NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4722 8.3049 118.7931 53.8609 33.1047 175.0826 2 I 3.7107 8.3019 125.2236 59.8117 37.7924 173.4179 3 S 4.1718 8.8599 122.1873 60.4901 64.1619 176.7770 4 G 3.9231 7.9938 118.8231 45.0820 0.0000 171.7878 5 L 4.2669 8.4584 125.4188 54.5282 43.0577 176.7121 6 S 4.4935 8.3693 120.2682 59.5721 62.9551 173.2599 7 H 4.7857 7.0434 112.2331 55.0782 30.8450 172.1100 8 I 4.4209 8.1879 120.5303 59.9693 39.4640 174.7384 9 T 5.1096 8.4393 122.8344 61.7883 70.6748 173.6833 10 L 4.8380 9.0488 125.9301 52.9219 45.5082 175.3767 11 I 4.9886 8.4833 123.3665 59.8613 38.9362 175.4438 12 V 4.5830 8.7509 122.3104 60.1338 35.2269 177.5516 13 K 3.9264 10.0199 126.5020 57.1241 32.0381 176.5456 14 D 4.7675 7.7971 118.5667 52.4232 41.7952 175.7500 15 L 4.2944 8.1771 130.1722 56.1657 41.9187 178.6698 16 N 4.2071 7.9706 115.1102 56.3552 39.0051 177.0323 17 K 3.9993 8.6286 120.9522 59.8845 32.2455 178.9628 18 T 4.0694 7.8665 116.1466 67.2070 68.2930 176.1821 19 T 3.7696 8.2680 117.2152 66.6822 68.5139 175.8479 20 A 4.0466 8.2267 122.0826 55.5956 18.3942 179.0191 21 F 4.0558 8.2121 118.7143 61.8107 39.3719 177.3968 22 L 3.8877 8.4082 118.5303 57.9017 41.5284 179.6335 23 Q 4.2705 8.2050 116.8840 58.5166 28.2787 178.1092 24 N 4.2408 7.8698 118.5741 56.2967 38.8780 177.0532 25 I 3.7205 7.4752 119.7770 64.0459 37.6034 177.4449 26 F 4.1234 8.1542 114.9580 57.1446 39.2999 175.3456 27 N 4.8484 8.3520 116.0444 52.9285 35.9359 174.4312 28 A 4.4047 7.9733 119.5290 52.3087 19.5952 177.3337 29 E 4.6203 8.7897 122.3017 55.1178 30.9634 175.8838 30 E 4.1537 9.0717 125.8891 56.7918 30.1924 175.7636 31 I 4.2974 8.4382 128.4683 63.2549 38.9509 175.7259 *32 Y 4.4585 7.3434 121.4124 58.0379 41.3402 174.2777 33 S 5.5417 8.2898 117.2753 57.3582 66.1566 172.4014 *41 L 4.4026 8.4128 117.4547 55.8684 41.9172 175.5580 42 S 4.7041 8.9011 113.3278 57.8384 63.7789 173.4660 43 K 4.3447 8.5048 131.3098 55.3832 32.5693 173.2688 44 E 4.8803 8.3764 121.7826 54.6536 32.9878 174.2161 45 K 4.6954 9.0785 119.3939 54.8449 37.0093 175.4457 46 F 5.8407 8.3029 121.7764 56.2584 41.8815 174.8304 47 F 5.4795 9.8767 119.4916 56.1125 44.3151 173.5613 48 L 5.2146 9.4218 121.7267 53.4446 43.6605 175.7353 49 I 4.3838 8.8836 125.8386 59.1968 39.3014 175.8829 50 A 3.7661 8.8963 132.4593 55.0073 16.0095 177.4306 51 G 4.0410 7.9762 108.7066 45.7836 0.0000 172.9189 52 L 4.5706 7.8295 118.5824 52.7583 45.2373 174.6696 53 W 5.0461 9.0482 135.0000 57.9823 31.4164 174.0757 54 I 5.0725 9.3405 129.2634 59.5992 39.3038 174.4093 55 C 5.7028 9.4176 127.3447 57.7349 34.6009 172.3541 56 I 5.0780 9.2669 126.4802 59.8740 39.9007 174.2681 57 M 5.0281 8.8017 126.6272 53.0128 34.9819 175.0907 58 E 4.5383 8.7263 125.1804 55.3860 30.1770 176.3602 59 G 4.6519 8.6179 120.2642 46.0120 0.0000 172.8324 60 D 4.7432 8.5809 121.2982 53.9658 39.5977 177.8236 61 S 4.4555 7.3946 115.5086 58.7465 60.0362 173.3888 62 L 4.6293 7.6078 128.1040 53.9922 40.2972 176.8605 63 Q 4.1934 7.7419 121.2004 55.1573 29.2599 177.0375 64 E 4.2706 8.2950 116.1952 57.1155 30.1257 177.3321 65 R 4.1533 8.2153 119.7482 56.5642 30.5478 176.3478 66 T 4.7380 8.1102 111.0173 60.4672 72.0121 172.6755 67 Y 4.6567 8.4744 120.2285 57.9627 39.1093 174.7607 68 N 4.2467 8.0511 117.0649 54.9132 38.7374 173.4705 69 H 4.6730 8.0145 117.1869 54.6207 31.8574 172.6270 70 I 4.2840 7.7772 118.6972 59.6469 39.0457 174.5698 71 A 5.2539 8.3529 128.3283 50.2819 21.0186 175.6489 72 F 4.7208 9.5853 121.4027 55.8395 42.0040 174.8148 73 Q 4.8908 8.7360 123.4478 55.5499 29.3920 174.6093 74 I 4.7000 8.8215 121.3186 59.0932 41.3785 173.8989 75 Q 4.6255 7.9044 121.6587 54.7521 31.6975 177.2604 76 S 4.0057 8.2969 120.3580 61.8805 63.5680 176.9259 77 E 4.0453 8.2735 119.5801 59.3216 29.7007 179.2821 78 E 3.9419 8.4822 118.6415 58.9418 29.2407 179.2135 79 V 3.6036 7.5077 118.2725 66.4656 31.5089 177.8772 80 D 4.3336 8.0330 117.6438 57.4082 40.7348 178.4787 81 E 3.9055 7.6005 116.7075 59.6783 29.4250 179.1032 82 Y 3.8308 8.6733 117.0795 60.9065 37.8652 178.3650 83 T 3.7623 8.1869 117.1514 66.5726 68.5489 175.7611 84 E 3.8643 8.0911 120.9953 59.5620 29.3527 179.0298 85 R 3.7750 7.4822 116.1447 59.3594 30.5260 178.8487 86 I 3.5986 7.4770 119.2698 64.2338 