NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.3852 0.0000 0.0000 62.1725 31.4777 174.6621 23 F 4.0851 8.5104 128.0119 56.7354 40.0947 173.0348 24 R 4.3675 8.0545 124.2345 53.8438 33.2139 174.6695 25 F 4.6690 7.9768 117.6889 56.9584 39.2929 175.9941 26 S 4.3167 8.4598 119.3075 58.0030 63.2095 174.0759 27 P 4.4678 0.0000 0.0000 65.2230 31.3703 176.0633 28 E 4.8021 7.2961 115.7526 53.9157 32.4683 173.0858 29 P 4.5358 0.0000 0.0000 62.7149 32.3417 177.0977 30 T 4.0946 8.3649 116.8401 63.2114 70.4322 175.4519 31 L 3.9405 8.5348 123.0934 58.4264 41.6705 179.6910 32 E 3.9981 8.1264 118.3432 59.3130 29.5655 178.4665 33 D 4.3601 7.9028 118.5606 57.2041 40.9339 178.5431 34 I 3.5981 7.8456 120.2967 64.3395 37.0736 178.0187 35 R 3.8551 8.2464 119.9821 59.8225 29.8677 178.2662 36 R 3.8941 8.0663 117.9431 59.4291 30.0378 178.4665 37 L 3.9984 8.2991 119.2157 58.0429 41.5346 179.0224 38 H 3.9988 8.6774 118.4316 59.1018 29.8217 177.0223 39 A 3.8667 8.3707 122.9535 55.3005 18.0194 179.5309 40 E 3.9206 8.0973 116.4760 59.3919 29.3397 179.1633 41 F 3.9530 8.0197 119.2659 61.3361 39.7231 176.6724 42 A 3.6623 8.5873 120.9118 55.0369 17.9283 179.4886 43 A 4.2656 8.3540 118.7674 54.7217 18.5351 178.6846 44 E 4.2991 7.6073 113.8029 57.2481 30.4452 175.8257 45 R 4.6999 7.3107 118.9261 53.9857 33.2864 174.3742 46 D 4.4874 8.7124 118.1386 54.4876 41.5635 175.7448 47 W 4.4569 9.0632 135.0000 60.1089 31.0261 176.6203 48 E 4.6447 8.1586 113.1270 55.8568 29.7285 177.1631 49 Q 3.7140 8.2887 122.4569 59.0441 28.9424 177.2697 50 F 4.6339 7.5236 112.7414 57.6758 39.7355 175.8138 51 H 4.5794 7.5491 115.9907 55.5284 30.2773 174.6266 52 Q 4.1891 7.6846 120.8358 54.8747 29.2200 175.2540 53 P 4.2545 0.0000 0.0000 65.8195 31.3683 178.9934 54 R 4.2151 7.9195 116.1350 58.7026 29.9420 178.5986 55 N 4.2045 8.0570 116.2741 56.3290 38.5292 177.1499 56 L 3.8611 7.7484 120.1266 57.5415 41.6378 179.2331 57 L 3.8986 8.3307 120.6777 58.3213 41.9985 179.1694 58 L 3.9576 8.1539 118.8050 57.4624 41.4840 179.3734 59 A 3.6471 8.0021 121.2657 54.6350 18.0564 179.1970 60 L 3.9269 7.7741 119.0098 58.4755 42.1530 179.1326 61 V 3.6626 8.0989 118.5176 66.3248 31.2753 178.2992 62 G 3.5522 8.1071 105.1976 47.6612 0.0000 175.3796 63 E 4.0085 8.2882 121.7302 59.0638 29.6330 179.0695 64 V 3.7845 8.3637 118.9717 65.7315 31.6369 178.3300 65 G 3.5690 8.3631 105.8874 47.5952 0.0000 175.4432 66 E 4.0069 8.2783 120.4290 59.1814 29.7858 178.9438 67 L 4.2302 7.9618 119.6337 58.2910 42.3548 178.6980 68 A 4.0924 8.2549 120.7716 55.5669 17.9970 179.5081 69 E 4.2165 7.7825 117.0144 58.7594 29.5244 179.2108 70 L 3.9539 7.7306 118.7226 57.2004 42.0087 178.6051 71 F 4.6426 8.0349 115.7629 57.7166 39.3803 177.6172 72 Q 3.6584 7.6029 117.4434 58.6004 28.0634 178.3960 73 W 5.0871 7.5204 114.4493 55.8214 29.5608 175.9371 74 K 4.4392 7.9730 119.8812 55.6945 31.5196 177.1788 75 S 4.2531 9.0498 121.1013 59.3988 63.2166 174.8293 76 D 4.7162 8.7720 122.0563 55.7890 40.8048 176.9409 77 T 4.4284 7.7474 115.1000 63.5312 70.3339 174.2891 78 E 4.4611 7.9372 118.7665 53.9633 31.2731 174.0416 79 P 4.3149 0.0000 0.0000 62.5494 31.7629 177.2449 80 G 3.9682 8.5069 111.7640 44.1386 0.0000 172.3149 81 P 2.0000 0.0000 0.0000 64.7576 31.1910 179.2437 82 Q 3.7515 7.7572 115.6749 58.3038 28.6617 176.8560 83 A 4.5302 7.8211 118.4470 51.5139 19.3183 177.2500 84 W 4.5992 7.5861 116.7077 55.9657 29.8929 175.1217 85 P 4.4582 0.0000 0.0000 62.1109 32.7753 175.8145 86 P 4.2761 0.0000 0.0000 66.0420 31.2750 179.1952 87 K 4.0542 8.0242 116.5552 59.5589 31.9685 179.1271 88 E 4.0401 8.1226 118.3984 59.2146 29.3877 179.4075 89 R 4.0182 8.4599 118.1813 59.1460 30.1584 178.7466 90 A 3.9822 8.5628 120.7177 55.2299 18.2997 179.4664 91 A 3.9409 8.0638 119.1045 55.2190 18.4419 179.5206 92 L 3.9883 8.2374 118.8784 58.4913 42.2066 179.0814 93 Q 3.9994 8.3066 118.0520 59.0728 28.6348 178.9177 94 E 3.9363 8.1427 119.2616 59.5314 29.4899 179.2197 95 E 4.0093 8.4542 118.7646 59.4344 29.6208 179.4314 96 L 3.9920 