NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 4.0116 8.0501 120.3083 61.0662 32.7549 174.9944 11 A 3.8627 8.2785 125.0154 51.4139 18.9563 176.0709 12 A 4.1978 8.4712 125.0532 51.9097 20.1933 174.9509 13 E 4.6716 8.1850 120.7550 53.6364 33.0892 175.4774 14 V 3.9916 8.1977 122.7645 63.2122 32.5826 175.0917 15 I 4.3398 8.9296 128.9209 59.8497 38.9382 174.8485 16 S 4.6497 8.7127 123.2154 57.3681 62.6454 173.3284 17 V 4.2983 8.4382 129.0336 62.3527 31.6508 175.4200 18 H 5.0652 9.3409 124.2441 55.5492 30.2854 174.4213 19 S 4.7639 7.5752 113.8831 55.7828 67.1688 174.6962 20 L 4.1212 8.5229 122.5546 57.8305 41.3697 179.3809 21 E 3.9650 8.2090 119.0201 59.4127 29.6858 178.5732 22 Q 4.0061 8.3486 119.6328 58.6389 29.1084 177.6372 23 W 4.2151 8.4325 129.5295 60.9773 30.7005 177.8688 24 T 3.8455 8.3386 115.6289 66.8735 67.9520 176.1045 25 M 3.9578 8.0110 119.7866 58.7965 32.3122 178.2458 26 Q 3.8946 7.9278 117.9554 59.0624 28.8079 179.0184 27 I 3.4193 7.3245 120.6585 64.0780 37.0396 178.1923 28 E 3.8982 8.1545 119.5674 59.7446 29.4810 179.4894 29 E 3.9551 8.2138 118.0898 59.1440 29.3766 179.3367 30 A 3.9469 8.0313 120.9445 55.2322 18.5789 179.4607 31 N 4.2628 8.3449 115.2420 56.7770 38.3657 177.8403 32 T 3.8956 7.8627 116.0265 66.2404 68.6479 175.7587 33 A 4.2455 7.7885 119.3651 51.1711 19.4167 176.9506 34 K 3.7522 7.5184 115.7103 57.2789 30.3887 175.1010 35 K 4.6016 7.9736 116.3827 54.4945 34.4107 177.7495 36 L 4.1871 8.4278 125.5102 55.2947 43.6191 175.5178 37 V 4.6288 9.0427 125.9733 60.9750 34.2228 174.1002 38 V 4.3755 8.3301 128.2446 61.0322 33.7539 173.9817 39 I 4.7495 8.6006 129.4481 59.5502 39.7235 174.3221 40 D 4.1438 8.8275 127.9513 52.7101 42.0502 175.3692 41 F 4.6991 8.8044 127.2745 57.0579 40.0577 175.0936 42 T 4.7900 8.9003 118.0959 60.0884 71.4828 172.0294 43 A 4.7624 7.6856 123.7250 49.8129 22.0017 177.6694 44 S 3.9449 7.9885 116.3736 60.7107 63.2580 175.3464 45 W 4.5990 7.3974 115.7283 56.3523 28.3993 175.4269 46 C 4.7041 7.3274 120.6940 57.6268 32.6156 174.0716 47 G 3.7135 8.6623 115.2275 47.7448 0.0000 173.2379 48 P 4.3385 0.0000 0.0000 65.3403 31.1281 178.5083 49 C 4.1255 7.6740 114.1886 62.7877 27.7444 176.3082 50 R 3.9554 7.5930 118.4736 59.0987 29.6788 178.8183 51 I 3.8862 7.6591 118.4280 64.7306 37.5153 177.8719 52 M 4.3306 8.1903 118.2015 57.0029 31.9189 178.3384 53 A 4.1078 7.7617 122.3041 54.9401 18.5586 177.9188 54 P 4.2621 0.0000 0.0000 65.8631 31.3578 178.6951 55 V 3.5740 7.8138 117.6183 65.8319 31.5613 177.6609 56 F 4.1773 8.8090 120.6370 61.2054 39.1391 176.9374 57 A 3.8418 8.2463 120.4953 55.1012 18.2803 179.1082 58 D 4.1785 8.1845 116.5452 57.4943 41.3760 178.4796 59 L 4.0125 7.7486 119.2537 57.6066 41.3208 179.2614 60 A 2.5800 6.7080 120.0281 54.3502 18.2572 179.4548 61 K 4.0772 7.2756 115.9557 59.3706 32.9852 179.1216 62 K 4.0229 7.4690 118.2022 57.3095 33.6469 177.1464 63 F 4.8468 7.7725 117.7441 54.8020 39.1108 173.7126 64 P 4.4340 0.0000 0.0000 64.9808 31.9117 178.6337 65 N 4.4250 8.3477 115.6747 54.7929 37.6221 174.6753 66 A 4.7949 7.8296 119.9264 50.3470 21.3861 176.6096 67 V 4.1944 8.6195 120.8790 61.5462 33.4668 174.7034 68 F 5.1226 8.9441 126.9926 55.9832 40.9427 174.5983 69 L 5.3344 9.1636 124.4742 52.7252 44.9948 175.4372 70 K 4.8070 9.0984 123.8442 54.5843 34.9103 174.8540 71 V 4.4809 8.3606 127.1284 60.9116 34.7067 173.6834 72 D 4.9181 8.6197 128.1384 53.9761 41.6355 177.3179 73 V 3.7929 8.5797 120.1251 64.3270 31.5533 177.5728 74 D 4.5435 8.5545 120.0441 56.6618 41.2096 177.5501 75 E 4.1178 8.4820 119.0584 58.3837 30.5059 176.7323 76 L 4.7917 7.7150 117.7342 52.4259 41.9369 176.9258 77 K 4.0005 8.0300 122.2672 59.1787 32.5861 176.9832 78 P 4.2176 0.0000 0.0000 65.6275 31.2027 178.7773 79 I 3.3759 7.4380 117.8575 64.0508 37.0595 178.0850 80 A 3.6338 7.7178 121.1732 55.1681 18.1844 179.5971 81 E 3.7957 8.4720 117.5354 59.3452 29.2480 179.0661 82 Q 3.7092 7.5365 118.8595 58.6863 28.9449 177.8731 83 F 4.7126 6.9603 114.4683 55.9344 