NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 H 4.5821 8.4331 117.3742 54.2253 29.6592 171.7962 *21 G 3.8912 8.2691 103.1930 47.5998 0.0000 172.2636 22 T 4.4579 8.3634 118.3368 61.5204 70.8707 173.7695 23 S 4.5992 8.5336 123.0452 56.8020 63.6812 174.7253 24 L 4.4774 8.1502 127.8953 54.4128 43.0909 176.8184 25 T 4.7149 7.9774 108.3702 60.1274 73.0366 173.4254 26 D 4.2964 8.8134 121.5229 58.1401 40.7911 179.0554 27 E 3.9157 8.1527 117.6826 60.0894 29.4234 179.1365 28 E 3.8942 7.6256 116.5962 59.6063 29.6384 178.7006 29 L 4.0307 8.1572 120.3647 58.3474 42.1609 179.4711 30 V 3.7548 7.8683 118.4124 64.6099 32.8840 178.1553 31 T 4.1532 7.6809 116.7959 61.5053 65.3516 173.9307 *33 S 4.2577 6.9956 116.5148 57.6191 65.1976 175.3840 34 V 3.4984 8.3836 120.3426 66.6164 30.7765 178.1762 35 R 4.0414 7.9083 117.4262 58.8687 30.0940 178.1134 36 E 3.9631 7.9482 118.7285 59.1858 29.2801 178.7093 37 L 3.9795 8.3248 119.4280 58.6291 42.0040 178.7386 38 N 4.4727 8.0697 115.3304 56.1004 38.3528 177.5650 39 Q 4.0470 7.7795 119.9058 59.0960 28.7889 177.6877 40 H 4.3479 8.0878 114.0969 57.3798 28.8771 176.7857 41 L 4.3804 7.4583 120.7048 55.5499 41.8470 177.1900 42 R 4.0413 7.2628 117.8460 58.0989 30.5537 174.9004 43 G 4.3009 9.4084 113.7926 46.0673 0.0000 174.2564 44 L 3.9229 7.4230 119.2513 54.7162 42.1600 178.2785 45 S 4.3155 8.5859 118.3305 57.9059 64.8905 175.1856 46 K 3.8013 8.6069 123.5210 60.1866 31.9005 178.5674 47 E 3.9584 8.2629 117.9700 59.6603 29.1410 179.0093 48 E 3.9694 7.8533 118.3300 59.1009 29.6510 178.9604 49 I 3.7341 7.9319 120.1434 64.6048 37.1425 177.8939 50 I 3.6495 7.7818 120.3635 64.8378 36.9313 178.0443 51 Q 3.9817 8.1529 118.1699 59.1164 28.7159 179.0814 52 L 3.9308 7.8829 120.8373 58.3919 42.1527 179.2138 53 K 3.9764 8.6152 118.5049 59.3856 31.9532 179.2407 54 Q 3.9222 8.4009 120.1392 59.2371 28.9847 178.0139 55 R 3.9373 8.6232 120.1513 59.4191 29.9193 178.3741 56 R 3.8187 8.0963 118.3820 59.3472 30.0657 178.4142 57 R 3.8778 7.9947 118.3710 59.8592 30.1172 178.3698 58 T 3.8384 8.3630 115.7858 66.8743 68.0060 176.4991 59 L 3.9721 8.1663 120.8715 57.6431 41.5842 179.7906 60 K 3.6606 8.2156 118.8619 59.3865 31.9017 179.2032 61 N 4.5558 8.7751 117.1955 56.1434 38.3976 177.1897 62 R 3.9567 7.8901 120.4340 59.4400 30.0389 178.8653 63 G 3.3586 7.4032 104.5285 48.0883 0.0000 175.0143 64 Y 4.4584 7.2841 119.8044 61.0422 37.9364 179.0954 65 A 4.0584 8.5816 121.4965 54.9153 18.4402 179.5733 66 A 3.9201 7.9091 119.2596 55.6079 18.5034 179.8933 67 S 4.0920 8.6876 113.9771 61.9813 62.6474 176.7023 68 C 4.1233 7.9265 120.3180 62.4402 31.6993 175.5011 69 R 4.0662 7.9948 119.6001 60.0503 29.6686 178.3416 70 V 3.4629 8.1227 117.0202 66.0805 31.2919 177.7086 71 K 3.9934 8.9069 119.4886 59.7224 32.3494 179.2287 72 R 3.9002 7.8939 118.2567 59.0924 30.0241 178.9794 73 V 3.5313 7.6666 117.4059 66.8491 31.6340 177.2597 74 T 3.8007 8.2436 115.0252 67.7372 68.1266 176.1485 75 Q 4.0921 8.3076 120.7782 58.4546 29.1018 178.9325 76 K 4.1056 7.8741 121.0923 59.2953 32.3503 178.3494 77 E 4.2607 8.2099 120.1848 59.1729 29.2610 179.1368 78 E 4.0776 7.9699 117.1735 59.8379 29.5283 179.5409 79 L 4.1802 7.8810 118.8560 57.4442 41.5719 179.3211 80 E 4.1104 8.0665 120.5315 59.9103 29.4417 180.1108 81 K 4.2997 8.1344 118.2432 57.8600 31.4121 179.0580 82 Q 4.7153 8.8628 120.6863 57.1240 31.2148 177.3238 83 K 4.2258 7.7178 115.0645 57.3656 32.3044 178.0397 84 A 4.1897 7.9268 122.4374 53.6363 19.0832 178.1856 85 E 4.4719 7.6192 113.5045 56.0400 29.5333 176.4347 86 L 4.7310 7.5558 118.2825 54.1555 43.9565 177.9386 87 Q 4.3307 7.7959 116.5757 56.7965 29.6690 176.5826 88 Q 4.3279 7.5275 119.4401 56.4788 28.0252 175.9148 89 E 4.4572 7.8445 118.6778 57.3510 30.1423 176.7663 90 V 3.5881 7.4371 116.7070 62.9584 32.0043 177.3064 91 E 4.3571 8.0161 121.5576 58.8732 30.0759 178.1570 92 K 4.3104 7.7230 121.2561 57.9735 31.7059 180.3484 93 L 4.7103 7.2513 115.4182 55.5360 43.6718 177.6041 94 A 4.2972 7.6053 119.8428 53.7817 18.7992 179.1972 95 S 4.4401 8.0775 115.0136 61.1554 63.4484 176.3861 96 E 4.1922 7.5290 116.1137 56.8059 29.5682 179.8824 97 N 4.6415 7.5350 114.5233 55.1141 39.4559 175.4911 98 A 4.2609 7.9862 120.0400 54.2147 19.4352 177.8070 