NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4886 8.1933 115.4165 58.2560 64.3933 174.3952 7 R 3.6939 8.3839 121.4771 56.9144 30.0788 177.4922 8 L 3.9569 8.2344 122.5986 57.9994 42.6271 177.9139 9 A 3.9711 8.0049 120.1826 55.4500 18.4453 179.4971 10 V 3.5580 7.4110 115.9236 66.2499 31.5324 178.1249 11 A 4.0634 8.3508 120.7728 54.9251 18.1636 179.8191 12 I 3.6622 8.0786 118.9312 64.8256 37.2331 178.0985 13 H 4.0509 8.3258 117.1938 59.0088 28.5939 177.6745 14 I 3.6975 7.6885 121.1784 64.6218 36.9721 178.4929 15 L 4.0227 8.0332 119.5336 57.7661 41.1751 179.5657 16 S 4.1187 8.3789 114.4989 61.9058 63.0045 176.5270 17 L 4.1433 7.9590 121.2677 58.0021 41.3763 179.8049 18 I 3.7403 7.9580 119.5417 63.9159 36.6805 178.3332 19 S 4.1018 7.8103 115.9651 62.2689 62.8776 176.5728 20 M 4.0886 7.6557 119.1144 55.8979 32.9409 176.1299 21 D 4.3317 7.9233 114.4431 55.2105 39.4480 172.5838 22 E 4.6472 7.7337 119.8779 55.5077 31.3783 176.1444 23 K 3.7676 8.2075 114.0835 57.6635 30.0147 175.9761 24 T 4.2312 7.5447 115.0764 62.5222 69.5067 175.7482 25 S 4.7705 8.4311 121.7598 58.2735 65.1026 175.4189 26 S 4.1706 8.4849 118.1651 61.3118 62.5448 176.4711 27 E 3.9336 8.1640 119.9860 59.8185 29.1045 178.9913 28 I 4.4449 7.5196 122.5109 63.1223 37.0131 178.4647 29 I 3.7976 7.6307 119.8099 64.3287 36.8960 178.2704 30 A 4.0311 8.2466 121.8094 55.3568 18.1788 179.1125 31 D 4.2894 8.5135 117.6716 57.8051 40.7293 179.0431 32 S 4.1181 8.7981 115.8942 61.8228 63.0758 176.7086 33 V 3.6810 8.6908 119.3087 62.5052 32.5003 174.7747 34 N 4.1676 8.2210 116.0419 54.9396 37.2672 172.5763 35 T 4.6968 7.1905 112.7100 60.7032 73.6727 174.4437 36 N 4.4235 8.5867 121.3149 53.3871 40.5123 173.5426 37 P 4.5840 0.0000 0.0000 64.0554 31.8159 178.6154 38 V 3.7197 7.5151 113.0702 64.1325 31.8727 177.8970 39 V 3.5241 7.7372 117.4993 66.1315 31.2665 177.8129 40 V 3.6266 7.5485 117.0877 66.3049 31.3373 178.1850 41 R 3.9230 7.7361 117.5446 59.1144 29.8960 178.8569 42 R 3.9112 8.4079 120.0815 59.2506 30.0313 178.1665 43 M 4.0151 8.7806 118.9236 58.8917 32.1442 179.0314 44 I 3.7545 8.1761 119.8007 64.1164 37.1391 178.7104 45 S 4.1882 8.1852 116.5268 61.1896 62.6817 176.5372 46 L 4.0437 7.9957 121.6721 57.9454 41.4125 179.3710 47 L 4.0460 8.1248 119.0422 57.9728 41.4157 179.9911 48 K 4.4635 7.9649 119.2948 58.7368 31.8259 179.1641 49 K 3.6613 8.3580 119.0866 59.3050 32.0227 177.5226 50 A 4.4264 8.2451 118.8553 50.9512 18.7335 176.4789 51 D 4.4625 8.7071 118.4077 56.3394 39.4091 175.2371 52 I 4.1537 8.4192 121.4213 62.7324 38.9809 176.2469 53 L 5.1502 7.8246 121.1066 53.0459 45.0729 175.8216 54 T 4.8404 8.9690 118.0084 60.6065 70.0200 172.9828 55 S 4.8908 8.4610 119.1971 56.2735 65.1465 173.8014 56 R 4.5292 7.9292 122.1225 55.8603 29.7730 173.3134 57 A 3.7744 7.2392 121.2636 51.1858 20.4304 177.9239 58 G 3.8975 10.4793 109.7760 45.2496 0.0000 173.5192 59 V 4.2742 7.0352 115.6104 60.4767 34.4202 172.3973 60 P 4.3314 0.0000 0.0000 63.4578 32.0816 178.0534 61 G 4.0250 8.7380 106.3560 45.3204 0.0000 170.6778 62 A 4.4289 8.0504 121.4134 52.3178 21.3262 175.1208 63 S 4.6793 8.4736 107.7760 57.2979 66.9145 174.4371 64 L 4.4164 8.4551 120.9727 55.2666 41.2075 177.6877 65 K 4.2777 9.0286 125.7591 58.3500 32.8961 176.2554 66 K 4.6976 7.6925 116.6933 54.3177 36.0506 174.7829 67 D 4.4851 8.3648 118.0634 53.3036 41.7683 174.9561 68 P 3.6035 0.0000 0.0000 65.5126 31.4742 177.7729 69 A 4.2025 9.0092 119.6773 53.4727 18.7349 177.5549 70 D 4.8446 8.7811 116.0511 53.7748 41.3268 176.3961 71 I 4.5467 7.4693 120.9957 59.0443 38.9097 175.1575 72 S 4.9482 8.3063 122.4020 57.0684 65.2274 175.1558 73 L 3.9989 8.3718 123.5828 57.8372 41.4654 179.3677 74 L 3.9438 8.6076 121.0393 58.3303 41.7577 178.5842 75 E 3.9620 7.9734 117.8770 59.3809 29.9357 178.8068 76 V 3.7360 7.7571 118.1318 66.1085 31.6325 176.8715 77 Y 4.2775 8.6266 119.5777 61.2460 38.5475 178.3520 78 R 3.7081 8.2313 118.1241 59.4605 30.0905 178.8582 79 A 4.0573 7.4174 117.8058 54.3401 18.3273 178.5513 80 V 4.1726 7.0878 107.4725 60.8631 32.3570 175.6268 81 Q 3.7362 7.4961 122.6185 55.6193 30.3734 175.7013 82 K 4.3255 7.9643 125.5048 