8.0946 118.8907 57.9686 41.6575 179.6353 97 S 4.0371 8.0725 114.9012 61.9133 62.7885 176.6935 98 D 4.0929 8.4517 121.7734 57.1022 40.4849 178.8381 99 V 3.6708 8.0977 119.1640 66.0606 31.4719 177.9445 100 L 3.9111 7.6952 119.7001 58.0600 41.8820 178.7672 101 I 3.4829 7.6872 119.8833 64.7682 37.0057 178.0832 102 Y 4.3017 7.5657 117.3378 60.8156 37.6251 178.3873 103 L 3.9594 8.1864 121.4725 58.1276 42.2519 179.1732 104 V 3.5482 8.1915 118.3953 65.9896 31.4493 177.8505 105 A 3.9569 8.2609 120.9068 54.8790 18.1889 179.3906 106 L 3.8539 8.4264 119.0587 58.2508 42.1568 178.9520 107 A 3.9950 8.4455 120.9032 55.1046 18.2189 179.4379 108 A 3.9321 8.4328 119.5290 55.5020 18.3309 179.7195 109 R 3.8705 8.1989 116.1117 59.6564 30.1471 177.5044 110 C 4.3579 7.9575 113.4295 59.0235 28.9336 172.8939 111 H 4.1031 8.2494 117.2751 56.8963 26.4171 175.0361 112 V 4.2059 7.8827 118.2243 61.3353 32.8125 175.9502 113 D 4.5945 8.4237 126.8911 52.9238 39.8825 175.9001 114 L 3.9303 8.2124 126.8157 57.5065 42.0281 176.3646 115 P 4.2515 0.0000 0.0000 65.8783 31.3864 178.6794 116 Q 4.0837 8.2366 116.0602 58.8011 28.6657 178.3865 117 A 4.0603 8.2793 122.1944 54.8895 18.1221 179.8129 118 V 3.5432 7.7830 116.4795 66.2123 31.6297 178.0937 119 I 3.8732 7.1148 117.4176 64.4118 37.2993 178.0383 120 S 4.2805 7.9566 113.5752 60.8999 62.1796 176.1777 121 K 4.1600 8.0727 121.8326 56.7248 32.0800 178.3698 *123 D 4.5730 8.1006 118.7193 54.2615 43.0709 178.0843 124 T 3.8898 7.9617 115.5851 66.7159 68.2946 176.3996 125 N 4.3441 8.6567 118.6738 56.3650 38.4031 177.2607 126 R 3.8737 7.9736 118.2346 59.6962 30.1595 177.8087 127 Q 4.1214 8.0720 118.1858 59.1768 29.1499 177.9535 128 R 4.2236 8.5054 118.7806 57.5421 31.3716 176.2369 129 Y 4.8226 7.9613 119.7554 54.6229 38.3676 172.7650 130 P 4.4487 0.0000 0.0000 61.8076 32.5632 177.1280 131 V 3.8134 8.0551 114.8607 61.5926 32.2476 175.3770 132 H 4.6963 8.5616 119.8430 54.7668 29.8723 175.4384 133 L 4.6440 8.0586 124.3926 53.1254 44.1230 176.7929 134 S 4.3104 8.6252 114.7645 59.7307 62.7120 174.4509 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 22 P 0.00 4.39 0.00 2.17 2.17 0.00 3.75 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 1.88 1.95 0.00 23 F 8.51 4.09 0.00 3.06 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 24 R 8.05 4.37 0.00 1.71 1.65 0.00 2.99 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.43 0.00 25 F 7.98 4.67 0.00 2.94 2.86 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 26 S 8.46 4.32 0.00 3.86 3.84 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 27 P 0.00 4.47 0.00 2.17 2.18 0.00 3.76 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 1.97 1.94 0.00 28 E 7.30 4.80 0.00 2.23 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 2.20 2.23 0.00 29 P 0.00 4.54 0.00 2.16 2.06 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 30 T 8.36 4.09 4.38 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 1.23 0.00 0.00 31 L 8.53 3.94 0.00 1.68 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.13 4.00 0.00 2.07 1.94 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 2.38 2.46 0.00 33 D 7.90 4.36 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 34 I 7.85 3.60 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.82 0.00 0.00 35 R 8.25 3.86 0.00 1.89 2.10 0.00 3.12 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 1.66 1.69 0.00 36 R 8.07 3.89 0.00 1.94 2.17 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 37 L 8.30 4.00 0.00 1.86 1.66 0.88 0.82 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 38 H 8.68 4.00 0.00 3.10 3.38 0.00 5.79 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 39 A 8.37 3.87 1.43 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 0.00 0.00 40 E 8.10 3.92 0.00 2.26 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 2.51 2.48 0.00 41 F 8.02 3.95 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 42 A 8.59 3.66 1.16 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 0.00 0.00 43 A 8.35 