99 S 4.3134 7.7071 114.6811 58.7739 60.7813 176.2828 *101 K 4.3514 8.0059 122.8908 54.4079 34.1722 179.8330 102 L 4.3914 7.7771 120.5110 57.2266 42.3506 177.3297 103 E 4.5855 7.8018 116.4656 55.9950 29.2821 176.5138 104 L 4.7004 7.7212 116.0034 55.1122 44.5117 175.7753 105 D 4.7536 7.8069 115.6858 55.3173 43.1774 176.6288 106 A 4.4290 7.7008 119.6447 52.3686 19.4912 177.0657 107 L 4.7462 7.8618 114.8531 54.4115 43.1421 175.9551 108 R 4.7114 7.9168 116.7287 56.7421 30.5758 175.4085 109 S 4.7505 8.4153 109.1581 57.9177 64.0472 174.2584 110 K 4.6835 8.9381 123.0116 53.3817 32.8002 179.9860 *111 Y 4.2494 8.1379 123.9752 57.9157 37.5985 174.0776 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 *19 H 8.43 4.58 0.00 2.95 2.98 0.00 7.20 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 G 8.27 3.89 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 0.00 0.00 0.00 22 T 8.36 4.46 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 1.23 0.00 0.00 23 S 8.53 4.60 0.00 3.85 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 24 L 8.15 4.48 0.00 1.60 1.61 0.77 0.80 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 25 T 7.98 4.71 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 26 D 8.81 4.30 0.00 2.68 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 27 E 8.15 3.92 0.00 1.95 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 2.39 2.37 0.00 28 E 7.63 3.89 0.00 2.05 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 2.33 2.31 0.00 29 L 8.16 4.03 0.00 1.55 1.84 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.87 3.75 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 0.83 0.00 0.00 0.84 0.00 0.00 31 T 7.68 4.15 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 1.20 0.00 0.00 *33 S 7.00 4.26 0.00 4.03 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 34 V 8.38 3.50 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 1.03 0.00 0.00 0.94 0.00 0.00 35 R 7.91 4.04 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 36 E 7.95 3.96 0.00 2.18 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 2.35 2.33 0.00 37 L 8.32 3.98 0.00 1.58 1.90 0.93 1.30 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 38 N 8.07 4.47 0.00 2.98 2.86 0.00 0.00 7.12 7.29 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 39 Q 7.78 4.05 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 40 H 8.09 4.35 0.00 3.31 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.46 4.38 0.00 1.88 1.70 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.26 4.04 0.00 1.89 1.90 0.00 3.11 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 43 G 9.41 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 44 L 7.42 3.92 0.00 1.84 1.66 0.96 0.99 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 45 S 8.59 4.32 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 46 K 8.61 3.80 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 47 E 8.26 3.96 0.00 2.01 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 2.41 2.33 0.00 48 E 7.85 3.97 0.00 2.07 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 2.31 2.35 0.00 49 I 7.93 3.73 2.07 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 1.53 0.77 0.92 0.00 0.00 50 I 7.78 3.65 2.06 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 1.52 1.02 0.91 0.00 0.00 51 Q 8.15 3.98 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 52 L 7.88 3.93 0.00 1.85 1.86 0.91 0.52 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 53 K 8.62 3.98 0.00 1.91 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.57 7.81 54 Q 8.40 3.92 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 55 R 8.62 3.94 0.00 1.93 2.08 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 56 R 8.10 3.82 0.00 2.02 2.12 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 57 R 7.99 3.88 0.00 2.00 2.11 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 58 T 8.36 3.84 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 1.20 0.00 0.00 59 L 8.17 3.97 0.00 2.01 1.64 0.95 1.19 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 60 K 8.22 3.66 0.00 1.87 1.53 0.00 1.53 0.00 0.00 1.46 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.62 7.81 61 N 8.78 4.56 0.00 2.88 2.94 0.00 0.00 6.65 8.32 