NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4600 8.3049 120.3179 55.3573 33.4371 174.5133 2 M 4.6056 8.3323 121.2776 52.5670 35.3114 173.5968 3 K 4.4958 8.8774 123.2938 54.6492 36.3753 175.4258 4 K 4.2033 8.5531 125.8167 56.1392 32.7659 176.2141 5 I 4.5783 7.9452 123.6710 59.1472 40.3110 175.1099 6 D 4.6656 8.8210 127.2737 54.4486 41.8843 175.6562 7 V 4.9246 8.3389 121.8871 59.7435 34.7202 174.4945 8 K 4.5540 8.9020 125.2810 54.6513 34.3976 174.7926 9 I 4.4273 8.4353 128.7529 61.1867 37.1988 175.7241 10 L 4.4896 8.9827 127.3921 55.0388 43.1892 176.4680 11 D 4.8769 7.8850 118.6747 51.3448 43.4768 174.3038 12 P 4.4294 0.0000 0.0000 64.7825 31.6551 177.5104 13 R 4.1764 8.4554 118.3558 57.6775 30.2678 176.6874 14 V 4.1444 7.7509 118.9411 63.9156 31.7198 176.2673 15 G 4.1217 9.4372 116.3987 45.1468 0.0000 173.3061 16 K 4.3273 7.9766 114.6081 56.7862 33.2481 177.1552 17 E 3.9063 9.2137 127.3843 59.0985 30.5096 175.7689 18 F 5.3628 8.0091 118.5620 54.7594 40.1258 173.5210 19 P 4.6418 0.0000 0.0000 62.4647 31.8909 176.5030 20 L 4.1788 8.5823 122.6874 54.2674 42.3045 175.5248 21 P 4.4108 0.0000 0.0000 63.6098 31.8923 176.0030 22 T 4.6401 7.8129 116.7394 61.9594 72.5765 173.1771 23 Y 4.2270 8.3958 121.9417 57.4183 38.7919 175.7983 24 A 4.1867 8.9647 128.2999 54.8610 19.0530 177.0820 25 T 4.8305 7.9752 104.2789 59.4808 72.0443 174.9505 26 S 4.1673 8.7760 115.8719 60.4024 63.0369 175.1156 27 G 3.9698 7.4406 107.4824 45.1736 0.0000 173.9734 28 S 4.3308 7.6680 116.4696 58.2597 63.4600 174.4352 29 A 4.2441 8.8064 127.7049 54.0731 18.7907 177.4195 30 G 4.6050 8.0408 100.4654 44.2804 0.0000 172.2327 31 L 4.8029 8.5177 119.9504 53.5621 43.5497 175.4375 32 D 5.1105 8.5404 120.6626 54.0589 42.1141 175.5894 33 L 4.6956 8.8366 122.8667 53.3173 43.9803 175.7137 34 R 5.1061 8.3659 121.2585 54.1975 32.7238 175.7910 35 A 3.9052 8.4072 125.0036 52.2422 19.4713 176.3675 36 C 3.9372 8.6445 124.9396 57.6084 31.0271 172.6694 37 L 4.9345 7.5606 123.1278 52.5379 45.3795 176.8712 38 N 4.6772 8.8349 118.5632 55.8685 38.9910 175.1566 39 D 4.7663 7.6703 114.5770 52.0420 45.1323 174.5377 40 A 4.3566 8.4786 122.4409 52.7436 19.3637 177.0981 41 V 4.3145 8.6192 120.0209 60.9693 34.2939 174.0744 42 E 4.6982 8.8725 129.4010 55.3582 30.8792 174.9373 43 L 4.7409 9.1924 129.5650 53.0462 44.3353 175.6067 44 A 4.5617 8.5623 128.3422 50.7672 20.0471 174.7239 45 P 4.3706 0.0000 0.0000 64.3515 31.7271 177.4787 46 G 4.1725 8.9901 111.6610 45.5037 0.0000 173.2561 47 D 4.9503 8.0090 119.5955 53.9694 42.8726 175.4702 48 T 5.3682 8.3746 115.6372 62.3204 72.0049 173.5976 49 T 4.6840 8.9886 118.8435 60.2925 71.5398 172.2722 50 L 4.7093 8.5821 129.7411 54.3347 43.0804 175.6046 51 V 4.3302 9.0142 127.7162 60.6288 33.2908 173.5408 52 P 4.8726 0.0000 0.0000 62.9971 32.1787 176.9335 53 T 4.1970 8.3031 111.3316 60.8155 70.1749 175.8919 54 G 4.0111 9.2886 110.8464 45.6540 0.0000 172.5099 55 L 5.2510 7.7368 118.4585 54.0150 44.4858 174.5187 56 A 5.2959 8.8922 121.4277 50.1386 22.0316 175.3147 57 I 4.9323 8.5184 114.1584 59.4844 40.9592 175.0833 58 H 4.7983 8.9316 122.6285 54.3773 30.4724 172.9379 59 I 3.7244 8.6120 126.1808 62.7768 37.4480 177.5186 60 A 3.8930 8.2947 126.2850 52.5909 18.2955 177.5042 61 D 4.5522 7.6402 116.1425 52.8629 41.4010 174.9420 62 P 4.6151 0.0000 0.0000 64.1923 31.6233 176.9930 63 S 4.6213 8.5834 115.3615 59.0579 63.1377 172.9953 64 L 5.3379 7.9190 122.1251 53.2564 44.9960 174.9953 65 A 4.9865 9.0707 124.9615 50.4165 23.5850 174.3310 66 A 4.9207 8.5215 119.1826 50.3718 22.6430 175.3379 67 M 5.1384 8.7053 119.4174 53.7663 35.4615 174.9114 68 M 4.7916 9.0607 123.9446 54.5959 33.9131 175.4435 69 L 5.1420 8.9659 122.0338 52.0533 46.5980 174.3940 70 P 4.6535 0.0000 0.0000 62.7194 32.3930 176.5280 71 R 4.2877 8.4000 120.9204 55.6232 31.3532 178.1981 72 S 4.2338 8.7710 117.4420 61.4284 63.0346 177.0548 73 G 