NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *25 H 4.6114 8.4449 117.3818 54.4760 29.7067 172.4310 *27 T 4.1541 8.1664 114.8635 64.2021 69.0838 174.2312 28 S 3.5134 8.4840 121.3452 56.8964 63.1901 172.1464 29 P 4.3641 0.0000 0.0000 63.8414 31.7184 176.4139 30 F 5.0783 7.7478 118.4260 57.1957 39.6732 175.6855 31 K 4.5962 9.6632 123.1301 56.2233 32.9901 176.4788 32 L 4.9090 7.7638 118.4074 51.8955 44.9791 174.5117 33 P 4.5753 0.0000 0.0000 61.9388 32.3107 175.6015 34 D 4.5008 8.3853 118.4559 54.6765 41.5979 175.4212 35 E 4.8028 8.6117 123.5126 55.8459 30.7528 176.5755 36 S 3.9124 8.5927 115.9103 58.1039 63.3042 173.1137 37 P 4.5783 0.0000 0.0000 62.0952 32.1934 176.7985 38 S 4.4460 8.3619 115.2804 57.7587 65.2028 174.9946 39 W 4.4733 8.8134 131.4683 61.1025 30.2854 178.1508 40 T 3.7461 7.9914 115.1664 66.5389 67.9355 176.0739 41 E 3.9354 8.3139 121.2222 58.9801 29.6692 178.4837 42 W 4.2126 8.5495 128.4917 60.7376 30.7976 178.1018 43 R 3.5981 8.4612 117.8755 59.1924 29.2636 179.0572 44 L 3.9158 7.8405 117.7944 58.0035 41.8753 178.7675 45 H 4.3859 8.4216 118.4004 59.2111 29.2950 177.0067 46 N 3.9872 7.7967 118.3011 56.3498 38.1467 176.7724 47 D 4.4163 7.6738 117.5815 55.9843 41.0056 177.5482 48 E 4.3186 7.7610 118.5574 55.4272 30.4010 176.6208 49 T 4.2564 7.5469 103.1633 61.6286 68.3386 177.6496 *53 Q 4.0511 8.8725 116.8242 56.6905 29.5100 174.6810 54 D 4.7231 8.5284 117.4345 53.0562 40.7875 177.4859 55 N 5.1184 7.6238 115.6445 52.7406 38.7337 171.1178 56 P 4.8503 0.0000 0.0000 61.9765 33.4142 177.1076 57 L 4.1887 8.8314 117.8916 57.8468 42.2337 176.8577 58 G 4.4067 7.5516 104.0288 46.1894 0.0000 172.2487 59 F 5.2523 7.6280 116.0085 55.0105 42.3158 174.1228 60 K 5.0150 8.7457 117.9525 54.5775 34.9682 175.4439 61 E 5.2545 9.1473 121.5809 55.1726 33.6391 174.2840 62 S 5.3853 8.6151 114.4181 57.1200 67.2956 172.7869 63 W 5.0016 9.5431 120.9146 54.8493 32.4865 174.5415 64 G 4.1640 9.2863 112.1775 44.1807 0.0000 171.8882 65 F 5.1295 8.7288 122.9270 55.0070 42.1566 176.0682 66 G 3.8344 9.2559 116.9199 47.0568 0.0000 174.4039 67 K 4.2449 8.8579 124.0175 55.9193 32.6025 175.8890 68 V 4.1537 7.4089 120.5783 60.6742 33.0056 174.8068 69 V 4.6876 7.7143 125.0694 59.6604 34.1439 174.5192 70 F 5.0550 9.3179 121.7455 55.7696 41.7349 174.6434 71 K 5.2944 8.8761 120.9530 55.0299 36.1395 175.7499 72 R 4.6799 8.6803 119.9379 54.9659 35.1396 173.3678 73 Y 4.6905 9.1421 124.5157 55.6892 41.3667 174.2070 74 L 5.0526 7.3187 126.1636 52.5225 45.3077 176.3014 75 R 4.6886 9.2669 123.1227 56.6783 30.6687 175.7776 76 Y 5.3305 9.2372 123.8816 56.1395 42.5356 174.6463 77 D 4.6831 8.2314 124.5348 52.8993 39.9005 176.7478 78 R 3.4612 6.2193 115.1697 57.6302 27.5564 176.6970 79 T 4.4545 7.5264 112.1664 61.1842 71.6229 176.2259 80 E 3.9993 8.5709 120.4225 61.0703 29.7755 179.4363 81 A 4.2115 7.9405 121.2417 55.2129 18.7116 179.5330 82 S 4.1358 8.0098 111.4606 61.4147 62.4684 176.0414 83 L 4.1059 8.3996 123.2804 58.4742 41.6400 178.3945 84 H 4.0807 8.1603 116.9517 59.1646 30.1187 176.8154 85 R 4.0216 8.1176 120.3575 59.8223 30.0318 179.0474 86 V 3.8124 8.0715 111.8747 64.0352 31.3439 178.2567 87 L 4.0971 7.8528 117.6891 56.3206 40.5158 177.7975 88 G 3.8936 7.6220 107.9142 45.2576 0.0000 175.8411 89 S 4.4893 8.0484 116.6504 60.4520 63.3160 174.0228 90 W 5.1396 6.9246 116.1739 54.6812 30.8230 173.6426 91 T 4.8575 9.0398 110.4431 59.1067 72.8335 175.1762 92 G 3.7426 8.6626 107.0061 48.0970 0.0000 175.5979 93 D 4.3569 8.0373 120.9238 57.2084 41.0944 178.8701 94 S 4.1351 8.1682 114.8144 61.2822 62.9672 176.7754 95 V 3.0345 7.8080 121.9412 65.5334 31.0813 177.5522 96 N 4.1315 8.0793 116.8989 56.7052 38.5410 176.2388 97 Y 3.9007 7.8118 119.8200 60.5009 39.1624 177.5427 98 A 3.7016 7.6221 121.2521 54.9131 18.4187 179.5322 99 A 2.8182 7.4029 119.8955 54.6227 18.2692 179.9287 100 S 2.0000 7.3983 112.8434 60.7386 62.5215 176.7059 101 R 3.5166 6.6724 119.9901 58.1635 29.6600 176.7863 102 F 4.6705 7.2314 114.9175 56.9558 39.5452 175.9594 103 F 4.9045 7.5559 120.5776 57.7211 39.5818 175.5823 104 G 4.0232 8.3151 113.7155 45.6215 0.0000 172.4557 *105 F 4.1392 8.9789 117.1401 59.7965 38.1574 171.7372 106 D 