40.0667 175.9290 84 S 3.4874 7.7074 113.4689 59.4125 60.5752 174.0097 85 V 3.8435 7.6466 119.4503 62.2107 31.0692 174.7931 86 E 4.6469 8.6710 124.5294 55.5194 31.1059 175.6457 87 A 4.8042 7.8066 121.1129 50.4449 21.9631 175.6526 88 M 4.8048 8.3311 120.7061 52.5444 35.7576 173.6551 89 P 4.5117 0.0000 0.0000 62.8793 33.4563 174.8893 90 T 4.9188 8.1929 118.5034 61.8630 71.5022 172.9028 91 F 5.1971 9.4405 125.7347 55.7558 41.2823 174.4200 92 L 5.1006 8.9305 126.3334 53.2238 44.9399 174.7663 93 F 5.1512 9.2276 124.7217 56.0920 41.3632 174.6296 94 M 5.3248 9.2591 123.0643 53.5621 36.7838 174.4657 95 K 4.5536 8.9551 123.4604 55.2731 35.8947 176.0415 96 E 3.5853 9.8721 128.2983 57.6500 26.9337 175.6647 97 G 3.9689 8.4161 103.7625 45.4807 0.0000 172.6445 98 D 4.8736 7.7405 119.9800 51.8468 43.0169 175.2278 99 V 4.1833 8.5084 126.7671 62.9752 31.9494 175.2091 100 K 4.3792 8.8525 127.1985 58.1212 33.5672 175.8510 101 D 4.5356 7.6799 116.8225 53.8995 44.5721 174.4557 102 R 5.4364 8.4826 119.0891 54.7065 34.6696 174.8224 103 V 4.5266 9.3942 122.3943 61.1638 34.5187 174.1972 104 V 4.5396 8.9198 127.8143 62.8124 33.1314 175.4895 105 G 3.9004 9.2527 114.0121 44.8247 0.0000 173.7360 106 A 4.4357 8.0857 121.8417 51.1578 16.9244 178.9242 107 I 4.3380 7.2448 122.7549 58.3807 37.8742 176.1011 108 K 3.9324 8.3153 124.7479 59.2598 32.2294 178.4900 109 E 3.9714 8.1281 117.3285 59.4758 29.4521 178.6886 110 E 3.9061 8.0788 119.8845 58.6475 29.7680 178.2300 111 L 3.9855 7.9030 120.3756 58.5534 42.1605 179.0587 112 T 3.8558 8.0093 115.3217 66.6266 68.4309 176.4520 113 A 3.9912 8.0743 122.5562 55.2481 18.3864 179.9068 114 K 3.7742 8.2415 117.0512 59.0849 31.9867 179.8312 115 V 3.8271 8.1899 119.0519 66.0607 31.2558 178.2734 116 G 3.5800 7.6210 103.9389 47.5919 0.0000 175.1342 117 L 4.0191 7.8630 122.5201 58.4345 41.9655 178.8037 118 H 4.1651 8.2261 115.4505 58.1032 28.4898 177.5356 119 A 3.9040 8.0405 121.9882 54.4436 18.3391 178.8024 120 A 4.3884 7.4571 117.2243 52.5203 18.8783 177.3652 121 A 3.8800 7.1391 123.2935 52.5905 18.5436 178.2894 *122 Q 4.1483 8.5924 120.5249 55.6125 28.8877 171.6029 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 10 V 8.05 4.01 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 0.88 0.00 0.00 0.92 0.00 0.00 11 A 8.28 3.86 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 12 A 8.47 4.20 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 13 E 8.18 4.67 0.00 1.86 1.77 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 2.17 2.22 0.00 14 V 8.20 3.99 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 1.15 0.00 0.00 0.93 0.00 0.00 15 I 8.93 4.34 1.90 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 1.12 0.49 0.92 0.00 0.00 16 S 8.71 4.65 0.00 3.90 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 17 V 8.44 4.30 2.18 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 1.02 0.00 0.00 1.01 0.00 0.00 18 H 9.34 5.07 0.00 3.21 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.58 4.76 0.00 4.03 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 20 L 8.52 4.12 0.00 1.76 1.83 0.92 0.69 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 21 E 8.21 3.96 0.00 2.07 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 0.00 2.41 2.40 0.00 22 Q 8.35 4.01 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 23 W 8.43 4.22 0.00 3.51 3.30 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 24 T 8.34 3.85 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 1.25 0.00 0.00 25 M 8.01 3.96 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 26 Q 7.93 3.89 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 27 I 7.32 3.42 1.45 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 0.29 -0.36 0.76 0.00 0.00 28 E 8.15 3.90 0.00 2.18 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 2.31 2.45 0.00 29 E 8.21 3.96 0.00 1.97 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 2.30 2.40 0.00 30 A 8.03 3.95 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 