3.5725 7.9998 108.8856 47.5310 0.0000 175.3168 74 L 4.1012 8.0248 121.7489 57.3245 41.5100 179.8805 75 G 3.4309 8.0761 105.3561 48.0000 0.0000 175.3345 76 H 4.1153 8.3403 120.2888 58.8255 30.0613 177.0701 77 K 4.0497 8.0488 118.6963 58.3065 32.2626 177.9781 78 H 4.8381 7.8670 112.5510 54.0960 30.2375 174.2920 79 G 3.5986 7.5879 109.2925 46.3536 0.0000 173.0999 80 I 4.2917 7.4723 121.2862 59.8025 37.7782 175.1481 81 V 4.4173 8.2501 123.2328 60.1837 36.1143 173.8532 82 L 5.1301 8.5349 120.5132 53.7835 43.3954 178.5153 83 G 3.6195 9.3536 112.7039 47.5123 0.0000 174.0023 84 N 4.5673 8.0768 114.6516 52.0410 37.7786 174.9046 85 L 4.1681 8.0551 123.4338 55.1591 40.7308 174.5146 86 V 4.5494 7.4218 115.5443 61.0118 34.6877 174.0691 87 G 3.9954 8.9299 115.3355 44.8049 0.0000 171.9856 88 L 5.0429 8.4268 127.5455 53.4857 44.0298 175.2737 89 I 4.2805 8.6232 128.1570 59.6727 38.9849 175.2599 90 D 4.8876 8.6010 127.4187 53.8050 41.7347 177.9627 91 S 4.2086 8.9821 116.1495 60.9704 63.1750 175.2798 92 D 4.8904 7.9888 117.6994 52.9023 39.6799 175.3641 93 Y 4.3027 7.9419 122.5433 58.0384 38.9936 175.0208 94 Q 4.4824 8.0246 124.1601 55.3542 30.0074 175.6311 95 G 3.5080 5.5425 107.7899 43.9147 0.0000 173.2973 96 Q 4.2182 8.2857 120.3416 55.8562 29.2269 175.4876 97 L 4.4195 9.0783 126.0374 55.1496 42.5712 175.8957 98 M 4.9129 8.7419 123.0912 53.4965 35.3473 175.2045 99 I 4.3752 8.6515 122.9867 59.5440 39.9603 174.9105 100 S 4.6125 8.7296 123.0169 57.6207 63.1163 172.4743 101 V 4.7142 8.7650 128.9886 61.1317 33.1713 174.2179 102 W 5.2871 9.0855 135.0000 55.6208 33.6953 173.7640 103 N 4.8635 9.1103 126.9787 52.7053 38.4320 175.1190 104 R 3.3794 8.0848 123.2176 56.4827 30.1795 177.0180 105 G 4.0557 7.4432 109.7603 44.7273 0.0000 173.1477 106 Q 4.5239 8.5448 116.7130 55.6105 30.2979 174.9211 107 D 5.1026 7.6399 117.4041 51.9176 43.5183 176.1311 108 S 4.5446 8.7183 116.7262 58.9183 63.5835 173.0358 109 F 4.8465 8.8777 125.5711 56.9545 43.0959 173.2045 110 T 4.7649 7.5821 122.3008 62.1790 69.6370 174.2664 111 I 4.3676 8.8796 129.2564 60.8852 38.5601 175.1772 112 Q 4.7631 8.8859 126.5957 53.2676 31.0732 173.8586 113 P 4.0967 0.0000 0.0000 64.4663 31.7667 177.0608 114 G 3.8863 8.2592 111.6110 45.0550 0.0000 173.4006 115 E 4.0452 7.7144 121.9022 56.0495 30.8738 176.1271 116 R 4.3663 8.6834 125.7635 56.8273 29.8658 175.8060 117 I 4.4645 8.5056 124.1330 61.0081 40.1754 174.3598 118 A 4.7097 7.5300 121.8619 51.5487 22.9297 174.3012 119 Q 5.0363 9.0161 116.3137 55.1211 32.9568 173.9518 120 M 5.2828 8.8529 118.7025 53.9960 35.9238 173.6625 121 I 4.9450 8.6183 118.8053 59.1421 41.3753 174.0634 122 F 5.2409 8.9018 121.5493 55.9608 40.9919 175.4653 123 V 4.6438 8.7402 116.5848 58.5613 35.5540 173.5698 124 P 4.9344 0.0000 0.0000 63.1404 31.7893 176.1131 125 V 4.6107 8.5438 116.1446 59.5195 35.4963 175.2202 126 V 4.3130 8.3204 121.9487 61.0954 33.6499 174.8987 127 Q 4.2910 8.5680 125.8642 54.5493 29.4904 175.2913 128 A 4.2101 8.3008 126.3425 51.3236 19.5807 175.7580 129 E 4.3782 8.3461 122.1722 54.0010 31.3223 175.6930 130 F 4.7273 8.3730 125.4470 57.3322 39.7100 174.5366 131 N 4.8903 8.6930 123.2861 51.4203 39.7010 173.7531 132 L 4.2382 8.4488 126.4177 54.6932 42.3821 177.3054 133 V 4.5508 7.8928 115.3812 59.3954 35.5900 175.3606 134 E 4.0601 8.7168 122.8097 58.7505 29.8813 176.7848 135 D 4.5013 7.3555 115.3149 52.4614 44.9675 174.9458 136 F 4.7865 8.1623 123.0607 57.7450 39.7919 176.4561 *137 D 4.3100 8.6095 120.0793 54.8575 39.7277 177.1589 *146 F 3.9808 7.7727 119.7393 58.9256 39.4007 173.9677 *151 R 4.1823 8.1734 126.3036 56.2806 31.2212 175.9173 152 Q 4.0933 8.2430 116.3221 56.4702 29.7244 175.5258 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 4.46 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 M 8.33 4.61 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 3 K 8.88 4.50 0.00 1.55 1.46 