36.9905 178.4785 87 K 3.9210 8.0185 119.0349 59.5004 31.7328 178.4371 88 A 4.3196 7.8210 117.1735 52.6967 18.3276 178.1313 89 L 4.6405 7.8037 117.4610 53.3629 42.3167 177.0433 90 G 4.2289 8.1252 106.9965 46.4214 0.0000 174.4914 91 V 4.1701 7.1426 111.9730 60.1215 32.5678 175.8833 92 E 4.2716 8.9614 123.7951 56.8899 30.6067 175.2133 93 M 5.3625 8.6748 126.3066 53.6844 34.9333 174.8687 94 K 4.4066 9.0587 126.1385 55.6102 33.0390 175.6428 95 P 4.3728 0.0000 0.0000 62.6585 31.9476 175.7122 96 E 4.2940 8.6334 122.6573 55.5535 30.3384 175.6383 97 R 4.5083 8.4648 126.3774 54.1562 31.4656 173.8940 98 P 4.5178 0.0000 0.0000 62.5056 33.1367 173.9866 99 R 4.0592 8.9386 122.6380 57.2087 28.7972 177.0513 100 V 4.2694 8.6457 122.4344 65.6776 33.6663 175.7797 101 Q 3.1053 8.6297 111.5166 54.3097 24.5873 175.3946 102 G 3.3950 7.2989 112.3851 45.8250 0.0000 172.9767 103 E 4.4967 7.6935 114.2893 54.0646 31.8493 181.3181 104 G 4.1094 7.9580 106.6378 46.0042 0.0000 172.6703 105 R 4.7877 7.9278 116.2425 54.8648 33.2737 175.7440 106 S 5.1268 8.2679 114.6082 57.2937 67.9494 173.1828 107 I 4.6159 8.6349 122.6116 59.7481 41.0511 173.9972 108 Y 5.4902 8.5334 123.4538 56.4185 41.0172 174.5694 109 F 5.4032 8.6828 116.6111 56.5448 41.6469 172.5481 110 Y 5.3088 9.1091 118.4532 56.6416 39.8933 176.0219 111 D 3.9730 8.8490 121.6962 52.2121 41.4496 176.7863 112 F 4.6958 7.4550 116.1333 59.3497 39.4795 175.1506 113 D 4.8539 7.5232 118.7764 54.4175 41.0624 175.1467 114 N 4.1193 8.2009 110.7589 54.2866 37.2733 174.2291 115 H 4.5292 8.1726 116.5728 55.1708 30.0620 174.1101 116 L 4.0642 8.2740 126.0293 53.8741 43.6641 175.0964 117 F 5.1389 8.6460 124.6214 55.5194 42.8038 173.6504 118 E 5.0712 9.6169 123.2547 54.3761 32.8721 174.4729 119 L 5.0988 8.9903 127.0260 53.6154 43.6689 174.9098 120 H 5.4181 9.5543 124.3804 53.4821 32.9779 173.3278 121 A 5.0089 8.4695 124.6403 51.4199 21.6413 173.6566 122 G 3.3705 9.2997 108.7843 44.5822 0.0000 172.9399 123 T 3.9449 8.4095 118.3023 61.6650 70.0432 173.9820 124 L 3.9380 8.7819 127.3487 59.3639 42.0247 179.3645 125 E 4.1219 8.2785 116.5392 61.6490 29.4354 180.6838 126 E 4.3694 8.0032 117.3018 58.5474 29.7441 178.3290 127 R 4.1059 8.1920 118.4670 57.6660 30.1250 176.0932 128 L 4.3375 7.4426 122.4432 55.5624 42.0444 176.0232 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 1 M 8.30 4.47 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 I 8.30 3.71 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.90 0.00 0.00 3 S 8.86 4.17 0.00 3.87 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 4 G 7.99 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 0.00 0.00 0.00 5 L 8.46 4.27 0.00 1.59 1.58 0.87 0.80 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 6 S 8.37 4.49 0.00 3.86 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 7 H 7.04 4.79 0.00 2.55 2.19 0.00 5.55 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.19 4.42 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.87 0.00 0.00 9 T 8.44 5.11 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 10 L 9.05 4.84 0.00 1.54 1.44 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.48 4.99 2.07 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 1.37 0.85 1.03 0.00 0.00 12 V 8.75 4.58 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 0.81 0.00 0.00 1.04 0.00 0.00 13 K 10.02 3.93 0.00 1.73 1.71 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 14 D 7.80 4.77 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 15 L 8.18 4.29 0.00 2.00 1.54 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.97 4.21 0.00 2.81 2.91 0.00 0.00 6.50 6.98 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 17 K 8.63 4.00 0.00 2.10 1.81 0.00 1.32 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.18 1.32 7.81 18 T 7.87 4.07 4.59 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 1.21 0.00 0.00 19 T 8.27 3.77 4.58 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 1.48 0.00 0.00 20 A 8.23 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.21 4.06 0.00 3.30 3.28 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 22 L 8.41 3.89 0.00 1.51 1.27 0.42 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.21 4.27 0.00 2.32 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 24 N 7.87 4.24 0.00 2.95 2.81 0.00 0.00 7.