4.7906 7.6897 119.3884 52.7377 41.9641 176.0715 107 Q 4.1593 8.3295 122.0817 55.9147 29.9342 174.9970 108 I 4.6772 8.1198 116.6619 58.8145 41.2985 174.6189 109 G 4.1461 8.5882 110.5783 46.2776 0.0000 172.3016 110 C 5.7427 9.3780 122.2556 58.3361 32.1096 173.0452 111 T 5.1128 8.9637 116.1299 60.8751 71.1696 171.5634 112 Y 4.2503 8.7633 129.2108 55.5272 41.5589 174.3956 113 S 4.8036 7.6542 121.3217 56.6395 67.5513 172.8982 114 I 4.9040 8.3334 122.4534 59.4738 41.8676 173.4925 115 R 5.1480 9.3071 129.6372 54.6048 33.1885 174.1412 116 F 5.1974 9.4708 127.8533 57.6133 43.2090 174.2845 117 R 3.7557 9.2519 126.3178 57.3691 27.0741 177.4027 118 G 3.9749 8.2915 104.1853 45.4104 0.0000 173.4485 119 V 4.4040 7.3524 119.5182 60.8665 33.5949 174.2234 120 S 5.1303 8.4523 119.5476 56.4011 65.3436 172.9087 121 I 4.6918 8.5795 126.9870 59.7980 40.5600 174.4982 122 T 4.9502 8.5191 122.2260 61.6624 71.8517 173.2333 123 V 4.5087 8.9534 126.9031 61.1503 33.5717 174.5675 124 S 5.2257 8.9234 121.4829 56.4207 66.7121 173.0819 125 G 3.9857 8.0926 107.6772 46.3368 0.0000 172.5205 126 G 4.2292 7.9750 108.6213 44.5887 0.0000 175.0390 127 S 4.1478 8.7933 115.6239 61.0474 62.8950 176.9916 128 R 3.9246 8.4193 119.6301 58.2052 30.0156 177.7710 129 T 4.5164 8.0233 108.3664 61.3266 68.9234 175.5700 130 L 4.0678 7.7329 127.7615 59.6520 42.0526 179.6570 131 Q 4.0479 8.0956 119.6428 60.8427 27.8537 180.3067 132 H 4.8673 7.9636 117.8326 57.9902 28.8700 177.3809 133 L 4.2664 8.1438 120.4081 58.2991 41.7717 179.1521 134 C 4.7015 8.7028 116.9005 62.7758 27.8427 176.1181 135 E 4.3582 8.0150 115.6911 57.2573 28.5813 178.4901 *137 A 4.3458 7.8664 123.9070 52.3311 20.6214 179.7807 138 I 3.6619 8.2321 115.5442 64.1775 37.9074 178.3767 139 R 3.9574 7.9195 119.0985 59.2656 29.6836 179.1484 140 S 4.1788 8.0220 113.6509 61.2382 62.9579 176.1561 141 K 4.0508 8.1049 121.6391 59.5719 32.3503 178.2825 142 Q 4.0295 7.9509 119.7449 59.0569 28.7112 178.8369 143 E 4.3302 7.8386 116.6066 56.7795 29.5599 178.0177 *145 L 3.8090 7.9244 120.1969 53.9384 43.5263 176.7893 146 Q 4.3406 7.5994 116.7663 54.0225 29.0789 175.4795 *148 A 4.1569 8.4461 125.1529 52.3512 18.9165 175.9841 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 H 8.44 4.61 0.00 2.95 2.93 0.00 7.20 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 T 8.17 4.15 4.07 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 0.00 0.00 0.00 1.33 0.00 0.00 28 S 8.48 3.51 0.00 3.97 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 29 P 0.00 4.36 0.00 1.45 1.77 0.00 2.97 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.61 0.00 30 F 7.75 5.08 0.00 3.21 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 31 K 9.66 4.60 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 32 L 7.76 4.91 0.00 1.65 1.57 1.01 1.09 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 33 P 0.00 4.58 0.00 2.21 2.10 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 34 D 8.39 4.50 0.00 2.64 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 35 E 8.61 4.80 0.00 2.19 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 2.25 2.43 0.00 36 S 8.59 3.91 0.00 3.82 3.66 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 37 P 0.00 4.58 0.00 2.26 2.07 0.00 3.02 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 38 S 8.36 4.45 0.00 4.15 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 39 W 8.81 4.47 0.00 3.35 3.26 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 40 T 7.99 3.75 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 1.17 0.00 0.00 41 E 8.31 3.94 0.00 2.10 2.03 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 2.36 2.36 0.00 42 W 8.55 4.21 0.00 3.48 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.46 3.60 0.00 1.99 1.85 0.00 2.88 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.12 0.00 44 L 7.84 3.92 0.00 1.77 1.83 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.42 4.39 0.00 3.20 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.80 3.99 0.00 2.50 2.46 0.00 0.00 7.05 7.69 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 47 D 7.67 4.42 0.00 2.58 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 48 E 7.76 4.32 0.00 2.01 