NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6751 8.2827 119.2056 53.1751 40.4623 174.7613 3 Q 3.7672 8.7251 125.7700 58.5301 29.0819 177.1004 4 L 3.9468 7.7852 121.2342 58.1148 42.5134 178.0040 5 D 4.3163 8.1460 117.5239 57.5291 41.4621 178.1017 6 Q 4.0277 8.3687 118.8569 58.6507 28.5836 178.6092 7 L 4.1309 8.4083 121.9594 58.1105 42.1118 179.1129 8 G 3.6659 8.4824 106.4023 48.1418 0.0000 175.7006 9 T 3.9354 7.9863 112.3708 64.5384 68.8874 176.8124 10 R 4.0740 7.6082 119.9193 58.5480 30.1712 178.9132 11 I 3.8128 8.0397 113.3220 64.0699 37.6604 178.1409 12 N 4.3590 8.0656 118.0705 55.5282 38.1840 177.3218 13 L 3.9449 7.7957 121.6506 58.1191 42.2767 178.8428 14 I 3.6968 7.5594 119.3127 64.6219 37.1207 177.6776 15 C 4.0644 8.2191 119.4552 62.6969 31.2212 175.1176 16 N 4.2957 8.3189 118.3581 56.9309 38.5102 177.0269 17 V 3.6444 8.2247 119.8774 65.7280 31.6173 177.6952 18 F 4.2805 8.9145 120.9842 61.6090 39.3066 176.9040 19 D 4.3273 8.3936 118.4509 57.0434 40.5730 178.7662 20 K 3.8564 8.2639 120.5454 59.0681 32.0125 178.5711 21 W 3.7148 7.9154 127.4545 60.4995 30.8385 177.4145 22 I 3.0087 7.4490 119.6619 64.2443 36.4571 178.6914 23 G 3.6507 7.7535 106.1345 47.3682 0.0000 175.2420 24 Q 4.0086 7.2456 118.1330 57.2672 28.7960 177.2059 25 Q 3.9949 6.9596 118.1974 54.8935 28.9367 175.2112 26 D 4.4433 7.6915 118.6291 55.2647 38.8390 173.2697 27 L 4.9167 7.3037 120.0695 52.6853 45.0767 174.4956 28 N 5.2526 8.0997 115.5469 50.8088 41.7620 174.2825 29 Y 3.9506 8.5004 120.1362 61.0030 38.3589 177.6199 30 N 4.3628 8.3298 116.7324 56.4382 38.6355 177.2754 31 L 4.0084 8.5127 120.5049 57.6089 41.7311 179.1794 32 F 3.9178 8.4198 120.7307 61.1485 38.9541 176.7199 33 A 2.6826 7.7422 120.6093 55.0013 18.0659 179.7328 34 V 3.5300 7.1997 115.0890 66.0538 31.6962 178.1246 35 L 3.9147 8.0326 118.8249 58.0833 41.5489 179.1350 36 Y 3.8551 7.9857 119.6894 60.6544 38.4923 177.7485 37 T 3.9310 7.4964 116.4776 66.8238 68.5003 176.6367 38 L 4.3039 8.2200 121.8478 57.0926 41.3751 179.3814 39 A 3.9835 7.8561 120.3585 54.2335 18.3979 178.7299 40 T 4.2345 7.3240 105.8350 61.8801 70.1309 175.1171 41 E 4.4317 8.3302 119.1914 55.2180 32.1603 177.8570 42 G 3.8304 7.6888 106.8279 44.7633 0.0000 172.5562 43 S 4.9988 8.2992 117.6008 58.7143 63.4778 174.2812 44 R 4.7931 8.2840 121.4338 54.9874 34.9665 174.5445 45 T 4.5294 8.4576 111.3964 61.2189 69.9737 175.5223 46 Q 4.0843 8.2521 123.7956 59.2048 28.5997 179.5242 47 K 3.9825 8.0906 120.0042 59.7482 32.2334 178.0814 48 H 4.0918 8.2644 118.4425 59.3420 29.8080 177.2021 49 I 3.9547 7.8202 121.1741 64.4149 37.0129 178.5668 50 G 3.7706 8.4782 106.8060 47.9703 0.0000 175.5891 51 E 3.9572 8.4688 121.4949 58.8686 29.2979 179.1334 52 K 3.6289 7.9465 118.6592 58.8811 32.2486 177.8826 53 W 4.7645 7.8957 115.0483 55.4408 30.0089 176.0043 54 S 3.8519 7.8263 113.6569 60.0732 60.0396 171.6946 55 L 4.9541 8.3954 119.1093 52.0414 44.4827 176.1467 56 P 4.5482 0.0000 0.0000 62.5132 33.4499 177.6451 57 K 3.9906 8.6770 118.9852 59.8704 32.0118 179.5653 58 Q 4.0163 8.0622 117.6505 59.3264 28.8795 178.6825 59 T 3.9189 7.9806 116.1596 66.7253 68.4468 176.6443 60 V 3.6342 7.7047 119.4243 66.2225 31.5716 178.1217 61 S 4.3424 8.4069 115.1775 61.5667 62.7495 177.0049 62 G 3.6378 8.2258 108.2551 47.9370 0.0000 175.9144 63 V 3.6474 7.7016 120.9018 65.7637 31.4777 177.8210 64 C 4.0557 8.4127 116.7130 62.5792 27.9421 175.9084 65 K 4.1350 8.4512 121.3757 59.9764 31.8611 178.9745 66 T 3.8702 7.8002 115.3485 66.7264 68.3176 176.7707 67 L 3.8801 8.0244 120.6642 57.5508 41.5004 179.4665 68 A 4.0927 8.2115 121.1203 55.0934 18.1343 179.9648 69 G 3.6433 8.0102 102.9833 47.3299 0.0000 174.8663 70 Q 4.4001 7.5746 117.5769 55.0098 28.9538 176.2247 71 G 3.8902 7.8970 108.1357 46.3455 0.0000 174.8061 72 L 4.3219 8.0214 122.1134 55.4980 43.0094 176.2327 73 I 5.0678 7.2420 110.3602 59.2488 41.3015 174.2414 74 E 4.5625 8.6367 118.2526 54.9955 32.8187 174.5858 75 