NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 5.0564 8.3916 116.7750 54.2836 30.1836 174.1087 0 H 4.1322 8.1790 116.6991 57.7897 29.3606 172.9712 2 D 4.8566 9.1953 118.2081 53.2390 41.1074 173.7655 3 I 4.5330 8.1403 123.5045 59.7309 38.9321 174.8235 4 R 4.4628 8.7505 127.5478 54.6877 32.2970 174.1080 5 Y 5.0999 8.2748 122.8828 56.1989 40.7242 174.9897 6 F 4.8350 9.2623 122.2097 55.9877 42.8113 175.6190 7 G 4.0664 9.1426 111.5864 46.8187 0.0000 173.6519 8 T 4.0895 8.1845 116.5801 63.4760 68.8068 174.4719 9 T 4.4545 8.6588 117.1672 58.7070 71.2211 173.3976 10 P 4.1333 0.0000 0.0000 64.3349 31.3877 177.3166 11 R 4.4363 7.3093 117.6937 57.3284 31.8622 174.8639 12 Y 4.7537 6.7862 112.8467 56.3062 40.8871 172.7171 13 S 5.2207 8.4912 116.2742 56.8826 64.9906 174.5709 14 E 4.0042 8.3829 122.6068 58.8750 30.2659 177.0058 15 A 5.1427 8.3473 119.8273 50.1584 23.3014 175.4112 16 V 4.8472 9.2377 120.8407 61.0612 34.9562 174.4566 17 G 4.6997 9.3007 114.8596 44.5242 0.0000 171.8235 18 A 5.0711 8.9678 124.7295 51.0582 23.1523 175.9152 19 N 4.1766 10.0600 120.3356 54.4374 37.7513 174.4418 20 G 4.0825 8.3846 105.7890 44.9504 0.0000 173.8990 21 L 4.7910 7.8482 119.1426 54.1563 43.5923 176.0991 22 I 5.0107 8.7023 122.1823 59.5658 40.9219 174.3872 23 F 4.8905 9.6537 125.8341 55.7207 41.2598 174.5309 24 L 4.9322 8.5572 124.5052 53.3600 42.8097 177.3151 25 S 4.1704 8.6954 119.3765 58.4589 63.6688 175.9354 26 G 4.5209 8.1274 108.9047 45.0130 0.0000 173.0443 *28 V 3.4658 7.9750 111.3766 59.9217 32.4473 173.4621 29 P 4.4204 0.0000 0.0000 62.8891 31.6915 176.1921 30 E 4.5653 9.1505 121.3900 56.6322 30.6103 175.7322 31 N 4.9824 7.7371 113.6518 52.4416 42.8341 174.8541 32 G 4.0821 8.9893 106.8908 45.9884 0.0000 172.4545 33 E 4.5077 8.5274 117.8738 57.9326 31.5494 178.0693 34 T 4.1909 7.7900 108.4104 60.9056 71.0540 174.7985 35 A 3.9633 8.6336 123.6129 55.5358 18.3628 179.7893 36 A 3.9420 8.1999 118.9222 55.5958 18.5542 179.7995 37 E 3.9495 8.1341 116.8783 59.6828 29.4437 179.7021 38 Q 4.1736 8.4025 118.3503 59.0056 28.7639 178.7164 39 T 3.7653 8.3749 117.0353 66.5697 68.4663 176.2923 40 A 3.9025 7.7198 122.0696 55.3328 18.3837 179.1401 41 D 4.2145 7.8902 115.8849 57.4044 41.2587 178.6592 42 V 3.4675 7.9374 118.9324 66.0779 31.5323 178.1072 43 L 3.5141 8.1799 118.8625 57.2977 41.2829 179.3310 44 A 4.0097 8.2451 121.3051 55.1176 18.2611 179.5624 45 Q 3.9377 7.9913 116.4955 59.2977 28.7811 179.1226 46 I 3.8402 7.7152 120.6099 64.6505 37.1686 178.0059 47 D 4.5167 8.3790 119.5534 57.5932 40.7053 179.2289 48 R 3.7770 7.8477 118.0485 59.1980 30.0975 179.3066 49 W 4.2643 8.2068 118.6866 59.6052 29.0359 178.6285 50 L 3.9758 8.4359 119.1270 57.7271 41.0815 179.4061 51 A 4.0775 8.1215 120.5947 55.3704 18.1356 179.4974 52 E 3.9673 8.0334 115.7131 59.2782 29.5233 178.4238 53 C 4.0597 7.5063 114.2735 58.5649 28.5219 173.6017 54 G 3.8048 8.0706 109.1133 46.8034 0.0000 173.4524 55 S 4.6340 8.1090 115.1481 57.4539 65.6340 171.0030 56 D 4.5442 7.9475 117.8066 52.6193 41.2758 176.0352 57 K 3.8023 8.5176 117.5533 59.6593 32.3405 177.6893 58 A 4.0939 7.7033 120.0718 53.4264 18.5945 177.0589 59 H 4.8437 8.2452 113.6752 55.1336 29.9712 173.1980 60 V 4.2460 7.8223 119.3346 62.5705 32.4251 175.5313 61 L 4.3652 8.9345 127.6402 57.1551 43.0813 176.3814 62 D 5.3238 7.8568 116.2190 52.8002 45.3011 173.9665 63 A 5.1970 9.1984 126.0334 50.4475 22.7764 174.8301 64 V 4.4120 8.8009 123.4365 61.1550 33.8733 174.4353 65 I 4.6453 8.3935 129.0396 59.7149 39.6250 173.9569 66 Y 5.1291 8.8713 125.5396 56.2303 40.3720 174.7386 67 L 5.1106 8.6127 123.8826 52.7615 44.1642 177.4443 68 R 4.0950 8.6265 124.1213 58.8188 30.6722 175.3382 69 D 4.5908 7.6018 116.5314 53.1673 43.5910 174.7531 *71 G 3.8688 8.6066 104.5860 45.6913 0.0000 173.1106 72 D 4.7057 8.3468 119.2013 54.3899 41.3001 177.4573 73 Y 4.1092 8.2646 120.9031 60.8813 39.1221 177.3101 74 A 3.9557 8.2393 121.8346 55.3167 18.6400 179.6600 75 E 3.9948 7.6953 112.4628 57.4010 29.3097 178.0461 *77 N 4.6027 8.3230 116.8411 52.8533 40.9139 176.6479 78 G 3.9026 8.2154 