NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 N 4.7308 8.4249 118.1280 53.3463 40.2752 172.7888 26 Q 4.8860 8.1809 117.4205 54.0605 32.3540 169.9381 27 V 4.9142 9.4616 114.2520 59.7021 37.1824 174.3168 28 R 5.1418 8.6596 123.1128 53.2097 31.9027 173.4700 29 P 4.9773 0.0000 0.0000 62.1044 32.2565 176.7823 30 K 4.0515 9.1118 123.6655 56.5359 33.0082 177.9210 31 L 3.8859 8.9031 123.7207 57.8763 41.0677 177.9032 32 P 4.1757 0.0000 0.0000 65.9668 31.2032 178.3425 33 L 3.8781 7.7755 118.1419 57.9387 42.0714 178.5492 34 L 3.7977 8.1099 120.7411 57.7859 41.9480 178.7983 35 K 3.8918 8.5839 119.9790 59.5882 31.8996 178.8287 36 I 3.6059 7.0767 118.1699 64.2073 37.2526 178.1486 37 L 3.9456 7.8798 119.9863 58.0845 41.3488 179.2287 38 H 4.3326 8.6412 116.1563 58.9851 28.4477 177.6684 39 A 4.0263 8.1068 121.0717 54.7535 18.2500 178.5729 40 A 4.4753 7.7830 116.8952 52.2842 19.1557 178.0065 41 G 3.9849 8.0663 105.8702 44.7115 0.0000 174.1426 42 A 3.3638 7.1549 122.6578 51.7721 18.7815 177.0814 43 Q 4.5409 8.9023 121.7065 55.4602 30.8399 176.9089 44 G 3.7517 8.9775 109.0332 44.5584 0.0000 172.2112 45 E 4.6439 8.3274 114.9565 55.7543 31.5273 174.7704 46 M 5.0201 7.2061 118.4592 53.4046 34.4320 175.0280 47 F 5.3048 8.9722 121.0616 56.1042 44.5431 173.9618 48 T 4.7714 9.2802 110.9077 60.8868 70.5146 176.2536 49 V 3.6580 8.5240 121.5815 66.3144 31.5384 178.3897 50 K 4.0499 8.0655 117.6744 59.2727 31.9188 179.0813 51 E 3.9400 8.2528 119.0418 59.3707 29.4764 179.3270 52 V 3.5711 7.9141 118.2161 66.5358 31.5351 178.0550 53 M 4.1227 8.2617 118.2807 58.3544 31.8205 178.1445 54 H 4.0180 8.2904 118.5326 59.5846 30.0123 176.9754 55 Y 4.1238 7.9262 118.4037 60.8920 37.5944 178.1338 56 L 4.1389 8.2105 121.5081 58.0753 42.1880 179.1820 57 G 3.6517 8.2583 105.6787 48.0127 0.0000 175.6498 58 Q 4.0046 7.8972 120.4479 58.6516 28.7494 177.9392 59 Y 4.0555 8.5567 120.9549 60.9782 38.7900 178.4408 60 I 3.8268 8.2124 120.4899 64.6384 37.2895 177.8960 61 M 4.1042 8.1092 118.8639 59.0547 31.8836 178.5334 62 V 3.6950 8.0389 117.4526 65.5322 31.8193 177.2507 63 K 4.1308 7.8204 115.4147 55.4360 32.3672 176.5056 64 Q 3.2344 7.8857 117.3438 56.9476 26.9074 174.3913 65 L 4.2812 8.0296 115.8113 55.4952 42.1745 176.7305 66 Y 5.0824 7.2460 116.7737 54.9570 40.2891 174.4618 67 D 4.5611 8.7260 120.7054 53.3676 41.7152 176.8908 68 Q 4.1999 8.8370 126.3399 59.2068 28.9008 178.2252 69 Q 4.3312 8.7581 115.5504 57.1013 29.6090 175.7930 70 E 4.6514 7.9199 117.1148 53.9459 29.8053 176.0298 71 Q 4.5308 8.5692 121.0124 58.1770 29.4089 177.2565 72 H 4.4607 8.0698 112.2336 56.9981 30.1413 174.7175 73 M 4.4192 7.9713 121.0678 54.2083 33.6161 175.1138 74 V 4.4600 8.2588 124.5439 61.2443 33.9610 173.9459 75 Y 5.0113 9.1738 127.4749 56.7073 38.5129 175.1561 76 C 4.7336 9.1275 118.8599 57.4126 30.3877 174.1061 77 G 3.8614 8.0016 110.5819 47.3108 0.0000 174.1617 78 G 3.9927 9.3971 113.0073 45.0618 0.0000 172.1800 79 D 5.0910 7.8100 118.0384 51.5319 44.1984 176.7106 80 L 4.1491 8.4917 123.0179 57.2755 41.4353 179.5918 81 L 4.0232 8.8597 121.6287 57.9444 42.0755 178.8317 82 G 3.7594 8.0262 105.5238 47.9158 0.0000 175.4558 83 E 3.9582 8.1001 120.0502 59.3699 29.4471 178.9849 84 L 3.9231 7.3454 117.5834 58.0983 41.8086 179.4592 85 L 4.0820 8.1606 117.4306 54.8240 41.8848 177.1161 86 G 3.8721 8.1717 106.7083 46.0490 0.0000 172.8134 87 R 4.6790 8.0456 117.4215 54.9923 33.9328 173.6822 88 Q 4.7034 8.6450 116.9269 56.7835 31.7245 175.9388 89 S 5.0885 7.7051 110.8648 56.9888 65.6909 173.2493 90 F 4.6693 8.1473 117.5676 56.3217 41.5240 172.5548 91 S 4.9037 8.2404 115.2613 57.4605 63.6688 174.9877 92 V 4.1458 8.6277 119.4397 62.9698 31.3350 177.5426 93 K 4.0313 8.2347 120.0867 57.9529 31.8922 176.6715 94 D 4.7245 7.6434 118.1721 51.0749 41.3290 174.0042 95 P 4.1465 0.0000 0.0000 63.4335 31.4895 177.7652 96 S 4.0689 7.8913 115.3741 61.5156 62.9382 175.0336 97 P 4.1844 0.0000 0.0000 65.1586 30.9412 178.8646 98 L 3.8090 7.3205 117.6081 57.8513 41.5920 178.5865 99 Y 4.3690 7.7570 117.0959 61.2289 