NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3028 8.3049 120.3479 56.5000 33.5246 174.8091 7 I 3.0493 8.2347 125.6192 60.0681 34.0404 172.0392 8 P 4.3322 0.0000 0.0000 61.7771 30.7637 173.3918 9 G 3.6931 7.9462 115.4795 45.2715 0.0000 171.4590 10 G 3.4206 8.5477 111.7979 45.7988 0.0000 171.2342 11 L 3.7467 6.6966 117.5228 54.9510 40.7064 175.4669 12 S 4.2997 8.0195 113.9512 57.9107 63.4514 173.4776 13 E 3.8827 8.6121 121.4942 56.6107 29.5525 177.6645 14 A 4.2869 8.1409 124.2031 51.1125 16.5857 177.4131 15 K 3.9962 8.0525 120.8637 56.0544 33.9386 173.8888 16 P 4.8091 0.0000 0.0000 62.2849 31.7797 175.8258 17 A 4.2950 8.5167 127.6165 52.6312 19.6702 176.6939 18 T 4.5000 7.6873 107.0301 59.2317 71.4017 172.3395 19 P 4.3465 0.0000 0.0000 65.5467 31.6102 177.3208 20 E 4.1287 8.0635 118.7320 58.5913 29.6768 178.7229 21 I 3.3180 7.1869 119.3665 64.3539 37.3667 178.0276 22 Q 3.9624 7.8974 120.0707 58.8598 28.6823 178.1963 23 E 3.9230 7.6716 120.6411 59.0239 29.4017 178.4828 24 I 3.5964 7.4371 120.1263 64.4357 37.0788 178.8608 25 V 3.6762 7.5895 119.3473 64.5835 31.2670 177.5002 26 D 4.4005 7.9469 117.4225 56.2376 41.1262 177.5148 27 K 4.2589 7.8815 117.6955 57.8078 32.8177 178.2015 28 V 4.2407 7.1696 110.7593 60.8091 31.4766 177.3317 29 K 3.8912 7.7674 121.6387 59.2385 31.5350 176.7557 30 P 4.3669 0.0000 0.0000 65.5969 30.9271 177.6237 31 Q 4.0501 7.9484 115.5994 56.9629 28.8534 177.3622 32 L 4.2674 7.6380 120.5239 56.8480 42.4001 178.4687 33 E 4.2227 7.9096 118.4086 57.7015 29.1506 178.0461 34 E 4.3726 7.5078 116.3708 56.3457 30.6079 176.8753 35 K 4.3673 7.3505 119.1337 57.4145 33.0080 176.9896 36 T 4.5471 8.0375 111.5590 61.0043 68.6630 174.0555 37 N 4.4968 7.8036 116.0206 53.3463 35.9280 173.4739 38 E 4.4536 7.6419 116.6983 55.8543 33.1062 175.8911 39 T 4.6240 7.4740 114.1886 62.2103 68.3867 172.9010 40 Y 4.4214 6.5958 120.8937 58.2906 39.6538 176.5924 *43 G 4.2798 8.0536 107.9037 45.0256 0.0000 173.7271 44 K 3.7792 8.6583 122.6803 56.6792 32.8217 177.3918 45 L 5.7117 7.8261 126.6757 52.0850 40.2219 176.4111 46 E 4.0626 7.9995 118.6052 56.5936 31.0362 178.2539 47 A 4.3468 8.6018 126.8809 52.3868 18.8751 176.4183 48 V 4.3122 8.4662 120.1138 64.1796 34.4968 175.1369 49 Q 5.3262 7.7297 116.9105 54.7639 33.9546 173.2321 50 Y 5.6437 7.9827 113.8749 57.3872 40.9809 173.5358 51 K 4.5931 8.5470 122.4488 55.0200 35.4518 176.5285 52 T 4.7352 8.1951 114.1997 62.1768 71.9603 172.0901 53 Q 4.9077 8.0090 118.4092 56.5374 32.5318 173.5536 54 V 4.1225 7.3396 117.8286 64.1628 34.6805 174.6679 55 V 4.1337 8.3022 125.2604 62.3611 32.9495 172.0530 56 A 4.7651 9.3795 124.7956 51.2261 21.2669 179.5428 57 G 4.1017 8.2016 113.6309 47.3128 0.0000 175.4933 58 T 4.2045 5.7900 123.2943 62.8281 72.0266 173.5888 59 N 4.6639 8.0830 125.5838 53.4325 39.8767 173.6373 60 Y 4.9953 7.5999 114.7403 58.0096 43.4557 174.1551 61 Y 6.2483 8.6968 117.7155 57.1393 42.8056 174.5792 62 I 5.1177 8.8502 124.2166 59.6605 42.1255 174.9177 63 K 5.1718 8.8798 129.8036 55.3526 30.7325 175.3909 64 V 4.3287 7.6750 116.8199 60.5101 33.9827 175.8781 65 R 3.3426 8.2369 122.8017 55.0866 31.0516 176.8925 66 A 4.1008 7.9091 127.6478 51.9195 15.6502 175.8942 67 G 3.7939 8.9401 110.4022 46.0171 0.0000 176.2698 68 D 4.4720 7.7257 121.4129 53.5214 42.7356 176.3009 *92 N 4.9095 8.4276 114.7239 53.8128 40.6544 174.9079 93 K 4.3040 7.8130 117.3252 56.9169 32.8323 174.8618 94 Y 4.7077 7.6558 115.7545 58.7863 41.3175 174.5806 95 M 4.4454 8.0615 116.9264 55.8850 35.6211 175.3557 96 H 5.2114 8.2003 123.3784 56.2999 29.8766 174.1763 97 L 4.8284 8.6003 117.7296 54.9176 45.6372 173.8037 98 K 5.6304 8.7097 124.0408 54.7796 35.5258 174.9183 99 V 5.4931 8.6018 125.8089 60.0799 35.5497 173.2620 100 F 5.4964 8.8689 126.2292 56.2724 42.4488 173.6146 101 K 4.7044 8.3437 126.8369 54.5742 34.6944 175.0973 102 S 4.1062 8.3710 123.8761 57.6705 63.6255 174.1051 102A L 4.0092 8.5137 126.3040 57.1901 41.5588 176.0280 103 P 4.4629 0.0000 0.0000 61.7382 32.6056 175.8154 104 G 4.0867 8.5954 104.3159 45.6132 0.0000 174.6093 105 Q 4.5226 7.7895 124.3090 54.9410 27.2894 178.1320 105A N 4.3174 8.7877 123.6335 54.9236 37.3998 173.9920 106 E 4.3789 8.1171 122.5803 55.4088 31.3664 177.6295 107 D 4.5888 8.0795 117.3825 52.0279 42.0650 173.4098 108 L 3.9383 8.0485 120.4454 53.8937 42.3004 177.7570 109 V 4.1182 8.0199 123.4772 60.9157 33.8433 175.3777 110 L 4.6636 8.3897 124.9802 53.7157 40.0010 175.5115 111 T 4.0371 8.5561 114.2799 64.6869 69.4285 174.0183 112 G 4.2208 7.3519 106.1349 47.2089 0.0000 172.1835 113 Y 5.1653 7.8470 118.8057 57.1355 39.2470 173.5256 114 Q 4.4456 8.1005 122.7309 54.1467 29.1887 175.5261 115 V 3.6605 8.5145 123.6728 60.7801 32.6038 