W 5.0344 8.7955 122.4461 56.0364 30.2972 176.2781 76 Q 4.3714 8.6852 122.1170 56.1093 29.2570 175.3568 77 E 4.3965 8.5817 119.5568 55.6278 30.6247 176.1047 78 G 3.9686 7.9420 109.6796 45.5642 0.0000 172.4391 79 E 4.4247 8.5666 119.3415 55.6768 29.3425 174.7016 80 Q 4.6173 7.4148 115.4625 53.8260 33.8809 174.9885 81 D 4.4958 8.3681 118.6554 54.2580 41.5910 178.2956 82 R 3.8872 8.2253 118.0101 58.9158 29.6196 179.2173 83 R 4.2572 8.2320 114.8196 57.9015 29.5795 177.7132 84 K 4.5238 7.6133 114.4549 56.2841 32.7808 175.6726 85 R 4.7896 7.6399 119.2605 54.4998 32.6884 175.6847 86 L 4.1785 8.5433 124.2993 55.0450 42.9806 175.5863 87 L 4.9176 8.7793 126.0994 53.5819 44.2599 175.0476 88 S 4.9692 8.7193 119.5930 56.1803 66.2919 172.8545 89 L 4.5691 8.4172 125.9895 54.8111 42.3727 177.1957 90 T 4.1549 8.3801 114.2806 61.1339 70.4494 175.4836 91 E 3.9496 8.8989 120.5342 59.9137 29.3870 179.7403 92 T 4.0312 7.9640 109.3505 64.7374 68.7331 176.5315 93 G 3.5520 8.1254 108.5958 47.3966 0.0000 175.9822 94 K 3.9789 8.1881 120.5667 59.1777 31.9146 179.1970 95 A 3.9933 7.5599 119.3478 55.3979 18.3821 178.5351 96 Y 4.1094 7.9758 116.4324 61.0416 39.1840 178.1331 97 A 4.2096 8.7617 121.2097 54.1208 18.5538 179.1018 98 A 3.9755 7.9374 120.1037 55.3872 18.4323 178.2020 99 P 4.2686 0.0000 0.0000 65.2953 31.3235 178.7896 100 L 4.0145 7.8388 119.2916 58.3788 42.1185 178.8871 101 T 4.3155 8.1955 109.8308 64.9335 68.5176 176.3494 102 E 4.0582 8.4235 121.6647 59.3294 29.5984 179.4760 103 S 4.3055 8.4589 114.1410 61.3634 62.9446 176.3518 104 A 4.0683 8.7012 124.5508 55.1944 18.2389 179.4414 105 Q 4.0357 8.6925 118.3994 59.0988 29.0985 178.0109 106 E 3.9964 8.7484 120.8680 59.2844 29.8096 178.4006 107 F 4.2150 8.8646 121.0988 61.5093 39.3240 177.0176 108 S 4.2147 8.4449 112.8142 61.6432 62.1032 175.9177 109 D 4.4783 8.3543 121.5932 57.2476 39.2006 178.9196 110 K 4.0080 8.0868 119.2362 59.0358 32.0534 179.7190 111 V 3.3003 7.4933 118.5303 65.7862 31.4132 177.8543 112 F 4.4578 7.9989 115.9195 58.9558 38.7298 177.7346 113 A 4.0302 7.6267 120.5736 55.4073 18.2155 179.4350 114 T 4.0436 7.1931 113.3896 66.5616 68.7266 176.7987 115 F 4.1390 7.8742 121.7690 58.7331 40.1410 176.0224 116 G 4.0532 8.4028 106.1925 46.2356 0.0000 173.9907 117 D 4.3906 8.5192 121.9268 55.9002 39.7753 179.1992 118 K 3.8952 7.8711 119.5005 59.3278 32.1296 179.1276 119 R 3.8124 7.7892 118.4290 59.4791 29.9096 178.5915 120 T 3.9165 7.9012 115.7498 66.8594 68.4475 176.7135 121 T 3.7753 7.8832 117.7638 66.5946 68.4566 176.6553 122 R 3.8923 7.9436 120.5570 59.2526 30.1050 178.2966 123 L 4.0608 8.1213 120.2581 58.2588 42.1033 179.0047 124 F 4.5429 8.3242 117.5827 60.6713 38.8662 177.5728 125 A 4.1102 8.3258 120.4552 55.2824 18.1517 179.4812 126 D 4.3555 8.3131 117.4692 57.4533 40.8125 179.0419 127 L 4.0329 8.2534 119.6382 57.7622 41.6310 179.0973 128 D 4.3296 8.6298 119.1001 57.4264 40.8043 178.9110 129 A 3.9969 8.1452 121.0359 55.0418 18.1812 179.6518 130 L 3.9092 7.8826 116.1388 57.9188 41.8259 179.1688 131 A 4.1232 7.9280 119.3937 55.1365 18.5755 178.7465 132 E 4.0654 8.2351 117.7021 59.5785 29.5475 180.4751 133 V 3.4934 7.6744 114.9622 63.5559 31.3269 177.3087 *135 E 4.2352 8.1073 117.9637 55.8292 31.4719 178.1823 136 K 3.9500 8.0169 119.2123 59.7885 32.0613 179.0619 137 T 4.1572 8.1587 117.6967 66.1279 68.1660 176.8736 138 I 3.7004 7.6633 120.2099 64.3703 37.3668 178.1502 139 S 4.2804 8.2265 115.9780 61.7202 62.7943 176.5637 140 E 3.9809 8.3091 121.1790 59.5709 29.0815 178.9782 141 N 4.6098 8.2472 114.2607 54.8664 38.6036 175.8848 142 K 4.2978 7.6882 124.8178 56.5410 32.4605 176.2670 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 2 N 8.28 4.68 0.00 2.78 2.75 0.00 0.00 6.70 6.67 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 3 Q 8.73 3.77 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 4 L 7.79 3.95 0.00 1.90 1.78 0.92 1.14 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 