NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3472 8.2644 123.5834 52.5696 19.1765 175.7413 2 T 4.6046 8.3578 115.9001 61.6949 70.1079 171.6800 3 K 5.3635 8.3927 121.5280 55.0613 37.2488 174.5347 4 A 5.3857 9.1411 124.2693 51.0509 23.5029 174.9755 5 V 4.9880 8.6572 116.8860 61.1878 35.3173 172.9206 6 C 4.9123 9.2197 122.1472 58.0728 35.4254 172.5755 7 V 4.6226 8.4743 125.9028 61.4918 33.2189 174.0709 8 L 4.9827 8.9894 129.1156 53.6794 43.2482 176.0614 9 K 4.8428 9.0921 122.1563 55.4419 37.0522 176.3163 10 G 4.0533 7.9895 108.6163 45.3659 0.0000 171.9545 11 D 4.5644 8.8375 118.0703 55.5162 42.0197 176.9973 12 G 4.2732 7.6883 109.1749 44.2933 0.0000 171.7579 13 P 4.4810 0.0000 0.0000 63.1544 32.1288 176.2878 14 V 4.1340 7.5565 120.7867 63.2319 31.9310 174.9238 15 Q 4.8099 8.4380 124.8401 55.2640 32.5527 173.8644 16 G 4.0534 7.7913 106.3408 46.5812 0.0000 171.4600 17 I 5.1815 7.7200 119.2609 59.4574 40.8789 175.0861 18 I 4.4737 8.8768 127.5691 59.4632 40.3215 174.3962 19 N 5.0633 8.4097 123.5845 51.3528 41.4514 173.8029 20 F 5.4489 9.0208 119.6330 55.9758 43.7035 173.7093 21 E 5.2269 9.5183 122.2931 55.0802 33.5328 173.7189 22 Q 4.8443 9.3221 127.9196 54.4137 30.8552 174.8131 23 K 4.1952 9.0094 127.3487 58.6759 32.8905 177.4879 24 E 4.7469 7.8001 118.0418 53.8524 32.6333 176.1722 25 S 4.2729 8.8042 119.7184 60.7542 63.3292 175.0458 26 N 4.4727 8.1720 117.9322 54.7542 37.7715 175.4528 27 G 3.8564 7.5401 106.9287 44.2599 0.0000 170.6829 28 P 4.6698 0.0000 0.0000 62.7674 32.5393 175.7513 29 V 4.5952 8.7982 121.0308 61.2821 33.5881 174.7297 30 K 4.8899 9.4684 128.3622 55.9671 33.7780 176.0209 31 V 4.9170 9.3682 124.8896 60.8329 34.5133 174.2298 32 W 5.4634 8.1993 123.5840 55.0510 31.7899 175.1605 33 G 3.8328 7.6525 106.8507 46.3719 0.0000 170.8810 34 S 5.0738 7.6175 114.8374 56.9418 66.5307 174.3469 35 I 5.0374 8.9625 127.1728 59.3425 40.8406 174.6952 36 K 4.6902 9.1621 125.2514 55.4311 36.2386 176.7523 37 G 3.6753 8.8246 105.4793 45.8467 0.0000 173.2053 38 L 4.6263 7.7883 119.5324 52.5268 43.6228 176.2417 39 T 4.2857 8.2059 111.4171 60.9268 69.5873 174.0624 40 E 3.8999 8.7548 124.6084 57.7574 30.1980 175.0874 41 G 3.7490 8.7525 110.9637 43.8115 0.0000 172.0960 42 L 4.7805 8.2602 119.0919 54.9844 42.5064 176.6780 43 H 4.9194 9.2953 119.9690 53.4820 33.3260 173.2232 44 G 4.0483 9.1296 110.5927 46.7265 0.0000 172.1176 45 F 5.7092 9.2774 126.2019 56.6227 42.3636 173.7479 46 R 4.8331 8.7861 124.4478 54.6979 35.2224 174.2867 47 V 4.5681 8.6214 122.6855 62.2282 33.2305 174.6797 48 H 5.2611 9.4055 124.9862 53.9209 31.3185 175.1113 49 E 3.6562 8.9303 122.6568 58.9466 29.5721 177.1855 50 F 4.9343 7.9023 117.9404 54.8424 41.5483 176.9379 51 G 4.2367 8.3550 112.7056 44.4522 0.0000 174.2052 52 D 4.8310 7.9404 117.8715 52.7045 42.4564 174.8308 53 N 5.4776 8.6897 125.1954 52.1212 39.5412 176.3755 54 T 3.9447 8.4626 111.5048 63.9017 68.9574 174.3392 55 A 4.6910 7.7798 125.0165 51.3897 20.1427 177.6475 56 G 3.8101 8.0266 110.4771 47.6717 0.0000 175.7261 57 C 4.2027 8.5171 115.7537 62.7805 28.0188 175.7340 58 T 3.9374 7.9180 117.7176 66.4062 67.8843 175.6587 59 S 4.4674 7.9001 112.5473 59.3465 63.8009 175.3298 60 A 4.4429 7.4854 126.6762 54.4497 18.3307 178.5991 61 G 4.1183 8.0849 105.7640 44.4921 0.0000 171.0255 62 P 4.6970 0.0000 0.0000 61.8096 33.7948 175.2848 63 H 4.2765 8.4370 116.7940 56.0744 29.2193 175.4705 64 F 4.2424 9.0439 128.4580 58.7801 40.3769 175.7131 *65 N 4.6427 8.5442 119.6257 52.2185 39.7429 171.0859 *78 E 4.1977 8.0551 118.1210 56.8663 30.4476 174.4839 79 R 3.7053 7.9082 122.1651 57.5403 29.9974 176.0546 80 H 4.9032 9.4044 123.0398 53.4772 31.6651 175.7936 81 V 3.4187 8.2674 121.1421 66.3769 31.3048 177.2870 82 G 3.8592 8.7906 105.7079 47.3429 0.0000 173.5961 83 D 4.9001 8.2632 122.2729 53.6781 39.3023 176.8909 84 L 4.0989 8.4008 123.2505 55.1975 42.4024 177.2129 85 G 4.1428 7.5102 102.8092 44.3063 0.0000 173.0928 86 N 5.6816 8.7120 121.0963 51.5292 42.0609 174.1005 87 V 4.3102 8.6998 114.6313 60.1142 35.1964 174.9923 88 T 4.9601 8.1806 118.3438 61.8544 71.2531 173.0607 89 A 4.8726 9.0441 129.9344 51.0147 20.6923 177.3716 90 D 4.5593 8.7570 122.8568 52.1287 41.4653 176.9352 91 K 4.1698 8.5587 117.0318 58.9517 32.5234 176.8619 92 D 4.6253 9.1478 119.1757 54.1172 41.5762 177.1279 93 G 4.2992 8.8295 108.8911 44.2535 0.0000 172.4668 94 V 4.7036 7.8273 119.4035 