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 2.25 2.50 0.00 49 T 7.55 4.26 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 1.06 0.00 0.00 *53 Q 8.87 4.05 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.19 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 54 D 8.53 4.72 0.00 2.68 2.53 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 55 N 7.62 5.12 0.00 2.63 2.73 0.00 0.00 7.15 7.69 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 56 P 0.00 4.85 0.00 2.51 2.24 0.00 3.96 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.08 0.00 57 L 8.83 4.19 0.00 2.04 1.95 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.55 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.63 5.25 0.00 3.30 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 60 K 8.75 5.01 0.00 1.80 1.74 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.57 7.81 61 E 9.15 5.25 0.00 2.23 2.38 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 2.26 2.61 0.00 62 S 8.62 5.39 0.00 3.95 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 63 W 9.54 5.00 0.00 3.00 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 64 G 9.29 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 0.00 0.00 0.00 65 F 8.73 5.13 0.00 2.37 2.76 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 66 G 9.26 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 67 K 8.86 4.24 0.00 1.75 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.42 7.81 68 V 7.41 4.15 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 0.32 0.00 0.00 0.94 0.00 0.00 69 V 7.71 4.69 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 0.71 0.00 0.00 0.92 0.00 0.00 70 F 9.32 5.06 0.00 3.24 3.38 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 71 K 8.88 5.29 0.00 1.60 1.66 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 72 R 8.68 4.68 0.00 1.05 1.35 0.00 3.00 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 73 Y 9.14 4.69 0.00 3.01 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 74 L 7.32 5.05 0.00 0.63 1.26 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.27 4.69 0.00 1.72 1.94 0.00 3.48 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 76 Y 9.24 5.33 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 77 D 8.23 4.68 0.00 2.69 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 78 R 6.22 3.46 0.00 1.87 2.07 0.00 3.27 0.00 0.00 2.34 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 79 T 7.53 4.45 4.23 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 1.24 0.00 0.00 80 E 8.57 4.00 0.00 2.00 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 2.31 1.95 0.00 81 A 7.94 4.21 1.34 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 0.00 0.00 0.00 82 S 8.01 4.14 0.00 4.05 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 83 L 8.40 4.11 0.00 2.13 1.91 0.76 1.13 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 H 8.16 4.08 0.00 3.18 3.54 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.12 4.02 0.00 2.09 2.15 0.00 3.19 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 86 V 8.07 3.81 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 1.05 0.00 0.00 0.92 0.00 0.00 87 L 7.85 4.10 0.00 1.63 1.52 0.83 0.66 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 88 G 7.62 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 89 S 8.05 4.49 0.00 4.37 4.35 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 90 W 6.92 5.14 0.00 3.66 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 91 T 9.04 4.86 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 1.18 0.00 0.00 92 G 8.66 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.36 0.00 2.69 2.69 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 94 S 8.17 4.14 0.00 4.10 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 95 V 7.81 3.03 1.72 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 -0.15 0.00 0.00 -0.21 0.00 0.00 96 N 8.08 4.13 0.00 2.89 2.88 0.00 0.00 6.88 7.11 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 97 Y 7.81 3.90 0.00 2.92 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 98 A 7.62 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.40 2.82 0.40 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 0.00 100 S 7.40 2.00 0.00 3.75 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 0.00 101 R 6.67 3.52 0.00 1.25 1.30 0.00 2.92 0.00 0.00 2.