37.8336 178.1777 100 D 4.3428 7.9868 118.4187 57.7555 41.3295 177.9491 101 M 3.9584 7.8342 118.1755 58.7380 32.1002 178.1469 102 L 3.9787 8.0545 118.9179 57.7644 41.6006 179.3893 103 R 3.8761 8.0037 117.5462 59.5909 30.1503 178.5307 104 K 4.1979 8.0128 116.2441 58.2718 32.3580 177.2242 105 N 5.0075 7.9759 113.9358 52.5284 40.9009 173.7842 106 L 4.9404 8.2352 119.9383 52.8085 43.9820 176.0076 107 V 4.3517 8.4959 124.7683 61.0655 33.0401 175.1054 108 T 4.2937 8.6069 119.0815 62.0003 69.2468 173.7492 109 L 4.6087 8.2676 124.2393 53.0336 44.1938 176.6150 *110 A 4.0850 8.3481 122.6412 52.6213 18.8652 176.7752 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 25 N 8.42 4.73 0.00 2.72 2.85 0.00 0.00 6.78 6.81 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 26 Q 8.18 4.89 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 27 V 9.46 4.91 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 0.80 0.00 0.00 1.10 0.00 0.00 28 R 8.66 5.14 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.26 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 29 P 0.00 4.98 0.00 2.00 1.97 0.00 3.97 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 30 K 9.11 4.05 0.00 1.63 1.73 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.71 7.81 31 L 8.90 3.89 0.00 1.68 1.75 0.93 1.05 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 32 P 0.00 4.18 0.00 2.12 2.10 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 33 L 7.78 3.88 0.00 1.69 1.75 0.80 0.46 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 34 L 8.11 3.80 0.00 1.76 1.75 0.99 0.86 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 35 K 8.58 3.89 0.00 1.80 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 36 I 7.08 3.61 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 -0.08 0.00 0.00 37 L 7.88 3.95 0.00 1.53 1.19 0.52 1.21 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 38 H 8.64 4.33 0.00 3.18 3.32 0.00 5.65 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 8.11 4.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.48 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.07 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 42 A 7.15 3.36 0.33 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 43 Q 8.90 4.54 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 44 G 8.98 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 45 E 8.33 4.64 0.00 1.92 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 2.32 2.28 0.00 46 M 7.21 5.02 0.00 1.73 1.74 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 2.35 2.43 0.00 47 F 8.97 5.30 0.00 3.05 3.05 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 48 T 9.28 4.77 4.29 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 1.31 0.00 0.00 49 V 8.52 3.66 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 1.10 0.00 0.00 0.97 0.00 0.00 50 K 8.07 4.05 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.55 7.81 51 E 8.25 3.94 0.00 2.43 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 0.00 2.42 2.39 0.00 52 V 7.91 3.57 2.27 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 1.01 0.00 0.00 0.98 0.00 0.00 53 M 8.26 4.12 0.00 2.09 2.11 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 2.65 2.87 0.00 54 H 8.29 4.02 0.00 3.15 3.34 0.00 5.78 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 55 Y 7.93 4.12 0.00 3.12 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 56 L 8.21 4.14 0.00 1.89 1.83 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.26 3.65 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 0.00 0.00 0.00 58 Q 7.90 4.00 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 59 Y 8.56 4.06 0.00 3.16 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 60 I 8.21 3.83 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 1.03 0.00 0.00 61 M 8.11 4.10 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 62 V 8.04 3.70 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 0.87 0.00 0.00 0.97 0.00 0.00 63 K 7.82 4.13 0.00 1.60 1.62 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.19 