60.7930 33.9035 174.1603 95 A 5.4549 9.1161 130.2631 49.7685 20.7470 175.1714 96 D 4.9412 8.6291 122.9806 53.9534 42.1362 176.3192 97 V 4.2433 8.7795 124.7052 61.2476 33.7938 174.8577 98 S 5.0551 8.5272 122.7983 57.5172 64.4589 172.5936 99 I 4.7799 9.4571 120.6198 59.5359 41.5542 173.2537 100 E 5.1208 8.7787 123.4285 54.4854 32.0751 174.2904 101 D 4.8746 9.4027 126.6792 52.6410 44.0753 175.8361 102 S 4.7090 8.9040 120.6992 58.5508 63.4600 174.7594 103 V 4.0161 8.6707 122.1160 64.6222 31.9342 176.6055 104 I 4.2024 7.8037 110.9194 60.7289 38.5964 174.1487 105 S 4.6688 8.5578 113.7289 57.3259 65.3853 174.0364 106 L 4.5180 9.2853 122.6081 54.5329 41.9520 176.2283 107 S 4.5151 7.6864 112.4099 57.5934 66.6921 174.2975 108 G 3.8794 8.5137 108.3923 44.7618 0.0000 173.5425 109 D 4.4375 8.7248 117.2236 57.7216 41.2265 176.8961 110 H 4.9182 8.2279 114.8724 55.8403 28.8461 174.2071 111 C 4.6332 7.9648 120.8775 59.7715 31.8510 173.4297 112 I 3.8509 8.1408 119.0991 60.2765 37.9576 175.5670 113 I 3.6781 7.3011 123.0374 62.8914 37.4072 176.2801 114 G 3.7959 9.5036 113.0978 45.5809 0.0000 172.9650 115 R 4.9409 7.3632 119.2916 54.6934 33.6894 174.4940 116 T 4.9993 7.9831 115.1733 62.1091 71.5061 173.5911 117 L 4.8389 8.5942 128.3499 53.9452 43.9963 175.3262 118 V 4.9752 9.0601 125.9665 61.0064 35.1480 174.1665 119 V 5.0677 8.5769 126.8270 60.6017 33.4970 174.5583 120 H 5.3170 9.3039 121.7098 53.9817 30.5309 174.5635 121 E 4.2087 9.1256 122.6668 58.8289 30.0344 177.1969 122 K 4.7693 7.9715 116.9723 54.0098 35.4313 176.2238 123 A 4.4154 8.4010 124.7074 52.1358 18.9965 176.8707 124 D 4.6520 9.9293 122.4329 53.6532 41.6424 175.9996 125 D 4.6475 8.5048 124.4113 53.5183 41.7108 175.8125 *142 S 4.2043 7.7607 113.5737 58.0157 63.9930 173.0203 143 R 4.3510 8.5210 125.7818 55.4620 29.7563 176.2194 144 L 4.3020 8.8374 125.9378 57.4629 43.0387 177.0941 145 A 5.0413 7.6885 117.9554 51.5135 22.9765 174.6526 146 C 5.1761 8.3302 113.6088 58.9798 33.7022 172.6898 147 G 4.5314 8.0124 103.2576 46.3083 0.0000 172.6513 148 V 4.5474 8.3427 121.1524 61.9310 32.9968 175.4756 149 I 4.1998 8.7647 129.3224 60.8183 38.0626 175.2431 150 G 4.4672 8.7924 114.3311 43.7970 0.0000 172.0314 151 I 4.3948 8.3544 121.6591 61.2545 37.5982 175.4364 152 A 4.8269 8.6385 127.9790 49.7837 22.2810 176.0571 153 Q 4.0756 8.5265 118.7590 56.4088 29.2278 175.8680 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 A 8.26 4.35 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 2 T 8.36 4.60 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 1.25 0.00 0.00 3 K 8.39 5.36 0.00 1.91 1.68 0.00 1.95 0.00 0.00 1.99 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.50 7.81 4 A 9.14 5.39 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 5 V 8.66 4.99 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 0.62 0.00 0.00 0.94 0.00 0.00 6 C 9.22 4.91 0.00 3.11 2.90 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 7 V 8.47 4.62 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.99 4.98 0.00 1.70 1.59 1.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.09 4.84 0.00 1.65 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 7.99 4.05 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 0.00 11 D 8.84 4.56 0.00 2.68 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 12 G 7.69 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 0.00 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 14 V 7.56 4.13 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 15 Q 8.44 4.81 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 16 G 7.79 4.05 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 0.00 17 I 7.72 5.18 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.82 0.00 0.00 18 I 8.88 4.47 1.85 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 1.26 1.36 0.47 0.00 0.00 19 N 8.41 5.06 0.00 1.44 1.45 0.00 0.00 6.49 8.05 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 20 F 9.02 5.45 0.00 2.88 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 21 E 9.52 5.23 0.00 2.39 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 0.00 2.33 2.39 0.00 22 Q 9.32 4.84 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 23 K 9.01 4.20 0.00 2.07 1.88 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.00 7.81 24 E 7.80 4.75 0.00 1.95 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 0.00 2.27 2.28 0.00 25 S 8.80 4.27 