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.30 0.00 1.99 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 2.45 2.22 0.00 45 R 7.31 4.70 0.00 1.40 2.00 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.23 0.00 46 D 8.71 4.49 0.00 2.71 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 47 W 9.06 4.46 0.00 3.45 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 48 E 8.16 4.64 0.00 2.25 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 2.46 2.34 0.00 49 Q 8.29 3.71 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 50 F 7.52 4.63 0.00 2.93 3.04 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 51 H 7.55 4.58 0.00 2.64 3.18 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.68 4.19 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 53 P 0.00 4.25 0.00 2.15 2.10 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 54 R 7.92 4.22 0.00 1.82 1.94 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 55 N 8.06 4.20 0.00 2.94 2.75 0.00 0.00 7.18 6.74 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 56 L 7.75 3.86 0.00 1.89 1.75 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.33 3.90 0.00 1.76 1.80 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.15 3.96 0.00 1.81 1.61 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.00 3.65 0.36 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 60 L 7.77 3.93 0.00 1.89 1.84 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.10 3.66 2.19 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 0.93 0.00 0.00 0.99 0.00 0.00 62 G 8.11 3.55 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 0.00 0.00 0.00 0.00 63 E 8.29 4.01 0.00 2.43 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 0.00 2.42 2.44 0.00 64 V 8.36 3.78 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 1.03 0.00 0.00 0.99 0.00 0.00 65 G 8.36 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 0.00 0.00 0.00 66 E 8.28 4.01 0.00 2.16 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 2.51 2.69 0.00 67 L 7.96 4.23 0.00 2.12 1.89 1.10 1.10 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 68 A 8.25 4.09 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 69 E 7.78 4.22 0.00 2.14 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 2.28 2.50 0.00 70 L 7.73 3.95 0.00 1.83 1.58 1.05 0.82 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 71 F 8.03 4.64 0.00 3.12 3.15 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 0.00 0.00 0.00 0.00 72 Q 7.60 3.66 0.00 1.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.75 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 73 W 7.52 5.09 0.00 3.27 3.11 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 74 K 7.97 4.44 0.00 2.11 1.99 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.65 7.81 75 S 9.05 4.25 0.00 3.99 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 76 D 8.77 4.72 0.00 2.72 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 77 T 7.75 4.43 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 1.24 0.00 0.00 78 E 7.94 4.46 0.00 2.13 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 2.57 2.44 0.00 79 P 0.00 4.31 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 80 G 8.51 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 81 P 0.00 2.00 0.00 1.63 0.74 0.00 3.40 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 1.95 1.67 0.00 82 Q 7.76 3.75 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 83 A 7.82 4.53 1.30 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 0.00 0.00 84 W 7.59 4.60 0.00 3.40 3.04 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 85 P 0.00 4.46 0.00 2.14 1.97 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 86 P 0.00 4.28 0.00 2.17 2.14 0.00 3.62 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 87 K 8.02 4.05 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 88 E 8.12 4.04 0.00 2.21 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 0.00 2.15 2.27 0.00 89 R 8.46 4.02 0.00 2.04 2.01 0.00 3.38 