104.9083 48.1118 0.0000 175.8495 79 V 3.7370 7.4074 120.4680 65.1687 31.6253 177.6122 80 W 4.2977 8.3267 127.6772 60.9700 30.2976 177.3950 81 D 4.4132 8.8683 117.6671 57.4416 40.3205 178.4567 82 A 4.1368 7.5489 118.9843 54.4223 18.4726 179.2426 83 W 4.1072 7.8964 126.2790 59.5937 31.2671 177.4641 84 V 2.6643 6.8492 110.5502 60.8867 31.6392 175.8079 85 A 3.8039 7.7565 125.8672 51.2443 18.3349 177.1043 86 A 4.0325 8.3331 126.2582 54.1105 18.7676 178.1414 87 G 4.0432 8.8751 109.1795 45.9811 0.0000 173.8152 88 R 4.6526 7.7395 118.8146 55.7906 31.2828 175.5906 89 T 4.0954 7.9511 107.9332 60.7329 69.7971 172.4828 90 P 4.7814 0.0000 0.0000 61.5587 33.3251 175.3566 91 A 4.2210 8.5570 121.9690 52.5968 19.2321 176.7636 92 R 5.0816 8.4661 120.3919 54.6698 33.7988 174.0323 93 A 4.6737 8.6366 125.8240 50.2595 22.8957 174.3865 94 C 5.1103 8.6258 121.3922 57.6836 34.0189 173.4099 95 V 4.5310 8.5394 118.7126 59.3865 36.1070 174.2219 96 E 4.9717 8.7247 123.5216 55.4957 29.9477 175.4185 97 A 4.7577 8.9182 128.0993 50.4722 23.0894 175.7872 98 R 4.0106 8.7248 121.2579 56.2389 30.8316 176.4085 99 L 4.6586 8.0836 121.0265 52.6763 44.2858 176.2420 100 A 4.0910 8.9111 121.5893 54.6875 18.6377 178.1767 101 R 4.3121 7.0022 113.7830 53.1491 32.6061 175.2594 102 P 4.2536 0.0000 0.0000 65.7816 31.4182 177.4984 103 E 4.1260 7.8386 116.6507 57.6909 29.7692 176.7129 104 W 4.7598 7.8881 120.0229 56.8089 29.4245 176.1410 105 R 4.7680 9.6587 122.6523 56.3382 31.4660 176.4103 106 V 5.0230 7.5556 117.6843 60.2652 34.5632 173.5971 107 E 4.6669 9.4350 124.1813 54.4980 33.1004 173.9621 108 I 4.9731 8.4340 126.5206 59.3076 40.3885 174.5077 109 K 4.5747 9.1857 128.6134 54.7693 34.4517 174.5979 110 I 5.0816 8.4225 127.8275 59.8689 40.3560 174.5605 111 T 4.8919 8.6406 121.9563 61.8319 71.7523 173.1656 112 A 5.1347 8.6721 126.2026 51.0145 23.6215 174.7639 113 V 4.7857 8.1840 111.6510 59.2835 34.6180 176.3188 114 K 4.1025 9.2359 127.4575 56.0724 32.3556 176.9604 115 R 4.0317 8.0645 127.4956 56.5305 30.6366 176.8091 116 D 4.5500 8.5758 121.9428 53.4684 41.8955 176.4449 117 A 4.1554 8.3669 122.1509 52.7173 18.3508 177.6336 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 H 8.39 5.06 0.00 2.95 3.03 0.00 7.08 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.18 4.13 0.00 3.13 3.36 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 9.20 4.86 0.00 2.81 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 3 I 8.14 4.53 1.72 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 1.14 0.51 0.10 0.00 0.00 4 R 8.75 4.46 0.00 1.81 1.73 0.00 2.97 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.99 0.00 5 Y 8.27 5.10 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.26 4.83 0.00 2.97 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 7 G 9.14 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 0.00 0.00 0.00 8 T 8.18 4.09 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 9 T 8.66 4.45 3.96 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 0.81 0.00 0.00 10 P 0.00 4.13 0.00 2.00 2.10 0.00 3.50 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 11 R 7.31 4.44 0.00 1.76 1.86 0.00 3.53 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 1.85 1.63 0.00 12 Y 6.79 4.75 0.00 3.26 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 13 S 8.49 5.22 0.00 3.94 4.13 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 14 E 8.38 4.00 0.00 1.16 1.12 0.00 0.00 0.00 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 1.89 0.00 15 A 8.35 5.14 1.14 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 0.00 0.00 16 V 9.24 4.85 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 0.74 0.00 0.00 1.06 0.00 0.00 17 G 9.30 4.70 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 0.00 0.00 0.00 18 A 8.97 5.07 1.22 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 0.00 0.00 0.00 19 N 10.06 4.18 0.00 2.69 2.80 0.00 0.00 7.38 7.98 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 20 G 8.38 4.08 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 0.00 0.00 0.00 21 L 7.85 4.79 0.00 1.86 1.43 1.05 