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.35 7.81 4 K 8.55 4.20 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 I 7.95 4.58 1.73 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.40 0.93 0.00 0.00 6 D 8.82 4.67 0.00 2.64 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 7 V 8.34 4.92 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 0.73 0.00 0.00 1.03 0.00 0.00 8 K 8.90 4.55 0.00 1.83 1.68 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 9 I 8.44 4.43 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 1.01 0.00 0.00 10 L 8.98 4.49 0.00 1.56 1.73 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.88 4.88 0.00 2.68 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 12 P 0.00 4.43 0.00 2.19 2.15 0.00 3.82 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 1.96 1.98 0.00 13 R 8.46 4.18 0.00 1.73 1.19 0.00 2.58 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 14 V 7.75 4.14 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 0.80 0.00 0.00 1.17 0.00 0.00 15 G 9.44 4.12 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 0.00 0.00 0.00 16 K 7.98 4.33 0.00 1.76 1.47 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.32 7.81 17 E 9.21 3.91 0.00 1.46 1.59 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 2.18 2.26 0.00 18 F 8.01 5.36 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.64 0.00 1.97 2.03 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 20 L 8.58 4.18 0.00 1.55 1.63 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 2.00 2.11 0.00 3.66 0.00 0.00 3.68 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 22 T 7.81 4.64 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 1.25 0.00 0.00 23 Y 8.40 4.23 0.00 3.02 3.09 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 24 A 8.96 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 4.83 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 1.24 0.00 0.00 26 S 8.78 4.17 0.00 3.97 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 27 G 7.44 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 28 S 7.67 4.33 0.00 4.17 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 29 A 8.81 4.24 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.52 4.80 0.00 1.33 0.63 0.61 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.54 5.11 0.00 2.56 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 33 L 8.84 4.70 0.00 1.54 1.53 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.37 5.11 0.00 1.62 1.78 0.00 3.46 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 35 A 8.41 3.91 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 36 C 8.64 3.94 0.00 3.02 3.01 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 37 L 7.56 4.93 0.00 1.55 1.65 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.83 4.68 0.00 2.75 2.91 0.00 0.00 6.74 8.06 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 39 D 7.67 4.77 0.00 2.60 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 40 A 8.48 4.36 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 41 V 8.62 4.31 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 0.97 0.00 0.00 0.94 0.00 0.00 42 E 8.87 4.70 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 43 L 9.19 4.74 0.00 1.80 1.62 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.56 4.56 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 45 P 0.00 4.37 0.00 2.07 2.19 0.00 3.73 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 2.04 2.09 0.00 46 G 8.99 4.17 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 0.00 0.00 0.00 47 D 8.01 4.95 0.00 2.89 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 48 T 8.37 5.37 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 1.28 0.00 0.00 49 T 8.99 4.68 4.28 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 1.25 0.00 0.00 50 L 8.58 4.71 0.00 1.68 1.58 0.92 0.91 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 