NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2024 8.2493 123.5708 51.0201 19.5449 176.4403 5 P 4.3418 0.0000 0.0000 61.1811 32.1557 172.4190 6 E 4.7266 9.4239 121.3138 54.4979 33.3287 175.4407 7 L 5.0986 8.5391 121.8476 53.2500 44.0384 175.9297 8 R 4.7281 8.7916 122.9057 54.3478 32.1724 175.4279 9 I 4.8418 8.4984 118.2618 60.5905 39.1745 175.1563 10 F 4.9708 9.6303 126.4987 56.2672 43.0237 173.1853 11 P 3.3621 0.0000 0.0000 61.5727 33.4092 175.0989 12 K 4.1436 8.2775 117.7832 59.2928 32.4609 177.3362 13 K 4.6183 7.3377 114.8873 56.1760 35.8610 175.6382 14 M 4.3307 8.7914 120.8627 54.6098 35.0862 173.6999 15 D 5.2202 8.6957 127.5194 53.3894 40.7484 175.0869 16 A 4.3620 8.1441 125.7441 50.2361 20.4646 176.5479 17 E 4.3929 8.5550 122.0439 55.7693 31.1353 176.7450 18 L 4.2564 8.4413 123.0546 56.5121 41.9607 177.6707 19 G 4.0086 8.8432 113.4063 44.9493 0.0000 173.4940 20 Q 4.1466 7.8021 121.3190 56.0902 30.4753 174.6634 21 K 5.0044 8.4779 125.6440 55.0452 33.7772 175.4011 22 V 4.3121 8.3995 127.7272 61.2086 33.7453 173.8501 23 D 5.1394 8.6645 127.8244 53.2155 42.2243 175.7615 24 L 5.1116 9.5706 123.6898 52.8228 45.1010 175.9152 25 V 5.3037 9.2212 122.0519 60.2804 35.4264 173.8352 26 C 5.4768 9.4295 122.3959 55.1537 47.9724 172.0764 27 E 5.0545 9.3879 128.9999 55.3386 30.8077 174.9400 28 V 4.3951 8.8353 128.2900 61.7144 32.4303 175.1342 29 L 4.3812 8.4075 129.0151 54.0739 44.2012 177.8290 30 G 3.8846 8.8650 112.8914 44.7022 0.0000 174.9748 31 S 6.0081 8.4297 126.3450 59.2627 64.6063 179.1906 32 V 3.6949 7.8300 121.7391 66.1404 31.7315 175.7665 33 S 5.0065 7.4083 112.7421 56.5999 66.2643 174.5966 34 Q 4.5508 8.3517 126.3442 56.2387 28.0947 176.0677 35 G 3.9906 8.9111 113.9467 45.9660 0.0000 171.1442 36 C 4.4549 7.1726 118.2666 57.4924 35.2027 174.1333 37 S 5.2297 8.7983 122.1567 56.8344 64.9499 173.0206 38 W 4.9270 9.1114 124.8870 55.2811 31.0006 175.4292 39 L 5.1228 9.1715 123.5045 52.8979 45.6357 175.2772 40 F 5.0410 9.2659 122.7253 56.5838 43.5078 173.3098 41 Q 4.3444 8.8091 126.9112 53.5868 30.9385 173.6626 42 N 4.0700 7.6720 124.9356 54.2111 39.1379 175.4489 43 S 4.5257 9.0609 121.5431 60.7920 63.3226 176.4826 44 S 4.1730 8.4505 115.7333 59.9736 61.6431 174.0743 45 S 4.6730 7.7848 115.8106 55.9845 63.5108 175.1569 46 K 4.0882 8.7996 125.7920 58.1733 32.0823 177.0775 47 L 4.6895 6.9997 118.9893 51.7783 43.4285 175.4319 48 P 4.4045 0.0000 0.0000 63.1912 28.6650 173.8838 49 Q 4.3137 7.7868 125.0579 54.1391 28.6589 172.7107 50 P 4.6986 0.0000 0.0000 63.0072 32.1073 175.7371 51 T 4.7653 9.1757 114.9358 59.6469 71.3755 173.7702 52 F 4.5650 8.9550 126.2347 58.7680 39.7573 173.4683 53 V 4.2657 7.4559 121.6792 63.4454 33.5820 175.2746 54 V 4.4024 6.2054 117.4262 60.4759 34.6557 171.0049 55 Y 5.0775 8.7412 122.8631 56.2006 41.8745 173.8238 56 M 4.7959 8.0751 125.9686 53.2138 34.3913 175.5949 57 A 4.4089 8.3967 125.8559 51.9991 18.9058 177.9972 58 S 4.3801 9.1669 115.6688 60.8421 62.9713 175.5470 59 S 3.9632 7.5441 114.9054 58.7658 62.9611 173.6629 60 H 4.8285 7.7648 118.6324 52.6893 31.4759 174.5908 61 N 4.3487 8.5867 118.6660 54.1990 38.1476 175.5831 62 K 4.4279 8.2849 123.4794 55.9838 34.1198 174.3910 63 I 4.9195 8.3495 120.9004 59.9721 40.3023 175.2677 64 T 4.7560 8.7882 118.4504 61.9139 72.2212 173.0963 65 W 5.4913 9.0496 126.6993 54.5135 31.1429 176.0604 66 D 4.7151 8.6667 124.3460 53.2893 39.6877 176.1921 67 E 4.1226 9.1848 123.1379 59.8571 30.0700 177.4890 68 K 3.8643 7.9051 118.1814 57.0012 31.7405 177.4081 *73 K 4.2457 8.1654 120.1735 56.3573 34.4059 178.4038 74 L 3.9138 7.6321 118.4034 58.3992 40.8119 176.9088 75 F 5.5003 6.8611 114.6552 56.1077 41.7382 175.2781 76 S 5.0489 9.0146 112.0766 57.8597 66.0302 173.3297 77 A 5.3265 8.8663 126.4543 51.0111 22.1369 175.1158 78 M 4.7587 8.8857 116.9040 54.0391 35.4354 174.3823 79 R 4.3564 8.4608 121.2923 54.6610 29.6707 175.3096 80 D 4.6269 8.2082 125.5276 53.8929 42.1223 178.9804 81 T 3.6112 8.0748 103.4689 63.2975 68.4305 176.1021 82 N 4.6189 9.2781 121.1956 54.3771 40.2833 172.6703 83 N 4.5298 8.8037 123.2184 52.4664 