5 D 8.15 4.32 0.00 2.83 2.82 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 6 Q 8.37 4.03 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 7 L 8.41 4.13 0.00 1.81 1.80 0.94 0.95 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 8 G 8.48 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.99 3.94 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 1.24 0.00 0.00 10 R 7.61 4.07 0.00 2.09 2.02 0.00 3.31 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 11 I 8.04 3.81 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.61 0.96 0.00 0.00 12 N 8.07 4.36 0.00 2.87 2.91 0.00 0.00 6.63 7.74 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 13 L 7.80 3.94 0.00 1.88 1.84 0.94 1.11 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 14 I 7.56 3.70 1.88 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 1.68 0.61 0.91 0.00 0.00 15 C 8.22 4.06 0.00 3.11 3.12 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 16 N 8.32 4.30 0.00 3.06 3.01 0.00 0.00 6.91 7.25 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 17 V 8.22 3.64 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 1.14 0.00 0.00 1.04 0.00 0.00 18 F 8.91 4.28 0.00 3.25 3.34 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 19 D 8.39 4.33 0.00 3.05 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 20 K 8.26 3.86 0.00 1.91 2.01 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 21 W 7.92 3.71 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 22 I 7.45 3.01 1.67 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.14 0.61 0.00 0.00 23 G 7.75 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 24 Q 7.25 4.01 0.00 1.71 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 25 Q 6.96 3.99 0.00 1.68 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.58 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.00 26 D 7.69 4.44 0.00 2.71 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 27 L 7.30 4.92 0.00 1.52 1.53 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.10 5.25 0.00 2.94 2.86 0.00 0.00 5.60 7.57 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 29 Y 8.50 3.95 0.00 3.16 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 30 N 8.33 4.36 0.00 2.86 2.91 0.00 0.00 7.09 6.74 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 31 L 8.51 4.01 0.00 1.93 1.73 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.42 3.92 0.00 2.97 2.91 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 33 A 7.74 2.68 1.03 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 0.00 0.00 34 V 7.20 3.53 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 0.93 0.00 0.00 0.90 0.00 0.00 35 L 8.03 3.91 0.00 1.70 1.73 1.08 0.94 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 36 Y 7.99 3.86 0.00 1.84 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 0.00 0.00 0.00 37 T 7.50 3.93 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 1.36 0.00 0.00 38 L 8.22 4.30 0.00 1.62 1.64 0.80 0.31 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 39 A 7.86 3.98 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 40 T 7.32 4.23 4.03 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 0.54 0.00 0.00 41 E 8.33 4.43 0.00 2.05 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 2.22 2.20 0.00 42 G 7.69 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 43 S 8.30 5.00 0.00 3.74 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 44 R 8.28 4.79 0.00 1.69 1.77 0.00 2.69 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 45 T 8.46 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 46 Q 8.25 4.08 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 47 K 8.09 3.98 0.00 1.87 1.85 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 48 H 8.26 4.09 0.00 3.34 3.49 0.00 5.84 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 49 I 7.82 3.95 2.12 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 1.58 0.84 1.05 0.00 0.00 50 G 8.48 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.96 0.00 2.15 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 2.32 2.33 0.00 52 K 7.95 3.63 0.00 1.52 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.32 1.04 7.81 53 W 7.90 4.76 0.00 3.39 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.83 3.85 0.00 4.16 4.03 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 55 L 8.40 4.95 0.00 1.72 1.69 1.