NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.4133 8.3049 120.3479 55.2660 33.2703 174.5080 17 E 4.4905 8.7615 125.2004 53.9943 32.3783 173.6001 18 L 4.7926 8.6859 123.7384 52.7212 45.4710 175.4920 19 R 4.5917 8.2877 121.3661 54.4811 33.2534 175.8534 20 A 4.3351 8.2618 127.2733 51.1607 17.2383 177.1085 21 A 4.0981 7.8291 125.7327 54.3097 19.4258 178.7894 22 T 4.3305 7.6410 108.9995 60.9943 68.4010 173.6892 23 K 4.6389 8.3743 125.7749 54.8231 35.2247 175.3568 24 L 4.6488 8.3673 120.9168 53.1786 43.8178 176.4038 25 T 4.3548 8.4193 116.5330 61.6877 71.0132 174.1931 *26 E 5.1487 8.3479 119.9022 53.5985 30.3110 174.8512 27 E 3.9667 8.4664 122.9673 56.7646 30.9301 176.5373 28 K 4.7108 8.7493 125.8720 56.5626 33.5983 175.4139 29 Y 4.9103 9.1621 127.4552 56.1925 41.9491 173.3545 30 E 5.5705 8.4199 125.8610 54.1738 31.7303 175.5198 31 L 4.6182 7.9695 121.9844 52.9689 46.6335 175.6890 32 K 4.5723 8.7446 121.9347 55.8132 33.3543 176.5331 33 E 4.2182 8.6663 124.3493 57.9410 29.9650 177.7358 34 G 4.3005 9.6283 114.2496 45.2922 0.0000 173.3220 35 Q 4.3870 7.7781 121.4365 55.7631 30.9402 174.0579 36 T 5.0509 8.1599 116.6979 61.4244 71.5483 173.4516 37 L 4.5900 9.0833 129.6339 54.6326 43.4100 174.8173 38 D 5.1074 8.8430 126.0410 52.5712 43.2871 174.7254 39 V 4.2832 8.4184 126.3816 60.7717 34.6360 174.3140 40 K 4.7216 8.4592 126.2210 54.8811 34.7725 176.4583 41 C 4.2367 9.1956 124.7107 55.3535 41.2457 173.1055 42 D 4.9657 8.6727 125.6698 53.9128 40.1070 175.1274 43 Y 4.6213 8.5226 124.7800 56.9514 39.6609 178.2925 44 T 3.1598 8.1918 112.8417 63.9722 68.5684 172.5426 45 L 4.1589 7.9625 120.2433 54.7602 42.3218 177.8304 46 E 4.1612 9.0022 124.7609 58.7766 29.8220 178.4866 47 K 4.0646 7.8640 116.4519 58.6413 32.9719 177.4476 48 F 4.5715 7.9941 117.9412 58.3854 39.7718 177.7152 49 A 3.9648 8.0059 123.0948 54.5676 18.1621 178.9568 50 S 4.8106 8.2267 109.0034 59.6309 64.3890 174.2670 51 S 4.5831 7.8173 115.6221 58.0346 63.7367 174.1039 52 Q 4.0186 8.5785 123.0799 56.2780 30.0429 174.9429 53 K 5.4082 9.0862 124.7740 54.9093 36.4961 174.8752 54 A 5.1989 9.2839 122.9767 50.5894 23.6196 174.7196 55 W 5.4127 9.6430 129.7495 55.9879 32.9500 174.8620 56 Q 5.0351 8.7770 125.5724 54.0101 32.7814 173.9512 57 I 4.1808 8.0764 121.1080 59.1633 40.5102 174.2567 58 I 4.3617 8.4478 130.6283 60.3642 38.3260 175.8618 59 R 4.4793 8.5153 126.4114 53.9464 32.9729 175.3721 60 D 4.4091 8.4360 119.6648 56.2294 41.4847 176.1760 61 G 3.7769 8.6233 112.6777 45.3319 0.0000 173.1188 62 E 3.6042 7.9444 115.2030 57.7832 26.8479 175.7375 63 M 4.6232 7.7054 118.6834 52.9329 33.9610 175.2211 64 P 4.8609 0.0000 0.0000 62.1789 33.3052 175.9374 65 K 4.5388 8.7253 123.1126 54.5471 34.4420 175.1809 66 T 4.4940 8.5728 118.9591 61.9767 68.7268 174.4564 67 L 4.4323 9.0096 126.1889 56.0444 43.0611 176.7552 68 A 4.7426 7.5458 117.1423 51.1369 22.1909 175.1109 69 C 5.3708 8.6752 115.9223 56.5694 33.3298 173.6870 70 T 4.3291 8.7704 111.4099 60.9327 70.1993 173.7604 71 E 4.2073 8.3379 121.4436 55.6385 30.8561 175.9469 72 R 4.4914 8.0343 119.2958 54.1992 32.3230 173.3855 73 P 4.5849 0.0000 0.0000 62.7632 32.7151 174.9615 74 S 4.7156 9.2369 115.4199 56.6658 63.6505 173.4713 75 K 4.4039 8.3684 126.6884 54.8375 34.1810 176.0604 76 N 4.1039 8.2979 119.6000 54.4031 39.5383 173.8898 77 S 3.9795 7.3127 110.8901 58.9612 62.6594 173.3890 78 H 4.7220 7.5800 113.8731 53.6691 29.0483 171.2540 79 P 4.3967 0.0000 0.0000 62.9229 32.4782 176.0507 80 V 4.3527 9.0719 124.3785 61.2359 33.6812 174.1362 81 Q 5.2318 8.6896 126.7683 54.0488 31.3371 175.9197 82 V 4.1754 8.8358 124.2282 61.0868 33.7812 174.5020 83 G 3.8925 8.4671 117.2590 46.9869 0.0000 173.1700 84 R 4.4958 8.4709 118.4485 56.0810 30.1341 175.2558 85 I 4.8199 7.7027 120.1546 60.4749 39.5231 174.6588 86 I 4.7970 8.6305 128.3098 59.4008 39.8747 174.2782 87 L 5.0836 9.0379 130.0844 53.0863 44.7236 174.7618 88 E 4.7276 9.4937 126.8469 54.4980 33.4381 173.2607 89 D 4.8475 8.6793 126.5561 53.7813 42.8917 174.7608 90 Y 4.8573 9.2403 125.9235 56.4607 36.9742 175.9222 91 H 4.3024 9.1443 121.0869 58.8417 29.4806 176.8857 92 D 4.5048 8.3983 117.3065 