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 62 R 7.89 3.96 0.00 1.97 2.02 0.00 3.05 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 63 G 7.40 3.36 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 0.00 64 Y 7.28 4.46 0.00 3.24 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 65 A 8.58 4.06 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 66 A 7.91 3.92 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 67 S 8.69 4.09 0.00 4.01 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 68 C 7.93 4.12 0.00 3.21 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 69 R 7.99 4.07 0.00 2.09 1.97 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 70 V 8.12 3.46 2.32 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 1.07 0.00 0.00 1.00 0.00 0.00 71 K 8.91 3.99 0.00 1.89 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 72 R 7.89 3.90 0.00 2.22 1.96 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 73 V 7.67 3.53 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 1.07 0.00 0.00 0.97 0.00 0.00 74 T 8.24 3.80 4.42 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 1.21 0.00 0.00 75 Q 8.31 4.09 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 76 K 7.87 4.11 0.00 1.94 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 77 E 8.21 4.26 0.00 2.15 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 2.33 2.44 0.00 78 E 7.97 4.08 0.00 2.11 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 2.56 2.54 0.00 79 L 7.88 4.18 0.00 1.92 1.71 0.92 0.95 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 80 E 8.07 4.11 0.00 2.13 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 2.40 2.37 0.00 81 K 8.13 4.30 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 82 Q 8.86 4.72 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 83 K 7.72 4.23 0.00 1.92 2.04 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.38 7.81 84 A 7.93 4.19 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 85 E 7.62 4.47 0.00 1.95 1.96 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 2.25 2.39 0.00 86 L 7.56 4.73 0.00 1.70 1.64 0.96 0.92 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 87 Q 7.80 4.33 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 88 Q 7.53 4.33 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 89 E 7.84 4.46 0.00 2.18 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 2.29 2.34 0.00 90 V 7.44 3.59 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 0.84 0.00 0.00 0.93 0.00 0.00 91 E 8.02 4.36 0.00 2.22 2.02 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 2.33 2.41 0.00 92 K 7.72 4.31 0.00 1.88 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 93 L 7.25 4.71 0.00 1.74 1.70 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.61 4.30 1.38 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 0.00 0.00 0.00 95 S 8.08 4.44 0.00 4.10 4.16 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 96 E 7.53 4.19 0.00 2.04 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 2.26 2.11 0.00 97 N 7.53 4.64 0.00 2.93 2.93 0.00 0.00 7.07 7.84 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 98 A 7.99 4.26 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 99 S 7.71 4.31 0.00 3.87 4.01 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 *101 K 8.01 4.35 0.00 1.75 1.84 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 102 L 7.78 4.39 0.00 1.71 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.80 4.59 0.00 2.14 1.93 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 2.29 2.27 0.00 104 L 7.72 4.70 0.00 1.54 1.58 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.81 4.75 0.00 2.88 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 0.00 106 A 7.70 4.43 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 0.00 107 L 7.86 4.75 0.00 1.54 1.61 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.92 4.71 0.00 1.74 1.99 0.00 3.28 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 109 S 8.42 4.75 0.00 3.95 3.85 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 0.00 110 K 8.94 4.68 0.00 1.74 1.64 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *111 Y 8.14 4.25 0.00 2.44 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.