31 N 8.34 4.26 0.00 2.89 2.86 0.00 0.00 7.07 7.88 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 32 T 7.86 3.90 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 1.20 0.00 0.00 33 A 7.79 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 34 K 7.52 3.75 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.38 7.81 35 K 7.97 4.60 0.00 1.58 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.51 7.81 36 L 8.43 4.19 0.00 1.76 1.49 0.98 0.83 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 37 V 9.04 4.63 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 0.66 0.00 0.00 0.84 0.00 0.00 38 V 8.33 4.38 1.08 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 0.53 0.00 0.00 0.19 0.00 0.00 39 I 8.60 4.75 1.66 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 1.29 0.47 0.20 0.00 0.00 40 D 8.83 4.14 0.00 1.58 1.76 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 41 F 8.80 4.70 0.00 2.92 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 42 T 8.90 4.79 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 1.11 0.00 0.00 43 A 7.69 4.76 0.05 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 44 S 7.99 3.94 0.00 4.20 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 45 W 7.40 4.60 0.00 3.52 3.22 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 46 C 7.33 4.70 0.00 2.10 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 48 P 0.00 4.34 0.00 2.16 2.16 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 49 C 7.67 4.13 0.00 3.07 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 50 R 7.59 3.96 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 51 I 7.66 3.89 2.08 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 1.84 0.76 0.95 0.00 0.00 52 M 8.19 4.33 0.00 2.43 2.32 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.98 0.00 53 A 7.76 4.11 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 54 P 0.00 4.26 0.00 2.29 2.34 0.00 3.89 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 2.20 2.05 0.00 55 V 7.81 3.57 2.29 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 1.02 0.00 0.00 0.96 0.00 0.00 56 F 8.81 4.18 0.00 3.35 3.30 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 57 A 8.25 3.84 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 58 D 8.18 4.18 0.00 2.76 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 59 L 7.75 4.01 0.00 1.62 1.63 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 A 6.71 2.58 0.73 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 0.00 0.00 61 K 7.28 4.08 0.00 1.78 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.36 7.81 62 K 7.47 4.02 0.00 1.86 1.44 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 63 F 7.77 4.85 0.00 3.42 3.10 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 64 P 0.00 4.43 0.00 2.18 2.17 0.00 3.72 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 1.98 1.91 0.00 65 N 8.35 4.42 0.00 2.91 3.05 0.00 0.00 5.91 7.26 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 66 A 7.83 4.79 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 67 V 8.62 4.19 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 0.95 0.00 0.00 0.90 0.00 0.00 68 F 8.94 5.12 0.00 2.83 2.58 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 69 L 9.16 5.33 0.00 1.57 1.58 0.69 0.52 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 70 K 9.10 4.81 0.00 1.85 1.63 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.18 7.81 71 V 8.36 4.48 1.44 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 0.93 0.00 0.00 0.87 0.00 0.00 72 D 8.62 4.92 0.00 2.75 2.53 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 0.00 0.00 0.00 0.00 73 V 8.58 3.79 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 0.80 0.00 0.00 0.96 0.00 0.00 74 D 8.55 4.54 0.00 2.91 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 75 E 8.48 4.12 0.00 1.96 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 2.32 2.36 0.00 76 L 7.71 4.79 0.00 1.67 1.44 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.03 