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.55 0.00 2.46 2.22 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 57 K 8.68 3.99 0.00 1.86 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.58 7.81 58 Q 8.06 4.02 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 59 T 7.98 3.92 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 60 V 7.70 3.63 2.28 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 1.18 0.00 0.00 1.05 0.00 0.00 61 S 8.41 4.34 0.00 4.09 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 62 G 8.23 3.64 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 0.00 0.00 0.00 63 V 7.70 3.65 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 1.05 0.00 0.00 1.02 0.00 0.00 64 C 8.41 4.06 0.00 3.30 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 65 K 8.45 4.14 0.00 2.04 2.06 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.60 7.81 66 T 7.80 3.87 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 1.20 0.00 0.00 67 L 8.02 3.88 0.00 1.55 1.53 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.21 4.09 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 69 G 8.01 3.64 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 0.00 0.00 0.00 70 Q 7.57 4.40 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 71 G 7.90 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 72 L 8.02 4.32 0.00 1.42 1.38 -0.02 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.24 5.07 1.61 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.21 0.73 0.00 0.00 74 E 8.64 4.56 0.00 2.00 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 2.29 2.24 0.00 75 W 8.80 5.03 0.00 3.35 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 76 Q 8.69 4.37 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 77 E 8.58 4.40 0.00 2.00 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 2.32 2.26 0.00 78 G 7.94 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 79 E 8.57 4.42 0.00 1.91 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 2.24 2.37 0.00 80 Q 7.41 4.62 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 81 D 8.37 4.50 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.23 3.89 0.00 0.67 1.43 0.00 2.21 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.07 0.00 83 R 8.23 4.26 0.00 2.06 2.26 0.00 3.12 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 84 K 7.61 4.52 0.00 1.97 1.95 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.51 7.81 85 R 7.64 4.79 0.00 2.07 2.13 0.00 3.40 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 86 L 8.54 4.18 0.00 1.68 1.60 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.78 4.92 0.00 1.80 1.52 0.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.72 4.97 0.00 3.82 3.67 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 0.00 0.00 0.00 0.00 89 L 8.42 4.57 0.00 1.49 1.54 0.84 0.87 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 90 T 8.38 4.15 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 1.19 0.00 0.00 91 E 8.90 3.95 0.00 1.99 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 2.39 2.31 0.00 92 T 7.96 4.03 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 1.20 0.00 0.00 93 G 8.