175.2997 115A D 4.2891 8.1890 118.3838 55.4502 39.5214 172.1615 116 K 4.5657 7.4419 120.0955 54.8279 35.4166 174.0864 117 N 5.1897 7.9438 118.9349 51.3909 41.5620 174.6900 118 K 3.5804 8.0040 118.1517 59.0287 32.4874 178.0461 119 D 4.2993 7.8080 116.4254 55.5118 41.4343 174.9778 120 D 4.5404 7.2548 118.6803 53.3982 41.2302 175.1567 121 E 4.4117 8.4562 127.7237 55.0590 30.8844 176.0402 122 L 3.6925 8.6723 125.6540 57.5681 41.9367 178.4943 123 T 3.0436 7.7102 105.3157 61.9547 69.0526 171.9442 124 G 3.7164 8.0488 109.5227 45.6410 0.0000 173.8519 125 F 4.4504 7.4891 120.2646 56.5655 38.0612 175.1646 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 6 M 8.30 4.30 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 7 I 8.23 3.05 1.86 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 1.47 0.16 0.90 0.00 0.00 8 P 0.00 4.33 0.00 2.17 2.08 0.00 3.88 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 1.98 1.95 0.00 9 G 7.95 3.69 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 0.00 0.00 0.00 10 G 8.55 3.42 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 0.00 11 L 6.70 3.75 0.00 1.99 1.77 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.02 4.30 0.00 3.84 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 13 E 8.61 3.88 0.00 1.90 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 2.29 2.33 0.00 14 A 8.14 4.29 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 15 K 8.05 4.00 0.00 0.79 1.62 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.17 7.81 16 P 0.00 4.81 0.00 2.16 2.13 0.00 3.90 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 2.08 2.02 0.00 17 A 8.52 4.29 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 18 T 7.69 4.50 4.21 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 1.24 0.00 0.00 19 P 0.00 4.35 0.00 2.20 2.18 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 20 E 8.06 4.13 0.00 1.91 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 2.22 2.27 0.00 21 I 7.19 3.32 1.63 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.57 0.00 0.00 22 Q 7.90 3.96 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 23 E 7.67 3.92 0.00 2.14 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 0.00 2.24 2.29 0.00 24 I 7.44 3.60 1.75 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.37 0.77 0.00 0.00 25 V 7.59 3.68 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 0.87 0.00 0.00 0.89 0.00 0.00 26 D 7.95 4.40 0.00 2.79 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 27 K 7.88 4.26 0.00 1.96 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 28 V 7.17 4.24 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 1.13 0.00 0.00 1.09 0.00 0.00 29 K 7.77 3.89 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 30 P 0.00 4.37 0.00 2.31 2.29 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 31 Q 7.95 4.05 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 32 L 7.64 4.27 0.00 2.07 1.89 0.84 0.10 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 33 E 7.91 4.22 0.00 1.98 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 2.26 2.37 0.00 34 E 7.51 4.37 0.00 1.90 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 2.25 2.27 0.00 35 K 7.35 4.37 0.00 2.26 1.94 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.56 7.81 36 T 8.04 4.55 4.40 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 1.24 0.00 0.00 37 N 7.80 4.50 0.00 3.12 3.18 0.00 0.00 6.78 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 38 E 7.64 4.45 0.00 1.35 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 2.17 2.18 0.00 39 T 7.47 4.62 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 1.15 0.00 0.00 40 Y 6.60 4.42 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 *43 G 8.05 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 0.00 0.00 0.00 0.00 44 K 8.66 3.78 0.00 1.70 1.74 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.48 7.81 45 L 7.83 5.71 0.00 1.45 1.53 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.00 4.06 0.00 1.83 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 2.38 2.31 0.00 47 A 8.60 4.35 1.20 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 0.00 0.00 48 V 8.47 4.31 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 1.05 0.00 0.00 1.12 0.00 0.00 49 Q 7.73 5.33 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 50 Y 7.98 5.64 0.00 3.26 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 51 K 8.55 4.59 0.00 2.01 2.02 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.70 1.40 7.81 52 T 8.20 4.74 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 1.50 0.00 0.00 53 Q 8.01 4.91 0.00 1.43 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.76 0.00 0.00 0.00 0.00 0.00 2.26 1.79 