51 V 9.01 4.33 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 0.95 0.00 0.00 0.94 0.00 0.00 52 P 0.00 4.87 0.00 2.13 2.07 0.00 3.72 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 2.20 2.09 0.00 53 T 8.30 4.20 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 1.26 0.00 0.00 54 G 9.29 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 55 L 7.74 5.25 0.00 1.71 1.76 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.89 5.30 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 57 I 8.52 4.93 2.01 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 1.03 0.00 0.00 58 H 8.93 4.80 0.00 3.10 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.61 3.72 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 1.05 0.00 0.00 60 A 8.29 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.64 4.55 0.00 2.68 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 62 P 0.00 4.62 0.00 2.22 2.17 0.00 3.42 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 63 S 8.58 4.62 0.00 4.08 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 7.92 5.34 0.00 1.64 1.55 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 A 9.07 4.99 1.22 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 0.00 0.00 66 A 8.52 4.92 0.65 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 67 M 8.71 5.14 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 68 M 9.06 4.79 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 69 L 8.97 5.14 0.00 1.48 1.48 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.65 0.00 1.91 1.95 0.00 3.66 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 2.03 2.12 0.00 71 R 8.40 4.29 0.00 1.86 1.83 0.00 3.12 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 72 S 8.77 4.23 0.00 4.03 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 73 G 8.00 3.57 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 0.00 0.00 0.00 74 L 8.02 4.10 0.00 1.78 1.72 0.95 0.88 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 75 G 8.08 3.43 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 0.00 76 H 8.34 4.12 0.00 3.06 3.40 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.05 4.05 0.00 1.67 1.63 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 78 H 7.87 4.84 0.00 3.08 3.14 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.59 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.47 4.29 1.36 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.56 0.00 0.00 81 V 8.25 4.42 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 0.59 0.00 0.00 0.76 0.00 0.00 82 L 8.53 5.13 0.00 1.77 1.76 0.90 0.86 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 83 G 9.35 3.62 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 0.00 0.00 0.00 84 N 8.08 4.57 0.00 2.79 2.87 0.00 0.00 6.10 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 85 L 8.06 4.17 0.00 1.87 1.93 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.42 4.55 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 0.82 0.00 0.00 0.93 0.00 0.00 87 G 8.93 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 0.00 0.00 0.00 88 L 8.43 5.04 0.00 1.59 1.51 0.89 1.03 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 89 I 8.62 4.28 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 0.98 0.00 0.00 90 D 8.60 4.89 0.00 2.69 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 91 S 8.98 4.21 0.00 4.08 4.42 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 92 D 7.99 4.89 0.00 2.86 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 93 Y 7.94 4.30 0.00 2.95 3.11 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 94 Q 8.02 4.48 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 95 G 5.54 3.51 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 0.00 0.00 0.00 96 Q 8.29 4.22 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 97 L 9.08 4.42 0.00 1.69 1.63 0.98 0.84 