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.98 0.00 1.97 1.87 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.64 7.81 95 A 7.56 3.99 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 96 Y 7.98 4.11 0.00 3.09 3.08 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 97 A 8.76 4.21 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 98 A 7.94 3.98 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 99 P 0.00 4.27 0.00 2.09 2.07 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 100 L 7.84 4.01 0.00 1.75 1.94 0.96 0.91 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 0.00 101 T 8.20 4.32 4.36 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 1.23 0.00 0.00 102 E 8.42 4.06 0.00 2.26 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 0.00 2.39 2.47 0.00 103 S 8.46 4.31 0.00 4.32 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 0.00 104 A 8.70 4.07 1.74 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 0.00 105 Q 8.69 4.04 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 106 E 8.75 4.00 0.00 2.29 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 0.00 2.42 2.40 0.00 107 F 8.86 4.21 0.00 3.04 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 0.00 108 S 8.44 4.21 0.00 4.18 4.11 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 0.00 0.00 0.00 0.00 109 D 8.35 4.48 0.00 2.92 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 0.00 110 K 8.09 4.01 0.00 1.87 1.78 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 111 V 7.49 3.30 1.36 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 0.10 0.00 0.00 -0.13 0.00 0.00 112 F 8.00 4.46 0.00 3.28 3.07 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 0.00 113 A 7.63 4.03 1.41 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 0.00 114 T 7.19 4.04 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 1.22 0.00 0.00 115 F 7.87 4.14 0.00 2.95 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 0.00 116 G 8.40 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 0.00 117 D 8.52 4.39 0.00 2.85 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 0.00 118 K 7.87 3.90 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.40 7.81 119 R 7.79 3.81 0.00 1.60 1.81 0.00 2.63 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.36 0.00 120 T 7.90 3.92 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 0.37 0.00 0.00 121 T 7.88 3.78 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 1.22 0.00 0.00 122 R 7.94 3.89 0.00 1.87 2.07 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 123 L 8.12 4.06 0.00 2.01 1.84 1.02 0.84 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 0.00 124 F 8.32 4.54 0.00 3.19 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 0.00 125 A 8.33 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.36 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.03 0.00 1.92 1.74 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.63 4.33 0.00 2.86 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 0.00 129 A 8.15 4.00 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 0.00 130 L 7.88 3.91 0.00 1.69 1.76 0.99 0.69 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 0.00 131 A 7.93 4.12 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 0.00 132 E 8.24 4.07 0.00 2.09 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 0.00 2.31 2.38 0.00 133 V 7.67 3.49 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 1.07 0.00 0.00 1.02 0.00 0.00 *135 E 8.11 4.24 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 2.43 2.24 0.00 136 K 8.02 3.95 0.00 1.89 2.04 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.48 7.81 137 T 8.16 4.16 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 1.21 0.00 0.00 138 I 7.66 3.70 2.01 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 1.64 0.47 0.91 0.00 0.00 139 S 8.23 4.28 0.00 4.06 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 0.00 140 E 8.31 3.98 0.00 2.17 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 2.33 2.44 0.00 141 N 8.25 4.61 0.00 2.80 2.88 0.00 0.00 7.10 8.47 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 0.00 142 K 7.69 4.30 0.00 1.85 1.71 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.68 7.81 * Residues marked with a * may have inaccurate shift predictions.