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.48 3.72 1.43 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.03 0.08 0.00 0.00 26 F 8.15 4.12 0.00 2.87 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 N 8.35 4.85 0.00 2.87 2.89 0.00 0.00 7.25 7.35 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 28 A 7.97 4.40 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 0.00 0.00 29 E 8.79 4.62 0.00 2.11 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 2.33 2.35 0.00 30 E 9.07 4.15 0.00 2.06 1.82 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 1.95 1.54 0.00 31 I 8.44 4.30 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 0.91 0.00 0.00 *32 Y 7.34 4.46 0.00 1.94 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 0.00 0.00 0.00 33 S 8.29 5.54 0.00 3.35 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 *41 L 8.41 4.40 0.00 1.68 0.66 0.92 0.71 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 42 S 8.90 4.70 0.00 3.80 3.76 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 43 K 8.50 4.34 0.00 1.49 1.70 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.01 7.81 44 E 8.38 4.88 0.00 2.07 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 2.04 1.82 0.00 45 K 9.08 4.70 0.00 1.72 1.25 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.35 7.81 46 F 8.30 5.84 0.00 3.01 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 47 F 9.88 5.48 0.00 3.08 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 48 L 9.42 5.21 0.00 1.63 1.68 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.88 4.38 2.08 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.92 0.00 0.00 50 A 8.90 3.77 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 0.00 0.00 0.00 52 L 7.83 4.57 0.00 2.25 1.64 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 53 W 9.05 5.05 0.00 3.42 3.28 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 54 I 9.34 5.07 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 1.05 0.00 0.00 55 C 9.42 5.70 0.00 3.20 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 56 I 9.27 5.08 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.08 1.02 0.00 0.00 57 M 8.80 5.03 0.00 1.95 1.95 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 2.54 2.45 0.00 58 E 8.73 4.54 0.00 1.95 1.86 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 2.34 2.48 0.00 59 G 8.62 4.65 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 60 D 8.58 4.74 0.00 2.80 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 61 S 7.39 4.46 0.00 3.89 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 62 L 7.61 4.63 0.00 1.67 1.55 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.74 4.19 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 64 E 8.30 4.27 0.00 1.94 1.91 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 2.30 2.26 0.00 65 R 8.22 4.15 0.00 1.74 1.91 0.00 2.89 0.00 0.00 2.70 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 66 T 8.11 4.74 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 1.23 0.00 0.00 67 Y 8.47 4.66 0.00 2.79 3.02 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 68 N 8.05 4.25 0.00 2.73 2.72 0.00 0.00 6.77 8.16 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 69 H 8.01 4.67 0.00 3.11 3.01 0.00 5.50 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.78 4.28 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.38 0.49 0.00 0.00 71 A 8.35 5.25 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 72 F 9.59 4.72 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.74 4.89 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 74 I 8.82 4.70 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.47 0.00 0.00 75 Q 7.90 4.63 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 76 S 8.30 4.01 0.00 3.93 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 77 E 8.27 4.05 0.00 2.07 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 2.39 2.39 0.00 78 E 8.48 3.94 0.00 2.31 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 0.00 2.38 2.36 0.00 79 V 7.51 3.60 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 1.11 0.00 0.00 0.98 0.00 0.00 80 D 8.03 4.33 0.00 2.71 2.68 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 