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 98 M 8.74 4.91 0.00 1.88 1.95 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 2.53 2.74 0.00 99 I 8.65 4.38 1.87 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 1.10 0.96 0.90 0.00 0.00 100 S 8.73 4.61 0.00 3.90 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 0.00 101 V 8.77 4.71 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 0.99 0.00 0.00 0.99 0.00 0.00 102 W 9.09 5.29 0.00 3.32 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 0.00 103 N 9.11 4.86 0.00 2.78 2.81 0.00 0.00 6.54 7.26 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 0.00 104 R 8.08 3.38 0.00 0.91 0.66 0.00 2.80 0.00 0.00 2.87 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.16 0.00 105 G 7.44 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 0.00 0.00 0.00 106 Q 8.54 4.52 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 107 D 7.64 5.10 0.00 2.56 2.58 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 0.00 108 S 8.72 4.54 0.00 3.91 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 0.00 109 F 8.88 4.85 0.00 3.11 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 0.00 110 T 7.58 4.76 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 1.13 0.00 0.00 111 I 8.88 4.37 1.92 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 1.49 0.88 0.95 0.00 0.00 112 Q 8.89 4.76 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 113 P 0.00 4.10 0.00 2.20 2.38 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 114 G 8.26 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 0.00 115 E 7.71 4.05 0.00 2.14 1.90 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 2.34 2.32 0.00 116 R 8.68 4.37 0.00 1.74 2.01 0.00 3.42 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 117 I 8.51 4.46 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.89 0.00 0.00 118 A 7.53 4.71 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 0.00 119 Q 9.02 5.04 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 120 M 8.85 5.28 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.94 0.00 121 I 8.62 4.95 1.92 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 1.31 1.12 1.00 0.00 0.00 122 F 8.90 5.24 0.00 2.99 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 0.00 123 V 8.74 4.64 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 0.81 0.00 0.00 0.94 0.00 0.00 124 P 0.00 4.93 0.00 1.95 2.00 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 125 V 8.54 4.61 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 0.66 0.00 0.00 0.92 0.00 0.00 126 V 8.32 4.31 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 0.84 0.00 0.00 0.94 0.00 0.00 127 Q 8.57 4.29 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 128 A 8.30 4.21 1.12 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 0.00 0.00 129 E 8.35 4.38 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 130 F 8.37 4.73 0.00 3.10 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 0.00 131 N 8.69 4.89 0.00 2.69 2.80 0.00 0.00 7.13 7.78 0.00 0.00 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 L 8.45 4.24 0.00 1.68 1.59 0.99 0.92 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 0.00 133 V 7.89 4.55 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 0.83 0.00 0.00 0.91 0.00 0.00 134 E 8.72 4.06 0.00 1.86 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 2.25 2.32 0.00 135 D 7.36 4.50 0.00 2.57 2.43 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 0.00 136 F 8.16 4.79 0.00 3.08 2.86 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 *137 D 8.61 4.31 0.00 2.70 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 *146 F 7.77 3.98 0.00 3.03 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 *151 R 8.17 4.18 0.00 1.84 1.92 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 152 Q 8.24 4.09 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.