NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7051 8.4444 117.3755 54.3516 30.4142 173.0847 1 M 4.2517 7.8128 118.7120 53.2349 33.3260 172.8947 2 A 4.9092 8.1666 127.3280 50.1193 23.4992 174.8055 3 V 4.5838 7.7645 116.1135 59.0977 34.5066 176.6408 4 I 3.8240 8.3238 120.4302 64.2431 37.6333 177.9372 5 D 4.4074 8.1295 119.4989 57.0186 40.4517 177.9957 6 D 4.4863 7.8842 118.9567 57.3966 41.2415 178.3062 7 F 4.3504 8.3894 122.8261 62.1158 39.3422 177.4274 8 E 4.0018 8.4351 116.6074 60.9461 29.4279 180.7199 9 K 4.2874 7.4373 114.9947 58.3808 32.4725 177.8305 10 L 3.9375 7.1249 119.3420 54.4985 42.1773 176.1374 11 D 4.5309 8.8092 123.7918 52.9363 42.1394 174.4077 12 I 4.8417 7.8495 126.9692 59.6038 39.4551 175.1789 13 R 5.3263 8.9761 125.7124 54.4986 34.7688 174.7936 14 T 4.9286 9.0497 112.1766 61.7236 70.9372 173.7622 15 G 3.8315 8.5644 108.8795 45.5138 0.0000 171.7301 16 T 4.9893 7.9900 116.8165 61.1794 71.3468 174.2630 17 I 4.0256 8.6579 128.2768 61.9643 37.3866 177.0008 18 V 4.4156 8.8409 120.8866 62.0270 33.3426 176.5580 19 K 4.7862 7.7725 118.0240 54.9869 36.6340 175.0569 20 A 5.2116 8.3487 123.7339 50.7714 22.6362 175.4549 21 E 4.6194 9.1370 122.3967 54.9579 34.1320 175.5126 22 E 4.1623 9.0445 122.0450 57.4524 30.5951 174.3353 23 F 5.2633 8.9037 125.5016 55.4526 38.8354 173.4190 24 P 4.5996 0.0000 0.0000 63.5055 32.3027 178.1360 25 E 4.0516 8.2018 117.6493 58.2587 29.8519 176.9970 26 A 3.7067 6.6202 123.4636 52.0818 18.8713 178.4681 27 R 3.9330 8.4940 121.0337 58.4491 29.7679 175.5395 28 V 4.1969 7.3432 118.0850 60.1047 32.4987 173.3561 29 P 4.2972 0.0000 0.0000 63.6467 31.8373 175.2434 30 A 4.9540 8.4780 123.9032 50.7632 23.6810 174.1846 31 I 5.0252 8.8249 119.2671 59.4709 40.8950 175.6550 32 K 4.3173 9.1015 127.1291 56.0584 33.1383 175.9324 33 L 5.2476 9.5597 125.5442 52.8561 45.0491 175.4935 34 V 4.9115 8.9027 123.1112 61.2041 34.2124 174.2566 35 I 4.8108 8.8122 128.4696 59.4124 40.8587 173.9877 36 D 4.7964 8.8091 127.7302 53.4319 41.5720 176.0182 37 F 4.5142 9.2949 124.6943 57.3177 40.5125 176.8714 38 G 3.9838 8.6351 107.9779 44.5161 0.0000 174.6784 39 T 3.8625 8.3897 110.1514 65.3553 69.0847 176.4839 40 E 4.1310 8.2418 117.0459 58.7933 30.1324 180.1353 41 I 3.8725 7.8421 119.2120 62.5961 37.9549 176.9800 42 G 3.8207 8.5127 107.6728 44.2196 0.0000 171.0811 43 I 4.6856 8.0705 119.5458 60.7767 37.9969 175.8605 44 K 4.9597 9.5125 125.8049 54.8268 36.4127 175.2834 45 Q 5.2795 9.5252 121.0769 54.8590 31.8643 174.6945 46 S 4.9758 9.0727 114.7354 57.1693 66.5142 172.5071 47 S 5.2783 8.9540 121.5228 56.8697 63.5861 172.9767 48 A 4.6972 9.0794 129.0916 50.0136 21.6533 175.9556 49 Q 4.4628 8.6347 124.0260 54.2145 26.9219 175.7952 50 I 4.7549 7.4248 112.1493 60.6341 38.8034 178.3820 51 T 4.2385 8.1490 111.6875 64.1762 69.2533 175.5201 52 K 4.0767 8.3082 123.3515 59.0814 32.2523 177.3428 53 R 4.3872 7.9195 113.3236 55.7336 31.6768 175.1733 54 Y 4.8744 7.4971 113.7558 55.8406 41.3369 175.0221 55 K 4.7533 8.3388 121.2449 53.6563 35.6570 175.3036 56 P 4.2923 0.0000 0.0000 65.9093 31.1220 178.5603 57 E 4.2683 8.2647 113.0445 57.8581 29.7099 177.8026 58 G 4.0217 7.8565 105.6832 45.0098 0.0000 174.5465 59 L 4.4606 7.9734 121.5632 54.5332 42.4127 176.7669 60 I 4.0342 7.1865 119.8478 62.6063 37.4534 175.9789 61 N 4.5316 9.2991 121.7489 53.0165 37.1732 174.7291 62 K 4.2423 7.6414 118.6710 56.2905 33.4364 176.0979 63 Q 4.7335 8.5753 123.5893 55.4316 29.8293 175.4718 64 V 4.7237 9.1654 116.7385 59.5259 36.5005 174.2691 65 I 5.1263 8.1918 120.9523 59.7314 40.0380 174.9497 66 A 5.1451 8.9871 127.3382 50.3865 23.3596 175.0132 67 V 4.0051 8.5388 121.0048 62.5452 32.1904 176.8162 68 V 4.0155 8.5606 121.2491 60.5093 32.6456 176.2547 69 N 4.8475 7.4648 117.7469 52.3304 37.7174 174.6536 70 F 5.0017 7.7094 116.3876 56.6316 40.4135 174.1649 71 P 4.4190 0.0000 0.0000 62.1734 31.7385 174.7487 72 P 4.7474 0.0000 0.0000 63.0925 32.3446 175.6141 73 R 4.7570 8.7952 119.4731 54.5361 