1.03 7.81 64 Q 7.89 3.23 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 65 L 8.03 4.28 0.00 1.84 1.78 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.25 5.08 0.00 3.26 2.92 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 67 D 8.73 4.56 0.00 3.03 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 68 Q 8.84 4.20 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 69 Q 8.76 4.33 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 70 E 7.92 4.65 0.00 1.99 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 2.30 2.31 0.00 71 Q 8.57 4.53 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 72 H 8.07 4.46 0.00 3.22 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 M 7.97 4.42 0.00 1.62 2.13 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.26 0.00 74 V 8.26 4.46 0.67 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 1.00 0.00 0.00 0.60 0.00 0.00 75 Y 9.17 5.01 0.00 2.77 2.92 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 76 C 9.13 4.73 0.00 3.31 3.33 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 77 G 8.00 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 78 G 9.40 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.81 5.09 0.00 2.83 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 80 L 8.49 4.15 0.00 1.82 1.73 1.03 0.50 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 81 L 8.86 4.02 0.00 1.75 1.91 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.03 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 0.00 0.00 0.00 83 E 8.10 3.96 0.00 2.16 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 0.00 2.41 2.58 0.00 84 L 7.35 3.92 0.00 1.68 1.69 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.16 4.08 0.00 1.48 1.44 0.51 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.17 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 0.00 0.00 0.00 87 R 8.05 4.68 0.00 1.65 1.73 0.00 3.18 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 88 Q 8.64 4.70 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 89 S 7.71 5.09 0.00 3.76 3.70 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 90 F 8.15 4.67 0.00 3.11 2.97 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 91 S 8.24 4.90 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 4.15 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 0.72 0.00 0.00 0.96 0.00 0.00 93 K 8.23 4.03 0.00 1.74 1.83 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.40 1.27 7.81 94 D 7.64 4.72 0.00 2.63 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 95 P 0.00 4.15 0.00 1.26 1.60 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 2.05 2.07 0.00 96 S 7.89 4.07 0.00 3.91 3.93 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 97 P 0.00 4.18 0.00 1.67 1.81 0.00 3.56 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 1.89 2.04 0.00 98 L 7.32 3.81 0.00 1.57 1.57 0.91 0.75 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 99 Y 7.76 4.37 0.00 2.95 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 0.00 100 D 7.99 4.34 0.00 2.89 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 M 7.83 3.96 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 102 L 8.05 3.98 0.00 1.97 1.74 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.00 3.88 0.00 1.80 2.14 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 104 K 8.01 4.20 0.00 1.77 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 105 N 7.98 5.01 0.00 2.73 2.76 0.00 0.00 6.66 7.34 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 0.00 106 L 8.24 4.94 0.00 1.57 1.60 0.95 1.10 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 0.00 107 V 8.50 4.35 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 1.08 0.00 0.00 0.94 0.00 0.00 108 T 8.61 4.29 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 0.00 109 L 8.27 4.61 0.00 1.57 1.61 0.90 0.80 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 *110 A 8.35 4.08 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 * Residues marked with a * may have inaccurate shift predictions.