36.7144 173.8750 84 K 4.7249 7.6226 117.7854 55.1512 33.5661 174.9706 85 Y 4.6141 8.8604 124.6743 56.4615 39.8130 175.1778 86 V 4.6301 8.8932 125.7813 61.4752 33.2949 174.2074 87 L 4.9101 9.2910 130.9304 53.1655 44.7210 174.8461 88 T 4.8557 9.0555 116.4175 59.8392 71.8301 172.7849 89 L 4.8792 8.9752 126.2816 54.1834 42.6691 177.3990 90 N 4.3666 9.5912 123.0854 55.7219 39.1480 175.9372 91 K 4.8219 7.6145 116.2485 54.2675 35.4808 176.0667 92 F 4.4947 9.0804 128.4472 58.4342 41.0497 174.3037 93 S 4.4431 7.1387 118.4762 57.0654 65.9114 175.0723 94 K 3.8904 8.5438 118.0624 59.8195 32.4131 179.1144 95 E 3.9807 7.7125 118.9914 59.3186 29.2891 177.5504 96 N 4.5335 7.1598 111.6958 52.2945 37.8074 174.3737 97 E 4.5600 7.9676 120.7431 55.8866 30.6584 175.9577 98 G 4.2981 7.7573 114.8551 46.4062 0.0000 169.6369 99 Y 5.5359 8.1157 119.2346 56.6448 40.7893 174.9610 100 Y 5.5504 9.1600 121.6901 56.6592 41.8738 174.6482 101 F 5.4715 8.7557 113.8869 56.6196 41.6969 170.8211 102 C 4.7710 8.6640 115.9802 54.4840 42.6054 172.2133 103 S 5.0992 8.9425 113.5017 57.1173 66.1003 172.7080 104 V 4.7795 8.4326 123.3353 61.4133 35.6254 173.9212 105 I 5.1071 8.3079 117.2438 59.5219 39.6344 174.4219 106 S 4.7215 9.0169 123.8348 57.9868 65.4771 174.5652 107 N 4.2054 9.5784 121.5660 55.3489 35.9341 173.9071 108 S 3.7349 8.0552 104.1734 59.2826 62.6542 171.8481 109 V 4.3219 7.9890 119.6487 62.2649 33.9659 174.2796 110 M 4.6465 8.3386 127.2008 55.1254 33.0632 175.2058 111 Y 4.6410 8.9074 119.8319 56.0870 42.1253 174.5342 112 F 5.5895 8.7151 120.3500 55.7550 42.5684 175.4274 113 S 4.6521 8.6994 117.6658 57.5445 64.8644 173.4831 114 S 4.4356 8.6506 116.4021 58.6246 63.3713 173.3633 115 V 4.7690 8.1071 121.0489 61.6207 33.0958 175.1194 116 V 4.3989 9.3514 128.1213 60.5643 33.5294 172.9881 117 P 4.4805 0.0000 0.0000 62.6813 32.4626 176.0622 118 V 4.7012 9.1394 127.4331 61.1960 32.6541 174.1191 119 L 5.2284 8.5238 127.3776 52.2198 45.9306 176.0664 120 Q 4.2810 9.2840 124.2663 59.2904 29.5798 179.5990 121 K 3.6018 10.2577 125.1358 59.0235 34.6759 174.3518 122 V 3.7048 7.6760 125.3258 62.9997 33.0132 170.4966 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 4 A 8.25 4.20 1.25 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 0.00 0.00 5 P 0.00 4.34 0.00 1.78 1.82 0.00 3.25 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.53 0.00 6 E 9.42 4.73 0.00 1.98 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 2.22 2.24 0.00 7 L 8.54 5.10 0.00 1.53 1.56 0.98 0.79 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 8 R 8.79 4.73 0.00 1.76 1.92 0.00 3.34 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 9 I 8.50 4.84 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 1.25 0.00 0.00 10 F 9.63 4.97 0.00 3.13 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 11 P 0.00 3.36 0.00 1.79 1.12 0.00 3.69 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 12 K 8.28 4.14 0.00 1.69 1.83 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 13 K 7.34 4.62 0.00 1.75 1.71 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.39 7.81 14 M 8.79 4.33 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 15 D 8.70 5.22 0.00 2.53 2.56 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 0.00 0.00 0.00 0.00 16 A 8.14 4.36 -0.08 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 0.00 0.00 17 E 8.56 4.39 0.00 1.83 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 2.27 2.41 0.00 18 L 8.44 4.26 0.00 1.68 1.67 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.84 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 0.00 0.00 0.00 20 Q 7.80 4.15 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 21 K 8.48 5.00 0.00 1.87 1.68 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.63 7.81 22 V 8.40 4.31 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 0.60 0.00 0.00 0.76 0.00 0.00 23 D 8.66 5.14 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.57 5.11 0.00 1.00 1.44 0.24 0.47 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 25 V 9.22 5.30 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 