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.79 0.00 102 F 7.23 4.67 0.00 3.04 3.13 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 0.00 0.00 0.00 0.00 103 F 7.56 4.90 0.00 3.09 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 0.00 104 G 8.32 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 *105 F 8.98 4.14 0.00 2.31 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 0.00 0.00 0.00 0.00 106 D 7.69 4.79 0.00 2.67 2.63 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 0.00 107 Q 8.33 4.16 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 108 I 8.12 4.68 1.99 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 1.04 0.00 0.00 109 G 8.59 4.15 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 0.00 110 C 9.38 5.74 0.00 3.13 3.17 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 0.00 111 T 8.96 5.11 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 1.09 0.00 0.00 112 Y 8.76 4.25 0.00 1.43 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 0.00 0.00 0.00 113 S 7.65 4.80 0.00 3.45 3.44 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 0.00 114 I 8.33 4.90 1.80 0.00 0.00 0.51 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 1.90 0.99 0.00 0.00 115 R 9.31 5.15 0.00 1.86 1.78 0.00 3.19 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 116 F 9.47 5.20 0.00 3.04 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 0.00 117 R 9.25 3.76 0.00 1.62 1.72 0.00 2.72 0.00 0.00 2.54 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 118 G 8.29 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 0.00 0.00 0.00 119 V 7.35 4.40 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 1.04 0.00 0.00 0.98 0.00 0.00 120 S 8.45 5.13 0.00 3.81 3.66 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 0.00 121 I 8.58 4.69 1.88 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 1.24 0.71 0.94 0.00 0.00 122 T 8.52 4.95 4.19 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 1.12 0.00 0.00 123 V 8.95 4.51 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 1.21 0.00 0.00 1.02 0.00 0.00 124 S 8.92 5.23 0.00 3.86 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 0.00 125 G 8.09 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 0.00 126 G 7.97 4.23 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 0.00 127 S 8.79 4.15 0.00 3.43 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 0.00 128 R 8.42 3.92 0.00 1.97 1.99 0.00 3.08 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 129 T 8.02 4.52 4.32 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 1.24 0.00 0.00 130 L 7.73 4.07 0.00 2.03 1.80 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.10 4.05 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 132 H 7.96 4.87 0.00 3.32 3.41 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.14 4.27 0.00 1.91 1.98 1.12 0.96 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 0.00 134 C 8.70 4.70 0.00 3.25 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 0.00 135 E 8.02 4.36 0.00 2.28 2.03 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 2.39 2.74 0.00 *137 A 7.87 4.35 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 0.00 138 I 8.23 3.66 1.84 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 1.02 0.00 0.00 139 R 7.92 3.96 0.00 1.88 1.98 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 140 S 8.02 4.18 0.00 4.09 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 0.00 141 K 8.10 4.05 0.00 2.00 1.98 0.00 2.15 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.23 1.32 7.81 142 Q 7.95 4.03 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 143 E 7.84 4.33 0.00 2.12 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 0.00 2.48 2.50 0.00 *145 L 7.92 3.81 0.00 1.24 0.88 -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.60 4.34 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 *148 A 8.45 4.16 1.28 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 * Residues marked with a * may have inaccurate shift predictions.