56.6648 31.3683 177.6884 *94 N 4.6155 9.0089 125.1375 52.9504 39.7245 171.6911 95 P 4.8125 0.0000 0.0000 61.4029 33.6420 175.2397 96 K 4.2424 8.3916 116.9161 58.4726 33.3766 178.0005 97 C 4.0616 7.9254 117.5599 59.4479 33.2407 172.7180 98 P 4.2920 0.0000 0.0000 65.3588 31.0130 179.3443 99 V 3.6574 7.7836 117.0192 65.8178 31.4966 177.9152 100 G 3.6997 8.0883 104.9396 47.9381 0.0000 175.3167 101 K 3.9094 7.8616 121.0592 59.2341 32.1137 178.9681 102 K 3.7938 8.1164 118.2840 59.9348 32.0274 178.8901 103 I 3.6197 7.9097 119.3419 64.6606 37.0634 177.9099 104 Q 3.8495 8.2591 120.4522 59.5717 28.8765 178.4797 105 N 4.1398 8.1983 116.9138 56.3111 38.6530 176.9586 106 A 3.8768 7.7626 121.8076 55.1834 18.5044 179.2514 107 L 3.4592 8.1772 117.2222 58.1063 41.5232 179.3903 108 D 4.2674 8.2160 118.2090 57.6412 41.0581 179.0509 109 E 4.1054 7.9891 117.5005 59.5305 29.6683 179.0789 110 T 3.8583 7.6566 116.4833 66.6144 68.7837 176.4339 111 F 4.7556 8.1641 119.0414 60.1406 38.8264 176.8500 112 E 4.2322 8.5317 119.2314 58.1177 29.5771 178.2370 113 S 4.0639 8.5051 113.9364 61.3832 62.5717 176.2305 114 V 3.5938 7.8074 120.5195 65.8221 31.3205 177.4360 115 Q 3.9035 8.0088 118.9658 59.4339 28.9013 178.5240 116 R 3.9429 8.2198 118.8364 59.3308 30.1699 178.5741 117 A 3.9345 8.1255 120.4180 55.4157 18.2472 178.8538 118 M 3.7177 8.5013 116.0126 59.3640 32.0903 178.5255 119 E 3.8630 8.4860 117.9064 59.5102 29.6809 179.0033 120 N 4.5147 8.4404 116.9457 55.8204 38.3415 177.4274 121 E 3.9677 8.0130 119.7014 59.5426 29.6346 179.1283 122 L 3.9025 7.5565 118.7406 57.5083 41.4593 178.7748 123 A 4.2589 7.2736 117.2197 52.8124 19.2042 178.9436 124 S 4.2638 9.2407 112.9253 60.1347 63.7390 175.1916 125 K 4.3117 7.3350 121.1770 55.4653 32.8205 175.3779 126 S 4.8725 7.9385 114.5642 55.6865 67.3968 175.0285 127 L 3.9292 8.5156 123.1517 58.1172 41.5357 178.6406 128 K 3.8486 7.8659 118.4040 59.9036 32.1734 177.7459 129 D 4.5114 8.3812 117.9098 57.7375 40.7820 179.1098 130 V 4.1244 7.2195 111.3652 63.1591 32.2699 176.9494 131 M 4.3264 7.8051 118.4769 55.3760 31.3496 176.1923 132 N 4.3770 8.2435 120.2886 53.7253 39.7589 174.9033 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 S 8.19 4.49 0.00 4.07 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 7 R 8.38 3.69 0.00 1.95 2.00 0.00 3.28 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 8 L 8.23 3.96 0.00 1.84 1.72 0.95 1.31 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 9 A 8.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.41 3.56 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 11 A 8.35 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 12 I 8.08 3.66 1.96 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 1.85 0.84 0.87 0.00 0.00 13 H 8.33 4.05 0.00 3.32 3.37 0.00 5.63 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 14 I 7.69 3.70 2.07 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 1.54 1.07 0.92 0.00 0.00 15 L 8.03 4.02 0.00 1.83 1.72 0.93 0.78 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 16 S 8.38 4.12 0.00 3.97 3.94 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 17 L 7.96 4.14 0.00 1.72 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.96 3.74 2.02 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 0.96 0.00 0.00 19 S 7.81 4.10 0.00 4.07 3.95 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 20 M 7.66 4.09 0.00 1.96 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 21 D 7.92 4.33 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.73 4.65 0.00 1.94 1.88 0.00 0.00 0.00 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 2.23 0.00 23 K 8.21 3.77 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 24 T 7.54 4.23 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 25 S 8.43 4.77 0.00 4.08 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 26 S 8.48 4.17 0.00 3.89 3.95 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 27 E 8.16 3.93 0.00 2.23 2.21 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 2.36 2.47 0.00 28 I 7.52 4.44 1.87 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 0.39 0.91 0.00 0.00 29 