81 E 7.60 3.91 0.00 2.12 1.80 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 2.24 2.29 0.00 82 Y 8.67 3.83 0.00 3.10 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 83 T 8.19 3.76 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 1.20 0.00 0.00 84 E 8.09 3.86 0.00 2.12 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 0.00 2.24 2.35 0.00 85 R 7.48 3.78 0.00 1.76 1.76 0.00 2.68 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 86 I 7.48 3.60 1.74 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.73 0.61 0.00 0.00 87 K 8.02 3.92 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 88 A 7.82 4.32 1.29 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 0.00 0.00 89 L 7.80 4.64 0.00 1.87 1.77 0.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.13 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 91 V 7.14 4.17 2.42 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 0.92 0.00 0.00 1.32 0.00 0.00 92 E 8.96 4.27 0.00 2.23 2.15 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 2.92 2.56 0.00 93 M 8.67 5.36 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 94 K 9.06 4.41 0.00 1.91 1.86 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.62 7.81 95 P 0.00 4.37 0.00 2.09 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 96 E 8.63 4.29 0.00 1.97 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 2.33 2.43 0.00 97 R 8.46 4.51 0.00 1.86 1.91 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 98 P 0.00 4.52 0.00 2.10 1.99 0.00 3.75 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 2.04 2.12 0.00 99 R 8.94 4.06 0.00 1.95 1.77 0.00 3.28 0.00 0.00 3.27 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 100 V 8.65 4.27 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 0.81 0.00 0.00 0.96 0.00 0.00 101 Q 8.63 3.11 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 102 G 7.30 3.39 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 0.00 103 E 7.69 4.50 0.00 1.95 1.79 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 2.11 1.83 0.00 104 G 7.96 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 0.00 0.00 0.00 105 R 7.93 4.79 0.00 1.73 2.04 0.00 3.10 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 106 S 8.27 5.13 0.00 3.73 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 0.00 107 I 8.63 4.62 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.95 0.00 0.00 108 Y 8.53 5.49 0.00 3.00 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 0.00 109 F 8.68 5.40 0.00 3.55 3.18 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 0.00 110 Y 9.11 5.31 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 3.97 0.00 1.58 2.67 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 0.00 112 F 7.46 4.70 0.00 3.06 3.04 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 0.00 113 D 7.52 4.85 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.12 0.00 2.76 2.84 0.00 0.00 7.24 8.16 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 0.00 115 H 8.17 4.53 0.00 3.54 2.72 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.27 4.06 0.00 1.63 1.36 0.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.65 5.14 0.00 2.11 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 0.00 118 E 9.62 5.07 0.00 2.05 1.84 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 2.12 1.52 0.00 119 L 8.99 5.10 0.00 1.46 1.35 0.16 0.49 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 0.00 120 H 9.55 5.42 0.00 3.51 3.13 0.00 5.76 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 0.00 121 A 8.47 5.01 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 0.00 122 G 9.30 3.37 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 0.00 123 T 8.41 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 1.31 0.00 0.00 124 L 8.78 3.94 0.00 1.63 1.78 0.91 0.87 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 0.00 125 E 8.28 4.12 0.00 2.10 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 2.24 1.97 0.00 126 E 8.00 4.37 0.00 2.23 2.24 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 2.30 2.64 0.00 127 R 8.19 4.11 0.00 1.94 2.00 0.00 3.40 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 128 L 7.44 4.34 0.00 1.65 1.52 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.