58.3749 41.8989 178.6060 14 D 4.3243 8.0269 118.2325 57.3534 40.8470 178.2077 15 E 3.9438 8.1268 119.4144 59.1445 29.7032 178.8936 16 V 3.5547 8.2332 118.8799 65.9412 31.7302 178.0353 17 R 3.8731 8.2148 118.7016 59.2478 29.7609 178.0014 18 E 3.9106 8.5325 119.5985 59.4282 29.2186 178.7486 19 S 4.0990 8.0613 113.0916 61.3843 62.3738 176.2188 20 L 3.8237 8.0536 121.5347 57.5989 41.3044 179.0732 21 A 4.0734 7.8931 120.4758 55.4455 18.0747 179.5400 22 E 3.5404 7.8785 115.7954 58.7946 29.4572 178.9943 23 V 4.3038 7.0437 110.1079 60.7185 32.0821 176.8707 24 G 3.8245 8.8187 107.5962 45.3380 0.0000 173.8687 25 V 4.1663 7.7080 120.2390 61.5110 31.8463 175.3637 26 T 4.4729 8.4677 116.3245 61.4459 70.5476 174.6567 27 G 3.8499 7.8693 111.2006 44.3704 0.0000 172.2762 28 L 4.5269 7.8734 124.8225 54.1022 43.7021 175.8029 29 T 4.5729 8.6686 118.8636 61.7809 71.0962 173.2819 30 V 4.8991 8.4388 126.1779 61.3537 33.8214 174.6539 31 T 4.6716 8.8039 124.2580 61.6607 72.0375 172.9102 32 E 4.4639 8.7809 125.7664 56.1684 30.5242 176.1665 33 V 4.5558 8.4658 117.0834 59.5332 36.5584 174.3262 34 K 4.8567 8.3447 118.9954 54.9973 35.9916 176.1897 35 G 4.2266 8.8656 109.8663 44.5108 0.0000 170.8260 36 F 5.0748 8.6300 117.8344 55.8945 40.8171 175.9654 *43 T 4.4100 8.4056 119.5724 63.5116 69.6251 172.8925 44 E 4.8994 9.4829 126.2405 54.4071 33.7115 174.1077 45 L 5.2532 8.5694 123.1951 53.7004 43.8448 175.9737 46 Y 4.6043 9.1969 123.8326 56.9390 40.9661 175.1896 47 R 3.8784 9.4604 127.9373 57.1356 27.6777 177.5817 48 G 3.9362 8.6941 105.4122 44.7935 0.0000 173.5679 49 A 4.8620 7.7009 120.9171 49.9809 22.0075 175.8076 50 E 4.7922 8.5324 119.6854 56.4429 30.8008 175.9595 51 Y 4.6724 9.3296 120.3135 56.2639 42.7311 174.3128 52 V 4.5101 8.4998 122.7710 61.9646 32.7259 175.3823 53 V 4.4889 8.2088 119.8582 60.2471 35.8125 173.6696 54 D 4.9359 7.7185 118.1394 52.9294 39.5215 176.0550 55 F 4.7480 7.8772 117.0692 58.9955 40.1119 175.2640 56 L 4.9948 8.6483 121.3515 52.2145 44.7965 174.3308 57 P 4.8371 0.0000 0.0000 62.8200 32.6329 175.2617 58 K 4.7102 8.8773 120.5143 54.8594 37.4213 174.8577 59 V 4.7198 8.4651 119.9071 61.1556 34.6497 173.9483 60 K 4.8632 8.8627 129.0849 55.1246 34.2067 174.8204 61 I 4.8841 8.6701 128.2704 59.5841 39.8348 174.4138 62 E 5.1573 9.6969 126.7393 54.6301 33.3292 175.3918 63 V 4.6523 8.6092 115.7547 59.6031 36.3498 174.4738 64 V 4.6671 8.4502 124.2430 61.4803 32.9981 174.8521 65 V 4.6289 9.0068 120.5132 59.0428 36.5954 174.6320 66 D 4.6932 8.5005 120.5213 54.1201 41.5406 176.4394 67 D 4.4703 9.0352 127.5658 58.4414 40.5148 180.2315 68 K 4.0554 7.9600 122.6722 59.2725 32.1337 181.1766 69 V 4.2549 7.8613 116.7019 64.2340 31.5921 178.0742 70 V 3.5734 7.4291 117.9017 66.7230 31.4188 177.7136 71 E 4.1242 8.1166 118.0121 59.2539 29.4104 179.0701 72 Q 4.0492 8.0562 117.0607 58.8151 28.9325 178.1704 73 A 3.9680 7.9863 123.0662 54.9021 18.3658 179.7441 74 V 3.4905 8.3002 117.1656 66.0743 31.6266 177.6216 75 D 4.2821 8.1840 117.5261 57.4612 40.9362 178.0733 76 A 4.0050 8.0379 121.0764 55.3050 18.2980 179.7631 77 I 3.6762 7.8134 118.2144 64.3567 37.3116 178.4867 78 I 3.6734 7.8566 120.7368 64.6068 36.7991 178.5759 79 K 3.9570 7.8426 117.4111 59.4593 31.9368 178.9169 80 A 4.1756 7.6909 119.8987 54.4156 18.6130 178.8679 81 A 4.2457 8.4741 118.2260 52.5965 19.2852 177.8987 82 R 4.1546 7.4490 118.5891 56.7365 30.4593 176.2495 83 T 4.3256 9.4064 115.3130 61.4629 70.0203 175.7626 84 G 3.9230 8.8397 109.7012 45.0446 0.0000 172.9927 85 K 4.5416 7.7017 119.2528 54.2217 34.2796 175.7520 86 I 3.9486 7.9549 121.2153 62.9321 37.4347 176.8529 87 G 4.0354 8.8932 112.2693 45.3772 0.0000 174.0922 88 D 4.3473 7.3360 120.1325 55.9986 41.3201 175.2501 89 G 4.2854 8.6901 102.3094 44.8475 0.0000 172.3813 90 K 4.6780 8.3753 116.1557 55.9716 35.8235 174.7861 91 I 4.9839 8.3741 122.2509 59.5829 40.0475 174.8813 92 F 5.0781 8.6138 120.2383 55.2513 41.7136 173.2815 93 V 4.9490 8.6188 120.0274 61.4736 33.5761 174.6959 94 Q 4.7945 8.9777 125.3522 53.9109 33.1422 174.6550 95 E 4.3747 8.8770 121.1017 56.4633 30.6490 176.6428 96 V 4.2379 7.9725 122.7516 61.1435 32.5117 175.3734 97 E 4.1119 8.9996 128.7495 59.3745 29.7030 177.5578 98 Q 4.5176 7.4856 116.0444 54.9132 32.1251 172.9726 99 V 4.4027 8.3065 123.8195 60.9672 33.9381 174.0703 100 I 4.9130 8.2414 127.2458 59.3602 39.9581 174.8094 101 R 4.3385 8.8789 125.7949 55.2801 29.5999 177.1002 102 I 3.6611 8.4867 126.4954 64.6694 37.5835 177.9453 103 R 4.0109 8.2029 118.8986 59.2814 29.9433 176.6921 104 T 4.2273 7.2580 103.8883 64.0615 69.8206 175.7048 105 G 4.0962 