56.5100 39.0847 176.9080 93 H 4.5141 8.3156 113.6875 54.6704 29.4952 174.9576 94 G 3.6438 8.4074 108.8358 45.8834 0.0000 173.0085 95 L 4.7375 7.2924 116.9662 53.6693 44.9131 174.1918 96 L 5.0279 9.0445 122.2794 53.5493 44.1968 174.7981 97 R 4.9397 9.4225 127.1783 54.5428 32.5124 174.4857 98 V 4.5464 8.4452 126.3408 60.9670 34.4563 174.3523 99 R 4.8894 8.7326 125.6560 54.6567 34.3369 174.3721 100 M 4.9283 8.9378 122.9078 53.3505 34.4324 174.7224 101 V 3.8776 8.6708 124.3689 62.1242 32.7152 175.4920 102 N 4.1825 8.6427 124.0097 54.2283 36.8733 173.4668 103 L 4.4499 8.4058 120.3713 55.3176 43.1704 177.3374 104 Q 4.9402 9.7005 121.7609 53.8085 31.7113 177.1658 105 V 3.7033 8.6156 119.2238 65.9247 31.6378 177.8229 106 E 4.2625 8.0762 117.2785 58.0786 29.4900 177.1761 107 D 4.6737 7.8067 117.9379 55.6462 41.2257 176.8748 108 S 4.4492 7.8663 116.1266 58.8268 63.5389 174.3255 109 G 3.7857 8.3568 110.2107 46.4380 0.0000 170.6694 110 L 5.0857 7.4456 121.5127 53.7234 43.7482 175.0788 111 Y 5.0538 9.0610 123.7857 56.3888 42.1566 174.4449 112 Q 4.8369 7.9482 117.2531 55.4256 32.2614 172.9050 113 C 5.3861 8.9218 118.6036 56.5808 41.9242 173.2175 114 V 4.7002 9.1586 121.6211 61.3402 34.9611 174.1097 115 I 4.7384 8.4084 128.0170 59.5010 38.6005 175.0811 116 Y 4.1055 9.2582 126.1908 58.7279 38.1153 176.6168 117 Q 4.6841 8.3867 121.7684 52.8974 33.3428 173.1989 118 P 4.4105 0.0000 0.0000 62.2042 31.7089 175.7467 119 P 4.3730 0.0000 0.0000 65.2085 31.2318 177.0270 120 K 4.3049 7.9672 116.4577 56.6959 32.4834 176.0037 121 E 4.8091 7.6603 118.0702 53.1193 32.6670 174.0092 122 P 4.2862 0.0000 0.0000 63.1881 31.8862 175.6876 123 H 4.8728 8.4759 119.6679 55.1948 29.7044 174.4864 124 M 4.2558 8.8651 124.4402 54.6606 32.8559 175.3768 125 L 4.6944 7.9803 124.8015 52.8111 45.0644 176.2868 126 F 4.5979 8.4957 121.0944 56.7749 40.0845 175.3522 127 D 4.6911 8.5455 122.8975 54.4914 41.5763 176.5051 128 R 4.5547 8.3753 121.1309 55.9904 31.9886 175.9217 129 I 4.4208 9.0081 120.3469 60.0233 40.3035 175.4854 130 R 4.4687 9.3003 130.1862 54.8248 29.5882 173.3203 131 L 4.6905 9.0343 126.3602 54.4943 43.7924 175.1997 132 V 4.4688 9.2093 126.9374 61.1838 34.0047 174.2357 133 V 4.6464 8.4228 129.5679 62.0967 32.2107 175.3257 134 T 4.6947 8.6534 118.6118 59.8224 71.4639 174.2416 135 L 4.5540 8.3426 122.8230 54.3089 42.8148 177.0441 136 E 4.1110 8.5735 118.3120 56.7302 29.7617 176.6927 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 16 M 8.30 4.41 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 17 E 8.76 4.49 0.00 2.02 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 2.19 2.39 0.00 18 L 8.69 4.79 0.00 1.58 1.53 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.29 4.59 0.00 1.71 1.75 0.00 3.22 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 20 A 8.26 4.34 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 21 A 7.83 4.10 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 22 T 7.64 4.33 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 23 K 8.37 4.64 0.00 1.85 1.73 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.41 7.81 24 L 8.37 4.65 0.00 1.61 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.42 4.35 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 1.23 0.00 0.00 *26 E 8.35 5.15 0.00 1.72 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 2.11 1.87 0.00 27 E 8.47 3.97 0.00 1.96 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 2.44 2.38 0.00 28 K 8.75 4.71 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 29 Y 9.16 4.91 0.00 3.04 2.83 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 30 E 8.42 5.57 0.00 1.76 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 2.20 2.13 0.00 31 L 7.97 4.62 0.00 1.48 1.42 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.74 4.57 0.00 1.67 1.70 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.50 7.81 33 E 8.67 4.22 0.00 1.90 2.34 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 2.31 2.49 0.00 34 G 9.63 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 35 Q 7.78 4.39 0.00 2.38 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 36 T 8.16 5.05 