0.00 54 V 7.34 4.12 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 0.72 0.00 0.00 0.92 0.00 0.00 55 V 8.30 4.13 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 0.50 0.00 0.00 0.63 0.00 0.00 56 A 9.38 4.77 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 57 G 8.20 4.10 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 0.00 58 T 5.79 4.20 4.09 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 0.00 0.00 1.15 0.00 0.00 59 N 8.08 4.66 0.00 2.25 2.30 0.00 0.00 6.71 6.72 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 60 Y 7.60 5.00 0.00 3.09 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 61 Y 8.70 6.25 0.00 3.14 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 62 I 8.85 5.12 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 1.04 0.00 0.00 63 K 8.88 5.17 0.00 2.11 1.88 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.66 7.81 64 V 7.67 4.33 2.01 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 0.79 0.00 0.00 0.94 0.00 0.00 65 R 8.24 3.34 0.00 1.39 0.89 0.00 2.76 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.49 0.00 66 A 7.91 4.10 1.27 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 67 G 8.94 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 0.00 0.00 0.00 68 D 7.73 4.47 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 *92 N 8.43 4.91 0.00 2.77 3.01 0.00 0.00 7.34 7.65 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 93 K 7.81 4.30 0.00 1.86 1.81 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.53 7.81 94 Y 7.66 4.71 0.00 3.17 2.87 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 95 M 8.06 4.45 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 96 H 8.20 5.21 0.00 2.95 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.60 4.83 0.00 1.86 1.64 1.03 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.71 5.63 0.00 1.77 1.83 0.00 1.42 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.16 7.81 99 V 8.60 5.49 2.46 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 1.78 0.00 0.00 1.08 0.00 0.00 100 F 8.87 5.50 0.00 3.05 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 0.00 101 K 8.34 4.70 0.00 2.06 1.62 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.52 7.81 102 S 8.37 4.11 0.00 3.75 3.76 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 102A L 8.51 4.01 0.00 1.58 1.70 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.46 0.00 2.14 2.04 0.00 3.54 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 1.92 1.92 0.00 104 G 8.60 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.79 4.52 0.00 2.02 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.18 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 105A N 8.79 4.32 0.00 2.67 2.78 0.00 0.00 6.85 7.64 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 0.00 106 E 8.12 4.38 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 2.26 2.25 0.00 107 D 8.08 4.59 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.94 0.00 1.65 1.73 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.02 4.12 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 0.76 0.00 0.00 1.02 0.00 0.00 110 L 8.39 4.66 0.00 1.77 1.78 1.26 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.56 4.04 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 1.20 0.00 0.00 112 G 7.35 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 0.00 0.00 0.00 0.00 113 Y 7.85 5.17 0.00 3.04 3.14 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 0.00 114 Q 8.10 4.45 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.68 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 115 V 8.51 3.66 2.40 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 0.88 0.00 0.00 1.21 0.00 0.00 115A D 8.19 4.29 0.00 2.80 2.70 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 0.00 116 K 7.44 4.57 0.00 2.01 1.46 0.00 1.54 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.27 1.39 7.81 117 N 7.94 5.19 0.00 2.70 2.58 0.00 0.00 6.42 7.67 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 0.00 118 K 8.00 3.58 0.00 1.05 1.53 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.25 7.81 119 D 7.81 4.30 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.25 4.54 0.00 2.69 2.46 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 0.00 121 E 8.46 4.41 0.00 1.95 1.79 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 2.24 2.32 0.00 122 L 8.67 3.69 0.00 1.59 1.59 1.02 1.16 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 0.00 123 T 7.71 3.04 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 1.18 0.00 0.00 124 G 8.05 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 0.00 0.00 0.00 125 F 7.49 4.45 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.