8.0265 107.6780 44.3235 0.0000 173.7239 106 E 4.1302 8.6939 120.7612 56.8209 30.1413 177.3906 107 T 5.2031 8.0419 110.2300 61.2215 68.9553 173.6305 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 8.16 4.68 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 2 K 9.46 4.87 0.00 1.67 1.64 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.60 7.81 3 Q 9.44 4.77 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 4 V 9.06 4.63 2.03 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 0.82 0.00 0.00 0.90 0.00 0.00 5 T 8.67 5.02 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 0.88 0.00 0.00 6 A 8.71 4.98 1.09 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 0.00 0.00 7 I 8.58 4.93 1.87 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 1.28 1.12 0.89 0.00 0.00 8 I 8.68 5.05 1.75 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 1.27 0.81 0.84 0.00 0.00 9 K 8.20 4.21 0.00 1.21 0.90 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.43 7.81 10 P 0.00 4.17 0.00 2.16 2.06 0.00 3.38 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 2.12 1.88 0.00 11 F 7.21 4.67 0.00 3.10 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 12 K 7.61 4.43 0.00 1.74 1.81 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.30 1.44 7.81 13 L 7.57 3.92 0.00 1.68 1.65 0.89 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.03 4.32 0.00 2.75 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 15 E 8.13 3.94 0.00 2.06 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 2.39 2.38 0.00 16 V 8.23 3.55 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 0.90 0.00 0.00 0.93 0.00 0.00 17 R 8.21 3.87 0.00 2.06 2.07 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 18 E 8.53 3.91 0.00 2.25 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 2.31 2.47 0.00 19 S 8.06 4.10 0.00 4.08 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 20 L 8.05 3.82 0.00 2.08 1.84 0.90 0.67 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 21 A 7.89 4.07 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 22 E 7.88 3.54 0.00 2.08 2.03 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 2.34 2.52 0.00 23 V 7.04 4.30 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 0.73 0.00 0.00 0.99 0.00 0.00 24 G 8.82 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 25 V 7.71 4.17 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 0.81 0.00 0.00 0.92 0.00 0.00 26 T 8.47 4.47 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 27 G 7.87 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 28 L 7.87 4.53 0.00 1.50 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.67 4.57 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 30 V 8.44 4.90 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 0.90 0.00 0.00 31 T 8.80 4.67 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 1.18 0.00 0.00 32 E 8.78 4.46 0.00 1.80 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 2.27 2.26 0.00 33 V 8.47 4.56 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 0.69 0.00 0.00 0.87 0.00 0.00 34 K 8.34 4.86 0.00 1.00 1.18 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.94 1.01 7.81 35 G 8.87 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 0.00 0.00 0.00 0.00 36 F 8.63 5.07 0.00 3.01 2.99 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 *43 T 8.41 4.41 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 1.29 0.00 0.00 44 E 9.48 4.90 0.00 2.07 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 2.37 2.37 0.00 45 L 8.57 5.25 0.00 1.66 1.66 0.96 0.81 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 46 Y 9.20 4.60 0.00 2.93 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 47 R 9.46 3.88 0.00 1.62 1.79 0.00 2.81 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 48 G 8.69 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 0.00 0.00 0.00 49 A 7.70 4.86 1.23 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 0.00 0.00 50 E 8.53 4.79 0.00 1.80 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 2.33 2.35 0.00 51 Y 9.33 4.67 0.00 2.96 2.88 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 52 V 8.50 4.51 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 0.79 0.00 0.00 0.94 0.00 0.00 53 V 8.21 4.49 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 0.74 0.00 0.00 0.93 0.00 0.00 54 D 7.72 4.94 0.00 2.74 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 55 F 7.88 4.75 0.00 2.95 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 56 L 8.65 4.99 0.00 1.56 1.54 0.96 1.12 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 P 0.00 