0.52 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 22 I 8.70 5.01 1.88 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 1.18 0.76 0.87 0.00 0.00 23 F 9.65 4.89 0.00 2.89 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 24 L 8.56 4.93 0.00 1.65 1.57 1.01 0.87 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 25 S 8.70 4.17 0.00 3.54 3.50 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 0.00 0.00 0.00 26 G 8.13 4.52 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 0.00 0.00 0.00 *28 V 7.98 3.47 0.67 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 0.35 0.00 0.00 0.12 0.00 0.00 29 P 0.00 4.42 0.00 2.12 1.95 0.00 2.72 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 30 E 9.15 4.57 0.00 1.96 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 2.31 2.22 0.00 31 N 7.74 4.98 0.00 2.85 2.67 0.00 0.00 7.25 7.53 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 32 G 8.99 4.08 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 0.00 0.00 0.00 33 E 8.53 4.51 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 2.26 2.37 0.00 34 T 7.79 4.19 4.45 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 1.23 0.00 0.00 35 A 8.63 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.20 3.94 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 37 E 8.13 3.95 0.00 2.21 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 2.34 2.36 0.00 38 Q 8.40 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 39 T 8.37 3.77 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 1.22 0.00 0.00 40 A 7.72 3.90 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 41 D 7.89 4.21 0.00 2.80 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 42 V 7.94 3.47 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 0.87 0.00 0.00 0.80 0.00 0.00 43 L 8.18 3.51 0.00 1.33 0.39 0.50 -0.47 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 44 A 8.25 4.01 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 45 Q 7.99 3.94 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 46 I 7.72 3.84 1.97 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 1.57 0.80 1.10 0.00 0.00 47 D 8.38 4.52 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.85 3.78 0.00 1.72 1.52 0.00 3.17 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 49 W 8.21 4.26 0.00 3.42 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 50 L 8.44 3.98 0.00 1.93 1.74 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.12 4.08 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 52 E 8.03 3.97 0.00 2.13 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 2.32 2.17 0.00 53 C 7.51 4.06 0.00 2.77 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 54 G 8.07 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 55 S 8.11 4.63 0.00 3.74 3.81 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 56 D 7.95 4.54 0.00 2.78 2.69 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 57 K 8.52 3.80 0.00 0.79 1.65 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.47 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.04 0.83 7.81 58 A 7.70 4.09 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 59 H 8.25 4.84 0.00 3.17 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.82 4.25 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 1.02 0.00 0.00 1.12 0.00 0.00 61 L 8.93 4.37 0.00 1.70 1.67 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.86 5.32 0.00 2.75 2.43 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 63 A 9.20 5.20 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 64 V 8.80 4.41 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 0.18 0.00 0.00 0.85 0.00 0.00 65 I 8.39 4.65 1.60 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.11 0.77 0.00 0.00 66 Y 8.87 5.13 0.00 2.84 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 67 L 8.61 5.11 0.00 1.61 1.58 1.04 0.66 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 68 R 8.63 4.10 0.00 2.05 2.02 0.00 3.29 0.00 0.00 3.04 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.60 4.59 0.00 2.70 2.50 