I 7.63 3.80 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 1.46 1.12 0.92 0.00 0.00 30 A 8.25 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.29 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 32 S 8.80 4.12 0.00 3.84 3.95 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 33 V 8.69 3.68 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 0.74 0.00 0.00 1.00 0.00 0.00 34 N 8.22 4.17 0.00 2.83 2.78 0.00 0.00 6.92 7.42 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 35 T 7.19 4.70 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 1.21 0.00 0.00 36 N 8.59 4.42 0.00 2.78 2.68 0.00 0.00 6.65 7.71 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 37 P 0.00 4.58 0.00 2.30 2.27 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 38 V 7.52 3.72 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 0.76 0.00 0.00 0.97 0.00 0.00 39 V 7.74 3.52 2.29 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 1.03 0.00 0.00 0.93 0.00 0.00 40 V 7.55 3.63 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 0.96 0.00 0.00 41 R 7.74 3.92 0.00 1.84 1.96 0.00 3.21 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.01 0.00 42 R 8.41 3.91 0.00 1.92 2.20 0.00 3.20 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 43 M 8.78 4.02 0.00 2.02 2.27 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 2.63 2.99 0.00 44 I 8.18 3.75 2.05 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 1.32 0.91 0.00 0.00 45 S 8.19 4.19 0.00 3.86 3.90 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 46 L 8.00 4.04 0.00 1.86 1.89 0.90 0.39 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 47 L 8.12 4.05 0.00 1.67 1.73 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.96 4.46 0.00 1.98 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.50 7.81 49 K 8.36 3.66 0.00 1.98 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.46 7.81 50 A 8.25 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 51 D 8.71 4.46 0.00 2.64 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 52 I 8.42 4.15 2.03 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 1.23 0.86 0.92 0.00 0.00 53 L 7.82 5.15 0.00 1.55 1.52 0.92 0.65 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 54 T 8.97 4.84 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 1.27 0.00 0.00 55 S 8.46 4.89 0.00 3.86 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 56 R 7.93 4.53 0.00 1.81 1.73 0.00 3.26 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 57 A 7.24 3.77 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 58 G 10.48 3.90 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 0.00 0.00 0.00 59 V 7.04 4.27 2.23 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 0.76 0.00 0.00 0.98 0.00 0.00 60 P 0.00 4.33 0.00 2.21 2.05 0.00 3.97 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 2.08 1.97 0.00 61 G 8.74 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 62 A 8.05 4.43 1.26 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 0.00 0.00 63 S 8.47 4.68 0.00 3.86 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 64 L 8.46 4.42 0.00 1.55 1.84 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 65 K 9.03 4.28 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 66 K 7.69 4.70 0.00 1.84 1.74 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.39 7.81 67 D 8.36 4.49 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.60 0.00 2.21 2.12 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 69 A 9.01 4.20 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 70 D 8.78 4.84 0.00 2.69 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 71 I 7.47 4.55 1.88 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 0.93 0.92 0.00 0.00 72 S 8.31 4.95 0.00 4.06 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 73 L 8.37 4.00 0.00 1.88 1.76 0.91 0.48 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 74 L 8.61 3.94 0.00 1.69 1.69 0.97 0.73 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 75 E 7.97 3.96 0.00 2.04 2.26 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 2.34 2.34 0.00 76 V 7.76 3.74 2.30 