1.07 0.00 0.00 1.05 0.00 0.00 26 C 9.43 5.48 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 27 E 9.39 5.05 0.00 2.10 1.83 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 2.27 2.26 0.00 28 V 8.84 4.40 2.19 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 0.76 0.00 0.00 0.75 0.00 0.00 29 L 8.41 4.38 0.00 1.80 1.58 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.87 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.43 6.01 0.00 4.06 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 32 V 7.83 3.69 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 0.81 0.00 0.00 0.82 0.00 0.00 33 S 7.41 5.01 0.00 4.10 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 34 Q 8.35 4.55 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 35 G 8.91 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 36 C 7.17 4.45 0.00 1.76 1.18 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 0.00 0.00 0.00 0.00 37 S 8.80 5.23 0.00 3.84 4.04 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 38 W 9.11 4.93 0.00 2.96 2.80 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 39 L 9.17 5.12 0.00 0.35 1.09 1.21 0.96 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 40 F 9.27 5.04 0.00 2.42 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 41 Q 8.81 4.34 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 42 N 7.67 4.07 0.00 2.62 2.60 0.00 0.00 7.12 7.16 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 43 S 9.06 4.53 0.00 4.14 3.96 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 0.00 0.00 0.00 44 S 8.45 4.17 0.00 3.94 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 45 S 7.78 4.67 0.00 4.12 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 46 K 8.80 4.09 0.00 1.74 1.92 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.54 7.81 47 L 7.00 4.69 0.00 1.72 1.54 0.91 0.98 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 48 P 0.00 4.40 0.00 2.07 1.98 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 49 Q 7.79 4.31 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 50 P 0.00 4.70 0.00 2.26 2.30 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 51 T 9.18 4.77 4.37 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 1.26 0.00 0.00 52 F 8.95 4.57 0.00 3.07 3.03 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 53 V 7.46 4.27 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 0.50 0.00 0.00 0.74 0.00 0.00 54 V 6.21 4.40 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 0.18 0.00 0.00 -0.20 0.00 0.00 55 Y 8.74 5.08 0.00 3.33 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 56 M 8.08 4.80 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 57 A 8.40 4.41 1.44 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 0.00 0.00 58 S 9.17 4.38 0.00 4.07 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 0.00 59 S 7.54 3.96 0.00 3.83 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 60 H 7.76 4.83 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.59 4.35 0.00 2.75 2.84 0.00 0.00 6.70 7.61 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 62 K 8.28 4.43 0.00 1.83 1.74 0.00 1.82 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 63 I 8.35 4.92 1.65 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.94 0.00 0.00 64 T 8.79 4.76 4.43 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 1.32 0.00 0.00 65 W 9.05 5.49 0.00 3.23 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 66 D 8.67 4.72 0.00 2.86 3.16 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 67 E 9.18 4.12 0.00 2.03 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 0.00 2.34 2.39 0.00 68 K 7.91 3.86 0.00 2.04 1.92 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.61 7.81 *73 K 8.17 4.25 0.00 1.66 1.78 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.28 7.81 74 L 7.63 3.91 0.00 0.95 1.55 0.23 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 F 6.86 5.50 0.00 3.03 3.29 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 0.00 76 S 9.01 5.05 0.00 4.16 3.73 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 77 A 