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 90 A 8.56 3.98 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 91 A 8.06 3.94 1.43 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 0.00 0.00 92 L 8.24 3.99 0.00 2.09 2.00 1.09 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.31 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 94 E 8.14 3.94 0.00 2.22 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 2.33 2.62 0.00 95 E 8.45 4.01 0.00 2.03 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 0.00 2.61 2.57 0.00 96 L 8.09 3.99 0.00 1.68 1.71 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.07 4.04 0.00 3.99 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 98 D 8.45 4.09 0.00 2.93 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 99 V 8.10 3.67 2.26 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 1.02 0.00 0.00 1.01 0.00 0.00 100 L 7.70 3.91 0.00 1.77 1.72 0.88 0.97 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 0.00 101 I 7.69 3.48 1.37 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.45 0.00 0.00 102 Y 7.57 4.30 0.00 3.13 2.94 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 0.00 103 L 8.19 3.96 0.00 1.83 1.83 0.93 0.73 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 0.00 104 V 8.19 3.55 2.24 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 0.89 0.00 0.00 0.90 0.00 0.00 105 A 8.26 3.96 1.21 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 0.00 106 L 8.43 3.85 0.00 1.90 1.90 0.95 0.93 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 0.00 107 A 8.45 3.99 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 0.00 108 A 8.43 3.93 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 0.00 109 R 8.20 3.87 0.00 1.84 2.20 0.00 3.35 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 110 C 7.96 4.36 0.00 3.15 2.96 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 0.00 111 H 8.25 4.10 0.00 3.25 3.36 0.00 5.65 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.88 4.21 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 0.76 0.00 0.00 1.00 0.00 0.00 113 D 8.42 4.59 0.00 2.83 2.57 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 0.00 114 L 8.21 3.93 0.00 1.80 1.66 0.93 0.97 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 0.00 115 P 0.00 4.25 0.00 2.20 2.09 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 116 Q 8.24 4.08 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 117 A 8.28 4.06 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 0.00 118 V 7.78 3.54 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 0.88 0.00 0.00 0.99 0.00 0.00 119 I 7.11 3.87 1.99 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 1.40 0.65 0.91 0.00 0.00 120 S 7.96 4.28 0.00 3.91 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 0.00 121 K 8.07 4.16 0.00 2.02 1.90 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.53 7.81 *123 D 8.10 4.57 0.00 2.92 2.74 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 0.00 0.00 0.00 0.00 124 T 7.96 3.89 4.38 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 1.22 0.00 0.00 125 N 8.66 4.34 0.00 2.74 2.90 0.00 0.00 6.65 7.58 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 0.00 126 R 7.97 3.87 0.00 1.79 2.15 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 127 Q 8.07 4.12 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 128 R 8.51 4.22 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 129 Y 7.96 4.82 0.00 2.80 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 0.00 130 P 0.00 4.45 0.00 2.07 1.97 0.00 3.81 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 2.04 2.26 0.00 131 V 8.06 3.81 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 0.62 0.00 0.00 0.91 0.00 0.00 132 H 8.56 4.70 0.00 3.17 3.26 0.00 5.68 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 0.00 133 L 8.06 4.64 0.00 1.64 1.64 0.92 0.92 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 0.00 134 S 8.63 4.31 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.