34.5108 174.7946 74 R 4.8504 8.5893 120.6313 55.2658 31.3412 176.4134 75 I 4.1942 9.2306 126.9818 60.1215 37.3750 175.7953 76 A 3.5367 9.7316 130.1827 53.1267 15.8984 177.8930 77 G 4.0206 8.8123 106.6869 46.5951 0.0000 173.6008 78 F 4.7162 8.1025 122.8596 55.7914 40.7383 174.2711 79 K 4.4097 7.9938 129.7558 56.4887 32.7046 175.5992 80 S 4.7511 9.2656 124.0309 56.9983 63.6059 173.9076 81 E 4.8466 9.4024 126.1801 56.0837 31.3351 176.5096 82 V 4.5566 7.7048 117.8666 59.8332 35.0101 174.5833 83 L 4.6062 8.7445 125.7950 53.5700 43.3748 175.2915 84 V 4.3930 8.4021 127.4307 62.5419 32.3900 175.2431 85 L 4.5925 9.3203 128.7385 54.1958 43.1925 176.0484 86 G 4.4708 8.4376 108.4432 44.6045 0.0000 172.7699 87 G 3.8812 9.6458 109.8179 46.2762 0.0000 172.8755 88 I 4.9534 8.1381 123.1306 57.3495 38.2226 173.9711 89 P 4.5495 0.0000 0.0000 61.4481 31.3410 176.0175 90 G 4.1704 7.6979 104.7360 42.4220 0.0000 173.4368 91 Q 4.0435 8.4593 121.1137 57.7031 28.8817 176.7318 92 G 3.9147 8.8788 112.0242 45.9698 0.0000 171.9358 93 D 5.0354 7.9981 119.8060 52.3794 43.5335 175.3717 94 V 4.8126 8.3453 123.9373 61.2563 35.0194 174.2460 95 V 4.5866 8.7887 127.7651 60.9043 33.4741 174.8438 96 L 4.6132 9.0901 129.0411 54.7805 42.1593 177.3898 97 L 4.5254 8.5419 122.7678 54.8254 42.4324 176.5429 98 Q 4.6099 8.3209 118.4534 53.7155 31.4786 172.8428 99 P 4.4418 0.0000 0.0000 62.8913 31.9442 176.6639 100 D 4.5842 8.5766 118.7960 54.2195 39.9618 175.8802 101 Q 4.6193 7.2652 116.5686 54.2485 31.5690 172.5551 102 P 4.4187 0.0000 0.0000 62.7935 31.9974 176.4499 103 V 4.5617 7.6710 114.6394 58.4890 35.0986 174.0352 104 P 4.3685 0.0000 0.0000 62.6111 31.5410 175.9861 105 N 4.2957 8.4975 118.6514 54.9505 38.9911 176.1089 106 G 4.1679 9.1047 109.7597 46.8125 0.0000 173.5338 107 T 4.0996 7.5202 117.0543 63.0814 69.3778 173.9093 108 K 4.6443 8.6453 127.9827 56.3382 33.2379 175.9320 109 I 4.3158 8.6371 128.6752 60.3864 38.3109 176.3434 110 G 3.9412 8.5007 114.5013 46.0283 0.0000 172.1929 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 *0 H 8.44 4.71 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.81 4.25 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 2 A 8.17 4.91 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 3 V 7.76 4.58 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 1.08 0.00 0.00 4 I 8.32 3.82 1.89 0.00 0.00 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 1.66 1.88 0.95 0.00 0.00 5 D 8.13 4.41 0.00 2.75 2.72 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 0.00 0.00 0.00 0.00 6 D 7.88 4.49 0.00 3.01 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 7 F 8.39 4.35 0.00 3.14 3.25 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 8 E 8.44 4.00 0.00 2.09 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 2.26 2.23 0.00 9 K 7.44 4.29 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.69 7.81 10 L 7.12 3.94 0.00 1.31 1.30 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.81 4.53 0.00 2.64 2.37 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 12 I 7.85 4.84 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.91 0.00 0.00 13 R 8.98 5.33 0.00 1.60 1.88 0.00 3.43 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 14 T 9.05 4.93 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 1.30 0.00 0.00 15 G 8.56 3.83 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 0.00 0.00 0.00 16 T 7.99 4.99 4.14 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 1.18 0.00 0.00 17 I 8.66 4.03 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 0.91 0.00 0.00 18 V 8.84 4.42 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 0.65 0.00 0.00 0.94 0.00 0.00 19 K 7.77 4.79 0.00 1.65 1.62 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.44 7.81 20 A 8.35 5.21 1.15 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 0.00 0.00 21 E 9.14 4.62 0.00 1.65 1.63 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 2.15 2.29 0.00 22 E 9.04 4.16 0.00 