0.00 4.03 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 26 N 8.17 4.47 0.00 2.83 2.98 0.00 0.00 6.00 7.00 0.00 0.00 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 G 7.54 3.86 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 0.00 0.00 0.00 28 P 0.00 4.67 0.00 2.13 2.11 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 29 V 8.80 4.60 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 1.31 0.00 0.00 1.07 0.00 0.00 30 K 9.47 4.89 0.00 1.99 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.44 7.81 31 V 9.37 4.92 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 1.08 0.00 0.00 32 W 8.20 5.46 0.00 3.49 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 33 G 7.65 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 34 S 7.62 5.07 0.00 3.83 3.63 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 0.00 0.00 0.00 35 I 8.96 5.04 1.80 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 1.27 0.67 0.95 0.00 0.00 36 K 9.16 4.69 0.00 1.73 1.89 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.34 7.81 37 G 8.82 3.68 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 0.00 0.00 0.00 38 L 7.79 4.63 0.00 1.77 1.41 0.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.21 4.29 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 1.24 0.00 0.00 40 E 8.75 3.90 0.00 1.95 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 2.31 2.35 0.00 41 G 8.75 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 0.00 0.00 0.00 42 L 8.26 4.78 0.00 1.50 1.59 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.30 4.92 0.00 3.03 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.13 4.05 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 0.00 45 F 9.28 5.71 0.00 3.00 3.03 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 0.00 0.00 0.00 46 R 8.79 4.83 0.00 1.84 1.62 0.00 2.92 0.00 0.00 2.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 47 V 8.62 4.57 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 0.83 0.00 0.00 0.88 0.00 0.00 48 H 9.41 5.26 0.00 3.06 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.93 3.66 0.00 1.65 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 1.47 2.03 0.00 50 F 7.90 4.93 0.00 3.04 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 51 G 8.35 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 0.00 0.00 0.00 0.00 52 D 7.94 4.83 0.00 2.62 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 53 N 8.69 5.48 0.00 2.70 2.75 0.00 0.00 7.29 7.54 0.00 0.00 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 T 8.46 3.94 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 1.23 0.00 0.00 55 A 7.78 4.69 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 56 G 8.03 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 0.00 0.00 0.00 57 C 8.52 4.20 0.00 2.95 2.93 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 0.00 0.00 0.00 58 T 7.92 3.94 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 1.23 0.00 0.00 59 S 7.90 4.47 0.00 4.13 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 60 A 7.49 4.44 1.42 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 0.00 0.00 61 G 8.08 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 0.00 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.04 2.19 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 63 H 8.44 4.28 0.00 2.62 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.04 4.24 0.00 2.85 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 *65 N 8.54 4.64 0.00 2.53 2.62 0.00 0.00 6.88 7.66 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 *78 E 8.06 4.20 0.00 1.94 1.92 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 2.20 2.29 0.00 79 R 7.91 3.71 0.00 1.73 1.80 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 80 H 9.40 4.90 0.00 3.27 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.27 3.42 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 0.53 0.00 0.00 0.61 0.00 0.00 82 G 8.79 3.86 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 0.00 0.00 0.00 83 D 8.26 4.90 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.10 0.00 1.85 1.94 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.51 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 0.00 0.00 0.00 0.00 86 N 8.71 5.68 0.00 2.59 2.71 0.00 0.00 6.64 7.68 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 87 V 8.70 4.31 1.82 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 -0.24 0.00 0.00 0.75 0.00 0.00 88 T 8.18 4.96 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 89 A 9.04 4.87 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 90 D 8.76 4.56 0.00 2.89 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 91 K 8.56 4.17 0.00 1.88 2.12 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 9.15 4.63 0.00 2.77 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 93 G 8.83 4.30 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 0.00 94 V 7.83 4.70 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 1.07 0.00 0.00 0.92 0.00 0.00 95 A 9.12 5.45 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 96 D 8.63 4.94 0.00 2.56 2.62 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 0.00 0.00 0.00 0.00 97 V 8.78 4.24 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 0.79 0.00 0.00 0.68 0.00 0.00 98 S 8.53 5.06 0.00 3.90 3.72 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 99 I 9.46 4.78 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.96 0.00 0.00 100 E 8.78 5.12 0.00 1.99 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 2.20 2.30 0.00 101 D 9.40 4.87 0.00 2.87 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 0.00 102 S 8.90 4.71 0.00 3.91 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 0.00 103 V 8.67 4.02 2.25 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 0.81 0.00 0.00 0.95 0.00 0.00 104 I 7.80 4.20 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.05 0.00 0.00 105 S 8.56 4.67 0.00 3.91 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 0.00 106 L 9.29 4.52 0.00 1.73 1.64 1.04 0.63 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 0.00 107 S 7.69 4.52 0.00 3.96 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 0.00 108 G 8.51 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 0.00 109 D 8.72 4.44 0.00 2.79 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 0.00 110 H 8.23 4.92 0.00 3.23 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.96 4.63 0.00 3.05 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 0.00 112 I 8.14 3.85 1.59 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 1.31 0.13 0.94 0.00 0.00 113 I 7.30 3.68 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.83 0.00 0.00 114 G 9.50 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 0.00 115 R 7.36 4.94 0.00 1.58 1.82 0.00 2.21 0.00 0.00 2.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.30 0.00 116 T 7.98 5.00 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 1.25 0.00 0.00 117 L 8.59 4.84 0.00 1.79 1.53 0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.06 4.98 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 0.70 0.00 0.00 0.75 0.00 0.00 119 V 8.58 5.07 2.30 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 0.79 0.00 0.00 1.04 0.00 0.00 120 H 9.30 5.32 0.00 3.13 3.32 0.00 5.66 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 0.00 121 E 9.13 4.21 0.00 2.11 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 0.00 2.37 2.35 0.00 122 K 7.97 4.77 0.00 1.81 1.69 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.48 7.81 123 A 8.40 4.42 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 0.00 124 D 9.93 4.65 0.00 2.56 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 0.00 125 D 8.50 4.65 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 *142 S 7.76 4.20 0.00 4.02 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 0.00 143 R 8.52 4.35 0.00 1.68 1.77 0.00 3.29 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 144 L 8.84 4.30 0.00 1.72 1.70 0.94 0.63 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 0.00 145 A 7.69 5.04 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 0.00 146 C 8.33 5.18 0.00 3.01 2.98 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 0.00 147 G 8.01 4.53 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 0.00 0.00 0.00 148 V 8.34 4.55 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 0.82 0.00 0.00 0.97 0.00 0.00 149 I 8.76 4.20 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.46 0.00 0.00 150 G 8.79 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 0.00 151 I 8.35 4.39 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.90 0.00 0.00 152 A 8.64 4.83 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 0.00 153 Q 8.53 4.08 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.