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 0.00 0.00 0.00 *71 G 8.61 3.87 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 0.00 0.00 0.00 72 D 8.35 4.71 0.00 2.89 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 73 Y 8.26 4.11 0.00 2.78 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 74 A 8.24 3.96 1.31 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 0.00 0.00 0.00 75 E 7.70 3.99 0.00 1.87 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 2.38 2.30 0.00 *77 N 8.32 4.60 0.00 2.78 2.76 0.00 0.00 6.88 7.95 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 78 G 8.22 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 79 V 7.41 3.74 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 1.03 0.00 0.00 1.01 0.00 0.00 80 W 8.33 4.30 0.00 3.48 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 81 D 8.87 4.41 0.00 2.74 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 82 A 7.55 4.14 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 83 W 7.90 4.11 0.00 3.19 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 84 V 6.85 2.66 1.72 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 -0.26 0.00 0.00 0.77 0.00 0.00 85 A 7.76 3.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.03 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 87 G 8.88 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 R 7.74 4.65 0.00 1.73 1.75 0.00 3.06 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.95 4.10 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 1.22 0.00 0.00 90 P 0.00 4.78 0.00 2.25 2.37 0.00 4.05 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 91 A 8.56 4.22 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 92 R 8.47 5.08 0.00 1.81 1.69 0.00 2.21 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 93 A 8.64 4.67 1.10 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 94 C 8.63 5.11 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.54 4.53 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 0.61 0.00 0.00 0.99 0.00 0.00 96 E 8.72 4.97 0.00 1.96 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 2.33 2.38 0.00 97 A 8.92 4.76 1.24 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 0.00 0.00 98 R 8.72 4.01 0.00 1.81 1.87 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 99 L 8.08 4.66 0.00 1.88 1.90 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.91 4.09 1.32 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 0.00 0.00 101 R 7.00 4.31 0.00 0.67 1.26 0.00 2.78 0.00 0.00 2.94 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 102 P 0.00 4.25 0.00 2.12 2.13 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 103 E 7.84 4.13 0.00 2.02 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 0.00 2.29 2.33 0.00 104 W 7.89 4.76 0.00 3.52 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 0.00 105 R 9.66 4.77 0.00 1.76 2.13 0.00 3.16 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 106 V 7.56 5.02 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 0.60 0.00 0.00 0.96 0.00 0.00 107 E 9.43 4.67 0.00 2.01 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 2.28 2.20 0.00 108 I 8.43 4.97 1.82 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 1.12 0.74 0.97 0.00 0.00 109 K 9.19 4.57 0.00 1.90 1.71 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.64 7.81 110 I 8.42 5.08 1.93 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 1.41 1.06 0.98 0.00 0.00 111 T 8.64 4.89 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 112 A 8.67 5.13 1.19 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 0.00 0.00 113 V 8.18 4.79 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 0.66 0.00 0.00 0.99 0.00 0.00 114 K 9.24 4.10 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.64 7.81 115 R 8.06 4.03 0.00 1.58 1.74 0.00 3.09 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.33 0.00 116 D 8.58 4.55 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.37 4.16 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 * Residues marked with a * may have inaccurate shift predictions.