4.84 0.00 2.05 2.02 0.00 3.73 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 2.00 2.01 0.00 58 K 8.88 4.71 0.00 1.58 1.77 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 59 V 8.47 4.72 1.99 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 0.97 0.00 0.00 0.88 0.00 0.00 60 K 8.86 4.86 0.00 1.84 1.61 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.33 7.81 61 I 8.67 4.88 1.79 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 1.18 0.64 0.85 0.00 0.00 62 E 9.70 5.16 0.00 1.77 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 2.15 2.19 0.00 63 V 8.61 4.65 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 0.73 0.00 0.00 0.89 0.00 0.00 64 V 8.45 4.67 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 0.80 0.00 0.00 0.93 0.00 0.00 65 V 9.01 4.63 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 0.71 0.00 0.00 0.98 0.00 0.00 66 D 8.50 4.69 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.04 4.47 0.00 2.72 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 68 K 7.96 4.06 0.00 1.85 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.06 7.81 69 V 7.86 4.25 2.20 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 0.93 0.00 0.00 0.93 0.00 0.00 70 V 7.43 3.57 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 0.84 0.00 0.00 0.93 0.00 0.00 71 E 8.12 4.12 0.00 2.01 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 2.40 2.31 0.00 72 Q 8.06 4.05 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 73 A 7.99 3.97 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 74 V 8.30 3.49 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 0.98 0.00 0.00 0.93 0.00 0.00 75 D 8.18 4.28 0.00 2.92 2.80 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 76 A 8.04 4.00 1.45 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 0.00 0.00 77 I 7.81 3.68 1.96 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 1.48 0.79 0.86 0.00 0.00 78 I 7.86 3.67 2.00 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 1.51 1.26 0.91 0.00 0.00 79 K 7.84 3.96 0.00 1.74 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 80 A 7.69 4.18 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 81 A 8.47 4.25 1.28 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 0.00 0.00 82 R 7.45 4.15 0.00 1.95 1.91 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 83 T 9.41 4.33 4.33 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 1.40 0.00 0.00 84 G 8.84 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 0.00 0.00 0.00 85 K 7.70 4.54 0.00 1.86 1.77 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.58 7.81 86 I 7.95 3.95 1.89 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 1.36 0.48 0.93 0.00 0.00 87 G 8.89 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 88 D 7.34 4.35 0.00 2.65 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 89 G 8.69 4.29 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 0.00 90 K 8.38 4.68 0.00 1.90 1.93 0.00 1.66 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.62 7.81 91 I 8.37 4.98 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.85 0.00 0.00 92 F 8.61 5.08 0.00 2.97 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 93 V 8.62 4.95 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 0.86 0.00 0.00 0.94 0.00 0.00 94 Q 8.98 4.79 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 95 E 8.88 4.37 0.00 1.86 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 0.00 2.32 2.26 0.00 96 V 7.97 4.24 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 0.83 0.00 0.00 0.97 0.00 0.00 97 E 9.00 4.11 0.00 2.00 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 2.32 2.31 0.00 98 Q 7.49 4.52 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 99 V 8.31 4.40 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 0.99 0.00 0.00 0.93 0.00 0.00 100 I 8.24 4.91 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 1.30 0.67 0.91 0.00 0.00 101 R 8.88 4.34 0.00 1.79 1.79 0.00 3.09 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 102 I 8.49 3.66 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 1.30 0.68 0.91 0.00 0.00 103 R 8.20 4.01 0.00 1.76 1.98 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 104 T 7.26 4.23 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 1.29 0.00 0.00 105 G 8.03 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 0.00 0.00 0.00 106 E 8.69 4.13 0.00 1.99 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 0.00 2.33 2.26 0.00 107 T 8.04 5.20 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 1.30 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.