4.00 0.00 1.77 1.83 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.70 7.81 78 P 0.00 4.22 0.00 2.04 2.03 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 79 I 7.44 3.38 1.66 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.45 -0.08 0.00 0.00 80 A 7.72 3.63 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 81 E 8.47 3.80 0.00 1.93 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 2.38 0.00 82 Q 7.54 3.71 0.00 1.84 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 1.29 2.01 0.00 83 F 6.96 4.71 0.00 2.88 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 84 S 7.71 3.49 0.00 3.97 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 85 V 7.65 3.84 1.74 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 0.60 0.00 0.00 0.17 0.00 0.00 86 E 8.67 4.65 0.00 1.93 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 2.16 2.18 0.00 87 A 7.81 4.80 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 88 M 8.33 4.80 0.00 1.68 1.71 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 89 P 0.00 4.51 0.00 1.31 1.86 0.00 3.63 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 2.12 2.02 0.00 90 T 8.19 4.92 4.18 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 1.26 0.00 0.00 91 F 9.44 5.20 0.00 3.02 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 92 L 8.93 5.10 0.00 1.85 1.54 0.79 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.23 5.15 0.00 3.09 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 94 M 9.26 5.32 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 95 K 8.96 4.55 0.00 1.77 1.60 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.56 7.81 96 E 9.87 3.59 0.00 2.13 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 2.22 2.28 0.00 97 G 8.42 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 98 D 7.74 4.87 0.00 2.79 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 99 V 8.51 4.18 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 0.88 0.00 0.00 1.06 0.00 0.00 100 K 8.85 4.38 0.00 1.47 1.66 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.49 7.81 101 D 7.68 4.54 0.00 2.22 1.83 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 0.00 102 R 8.48 5.44 0.00 1.74 1.85 0.00 3.24 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 103 V 9.39 4.53 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.13 0.00 0.00 104 V 8.92 4.54 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 0.87 0.00 0.00 0.97 0.00 0.00 105 G 9.25 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 0.00 106 A 8.09 4.44 1.33 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 0.00 0.00 107 I 7.24 4.34 1.92 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 1.72 1.15 0.94 0.00 0.00 108 K 8.32 3.93 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.53 7.81 109 E 8.13 3.97 0.00 2.24 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 0.00 2.37 2.44 0.00 110 E 8.08 3.91 0.00 2.07 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 2.38 2.36 0.00 111 L 7.90 3.99 0.00 1.57 1.66 0.71 0.06 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 0.00 112 T 8.01 3.86 4.26 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 1.27 0.00 0.00 113 A 8.07 3.99 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 0.00 114 K 8.24 3.77 0.00 1.73 1.12 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.45 7.81 115 V 8.19 3.83 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 0.45 0.00 0.00 1.19 0.00 0.00 116 G 7.62 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 0.00 117 L 7.86 4.02 0.00 1.72 1.65 0.82 0.63 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 0.00 118 H 8.23 4.17 0.00 3.29 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.04 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 0.00 120 A 7.46 4.39 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 0.00 121 A 7.14 3.88 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 *122 Q 8.59 4.15 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.