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 0.97 0.00 0.00 0.98 0.00 0.00 77 Y 8.63 4.28 0.00 3.09 3.24 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 0.00 78 R 8.23 3.71 0.00 1.96 1.97 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 79 A 7.42 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.09 4.17 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 0.68 0.00 0.00 1.00 0.00 0.00 81 Q 7.50 3.74 0.00 1.33 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.95 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 82 K 7.96 4.33 0.00 1.74 0.81 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 *94 N 9.01 4.62 0.00 2.74 2.89 0.00 0.00 6.70 8.02 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 95 P 0.00 4.81 0.00 2.16 2.05 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 96 K 8.39 4.24 0.00 1.76 1.89 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 97 C 7.93 4.06 0.00 2.98 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 98 P 0.00 4.29 0.00 2.19 2.07 0.00 3.65 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 2.10 2.13 0.00 99 V 7.78 3.66 2.07 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 1.04 0.00 0.00 0.93 0.00 0.00 100 G 8.09 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 0.00 0.00 0.00 101 K 7.86 3.91 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 102 K 8.12 3.79 0.00 1.99 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.64 7.81 103 I 7.91 3.62 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.87 0.00 0.00 104 Q 8.26 3.85 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 105 N 8.20 4.14 0.00 2.93 2.82 0.00 0.00 6.99 7.60 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 0.00 106 A 7.76 3.88 1.31 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 0.00 0.00 107 L 8.18 3.46 0.00 1.59 1.03 0.72 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.22 4.27 0.00 2.71 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 0.00 109 E 7.99 4.11 0.00 2.25 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 2.25 2.64 0.00 110 T 7.66 3.86 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 1.29 0.00 0.00 111 F 8.16 4.76 0.00 3.20 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 0.00 112 E 8.53 4.23 0.00 2.19 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 2.30 2.34 0.00 113 S 8.51 4.06 0.00 3.90 4.06 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 0.00 0.00 0.00 114 V 7.81 3.59 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 0.88 0.00 0.00 0.98 0.00 0.00 115 Q 8.01 3.90 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 116 R 8.22 3.94 0.00 2.03 1.98 0.00 3.37 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 117 A 8.13 3.93 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 0.00 118 M 8.50 3.72 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 119 E 8.49 3.86 0.00 2.07 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 2.29 2.49 0.00 120 N 8.44 4.51 0.00 2.91 2.84 0.00 0.00 6.89 7.20 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 0.00 121 E 8.01 3.97 0.00 2.11 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 2.30 2.46 0.00 122 L 7.56 3.90 0.00 1.68 1.81 0.46 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.27 4.26 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 0.00 124 S 9.24 4.26 0.00 4.03 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 0.00 125 K 7.34 4.31 0.00 1.80 1.76 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.35 7.81 126 S 7.94 4.87 0.00 4.02 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 0.00 127 L 8.52 3.93 0.00 1.86 1.86 0.92 0.44 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 0.00 128 K 7.87 3.85 0.00 1.78 1.83 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 129 D 8.38 4.51 0.00 2.86 2.74 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 0.00 130 V 7.22 4.12 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 0.73 0.00 0.00 0.98 0.00 0.00 131 M 7.81 4.33 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 132 N 8.24 4.38 0.00 2.64 2.64 0.00 0.00 7.02 7.56 0.00 0.00 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.