1.75 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 2.24 1.91 0.00 23 F 8.90 5.26 0.00 2.88 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 24 P 0.00 4.60 0.00 2.22 2.17 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 25 E 8.20 4.05 0.00 2.18 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 2.41 2.43 0.00 26 A 6.62 3.71 0.49 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 27 R 8.49 3.93 0.00 1.84 1.86 0.00 3.25 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 28 V 7.34 4.20 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 0.96 0.00 0.00 0.90 0.00 0.00 29 P 0.00 4.30 0.00 1.97 2.01 0.00 3.68 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 2.03 2.10 0.00 30 A 8.48 4.95 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 31 I 8.82 5.03 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.92 0.00 0.00 32 K 9.10 4.32 0.00 1.20 0.92 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.35 7.81 33 L 9.56 5.25 0.00 1.59 1.54 0.91 0.61 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 34 V 8.90 4.91 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 0.98 0.00 0.00 1.01 0.00 0.00 35 I 8.81 4.81 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.54 -0.01 0.00 0.00 36 D 8.81 4.80 0.00 2.72 2.44 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 0.00 0.00 0.00 0.00 37 F 9.29 4.51 0.00 3.14 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 38 G 8.64 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.39 3.86 4.25 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 1.22 0.00 0.00 40 E 8.24 4.13 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 2.23 1.90 0.00 41 I 7.84 3.87 1.93 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 1.24 0.91 0.74 0.00 0.00 42 G 8.51 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 43 I 8.07 4.69 1.89 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 1.36 0.88 0.93 0.00 0.00 44 K 9.51 4.96 0.00 1.94 1.73 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.39 7.81 45 Q 9.53 5.28 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 46 S 9.07 4.98 0.00 3.99 3.75 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 47 S 8.95 5.28 0.00 4.39 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 48 A 9.08 4.70 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 49 Q 8.63 4.46 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.40 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 50 I 7.42 4.75 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.90 0.00 0.00 51 T 8.15 4.24 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 1.25 0.00 0.00 52 K 8.31 4.08 0.00 1.90 1.89 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 53 R 7.92 4.39 0.00 1.19 1.30 0.00 3.32 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 54 Y 7.50 4.87 0.00 3.21 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 55 K 8.34 4.75 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 56 P 0.00 4.29 0.00 2.15 2.15 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 57 E 8.26 4.27 0.00 2.12 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 2.29 2.32 0.00 58 G 7.86 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 0.00 0.00 0.00 59 L 7.97 4.46 0.00 1.85 1.67 0.90 0.47 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 60 I 7.19 4.03 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 1.40 0.32 0.90 0.00 0.00 61 N 9.30 4.53 0.00 2.84 3.02 0.00 0.00 7.07 7.49 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 62 K 7.64 4.24 0.00 1.86 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.43 7.81 63 Q 8.58 4.73 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 64 V 9.17 4.72 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 0.63 0.00 0.00 0.91 0.00 0.00 65 I 8.19 5.13 1.91 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 1.46 1.07 0.96 0.00 0.00 66 A 8.99 5.15 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 67 V 8.54 4.01 