8.87 5.33 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.89 4.76 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 79 R 8.46 4.36 0.00 1.72 1.89 0.00 2.89 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.00 80 D 8.21 4.63 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.07 3.61 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 1.17 0.00 0.00 82 N 9.28 4.62 0.00 2.60 2.68 0.00 0.00 7.20 7.79 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 83 N 8.80 4.53 0.00 2.82 3.42 0.00 0.00 6.99 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.62 4.72 0.00 1.63 1.73 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.44 7.81 85 Y 8.86 4.61 0.00 3.04 2.98 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 86 V 8.89 4.63 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 0.94 0.00 0.00 1.04 0.00 0.00 87 L 9.29 4.91 0.00 0.27 0.13 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.06 4.86 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 1.24 0.00 0.00 89 L 8.98 4.88 0.00 1.59 1.60 1.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.59 4.37 0.00 2.54 2.82 0.00 0.00 6.84 7.15 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 91 K 7.61 4.82 0.00 1.50 1.63 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.35 7.81 92 F 9.08 4.49 0.00 3.20 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 93 S 7.14 4.44 0.00 3.71 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 94 K 8.54 3.89 0.00 1.87 2.07 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 95 E 7.71 3.98 0.00 1.82 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 2.30 2.17 0.00 96 N 7.16 4.53 0.00 3.02 2.65 0.00 0.00 7.06 7.54 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 97 E 7.97 4.56 0.00 2.14 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 2.87 2.62 0.00 98 G 7.76 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 99 Y 8.12 5.54 0.00 3.07 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 0.00 100 Y 9.16 5.55 0.00 3.04 3.03 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 0.00 101 F 8.76 5.47 0.00 3.28 3.42 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 0.00 102 C 8.66 4.77 0.00 2.20 1.24 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 0.00 103 S 8.94 5.10 0.00 3.96 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.78 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 0.85 0.00 0.00 0.77 0.00 0.00 105 I 8.31 5.11 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.86 0.00 0.00 106 S 9.02 4.72 0.00 4.03 3.79 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 0.00 107 N 9.58 4.21 0.00 2.86 2.86 0.00 0.00 7.17 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 0.00 108 S 8.06 3.73 0.00 4.07 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 0.00 109 V 7.99 4.32 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 0.45 0.00 0.00 1.00 0.00 0.00 110 M 8.34 4.65 0.00 1.46 1.81 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 111 Y 8.91 4.64 0.00 2.67 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 0.00 112 F 8.72 5.59 0.00 2.90 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 0.00 113 S 8.70 4.65 0.00 4.02 3.96 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 0.00 0.00 0.00 114 S 8.65 4.44 0.00 3.98 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 0.00 115 V 8.11 4.77 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 0.71 0.00 0.00 116 V 9.35 4.40 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 1.07 0.00 0.00 1.17 0.00 0.00 117 P 0.00 4.48 0.00 2.11 1.93 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 118 V 9.14 4.70 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 0.77 0.00 0.00 0.79 0.00 0.00 119 L 8.52 5.23 0.00 1.58 1.51 0.88 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 9.28 4.28 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.97 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 121 K 10.26 3.60 0.00 1.81 2.22 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.50 7.81 122 V 7.68 3.70 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.