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 -0.16 0.00 0.00 0.76 0.00 0.00 68 V 8.56 4.02 1.62 0.00 0.00 0.00 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 0.71 0.00 0.00 69 N 7.46 4.85 0.00 2.70 2.71 0.00 0.00 6.09 7.43 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 70 F 7.71 5.00 0.00 3.03 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 71 P 0.00 4.42 0.00 2.04 2.00 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 72 P 0.00 4.75 0.00 2.05 2.03 0.00 3.71 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 1.97 1.98 0.00 73 R 8.80 4.76 0.00 1.83 1.83 0.00 3.21 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 74 R 8.59 4.85 0.00 1.72 1.93 0.00 3.36 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 75 I 9.23 4.19 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 1.00 0.00 0.00 76 A 9.73 3.54 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 77 G 8.81 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 0.00 0.00 0.00 78 F 8.10 4.72 0.00 2.91 3.20 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 0.00 79 K 7.99 4.41 0.00 1.63 1.39 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.34 7.81 80 S 9.27 4.75 0.00 4.05 3.79 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 81 E 9.40 4.85 0.00 1.92 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 2.17 2.12 0.00 82 V 7.70 4.56 1.95 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 0.89 0.00 0.00 0.65 0.00 0.00 83 L 8.74 4.61 0.00 2.09 1.75 1.03 1.28 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 84 V 8.40 4.39 2.12 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 0.83 0.00 0.00 1.01 0.00 0.00 85 L 9.32 4.59 0.00 1.63 1.60 0.97 0.67 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 86 G 8.44 4.47 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 0.00 87 G 9.65 3.88 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 0.00 0.00 0.00 88 I 8.14 4.95 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 1.39 2.09 1.00 0.00 0.00 89 P 0.00 4.55 0.00 2.17 2.07 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 90 G 7.70 4.17 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 0.00 91 Q 8.46 4.04 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 92 G 8.88 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 93 D 8.00 5.04 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 94 V 8.35 4.81 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 0.90 0.00 0.00 1.03 0.00 0.00 95 V 8.79 4.59 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 1.00 0.00 0.00 0.97 0.00 0.00 96 L 9.09 4.61 0.00 1.54 1.53 0.29 1.01 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 97 L 8.54 4.53 0.00 1.56 1.62 0.96 0.72 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 98 Q 8.32 4.61 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 99 P 0.00 4.44 0.00 2.58 2.23 0.00 3.43 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 100 D 8.58 4.58 0.00 2.82 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 0.00 101 Q 7.27 4.62 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 102 P 0.00 4.42 0.00 2.06 2.02 0.00 3.62 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 2.02 2.10 0.00 103 V 7.67 4.56 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 0.77 0.00 0.00 0.94 0.00 0.00 104 P 0.00 4.37 0.00 2.18 1.98 0.00 3.61 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 2.12 0.00 105 N 8.50 4.30 0.00 2.74 2.77 0.00 0.00 7.06 7.89 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 0.00 106 G 9.10 4.17 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 0.00 107 T 7.52 4.10 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 1.23 0.00 0.00 108 K 8.65 4.64 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.60 7.81 109 I 8.64 4.32 1.93 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 1.22 0.62 1.10 0.00 0.00 110 G 8.50 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 * Residues marked with a * may have inaccurate shift predictions.