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 37 L 9.08 4.59 0.00 1.66 1.49 0.84 1.13 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 38 D 8.84 5.11 0.00 2.62 2.50 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 0.00 39 V 8.42 4.28 1.62 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 0.90 0.00 0.00 0.78 0.00 0.00 40 K 8.46 4.72 0.00 1.50 1.55 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.27 7.81 41 C 9.20 4.24 0.00 2.42 1.56 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 42 D 8.67 4.97 0.00 2.67 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 43 Y 8.52 4.62 0.00 3.06 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 44 T 8.19 3.16 4.33 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 1.35 0.00 0.00 45 L 7.96 4.16 0.00 2.05 1.54 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.00 4.16 0.00 2.05 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 2.42 2.36 0.00 47 K 7.86 4.06 0.00 1.66 1.73 0.00 1.29 0.00 0.00 1.44 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.29 7.81 48 F 7.99 4.57 0.00 3.03 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 49 A 8.01 3.96 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 50 S 8.23 4.81 0.00 3.92 4.14 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 51 S 7.82 4.58 0.00 4.11 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 52 Q 8.58 4.02 0.00 1.89 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 1.51 2.32 0.00 53 K 9.09 5.41 0.00 1.71 1.71 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.33 1.53 7.81 54 A 9.28 5.20 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 55 W 9.64 5.41 0.00 3.30 2.99 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 56 Q 8.78 5.04 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 57 I 8.08 4.18 1.48 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.81 0.80 0.00 0.00 58 I 8.45 4.36 1.72 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 1.05 0.87 0.83 0.00 0.00 59 R 8.52 4.48 0.00 1.93 1.79 0.00 3.09 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 60 D 8.44 4.41 0.00 2.60 2.55 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 61 G 8.62 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.94 3.60 0.00 2.08 1.98 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 2.19 2.23 0.00 63 M 7.71 4.62 0.00 1.94 1.95 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 2.64 2.47 0.00 64 P 0.00 4.86 0.00 2.06 1.99 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 65 K 8.73 4.54 0.00 1.75 1.63 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.33 7.81 66 T 8.57 4.49 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 1.27 0.00 0.00 67 L 9.01 4.43 0.00 1.89 1.94 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.55 4.74 1.30 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 69 C 8.68 5.37 0.00 2.97 2.93 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 70 T 8.77 4.33 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 1.22 0.00 0.00 71 E 8.34 4.21 0.00 2.06 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 2.28 2.26 0.00 72 R 8.03 4.49 0.00 1.63 1.71 0.00 3.38 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 73 P 0.00 4.58 0.00 2.13 2.07 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 74 S 9.24 4.72 0.00 3.84 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 75 K 8.37 4.40 0.00 1.77 1.70 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.15 0.86 7.81 76 N 8.30 4.10 0.00 2.39 2.67 0.00 0.00 7.23 7.63 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 77 S 7.31 3.98 0.00 4.11 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 78 H 7.58 4.72 0.00 3.17 3.22 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.40 0.00 1.88 1.94 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.32 0.00 80 V 9.07 4.35 2.16 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 1.04 0.00 0.00 1.02 0.00 0.00 81 Q 8.69 5.23 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 82 V 8.84 4.18 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 0.79 0.00 0.00 1.03 0.00 0.00 83 G 8.47 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 84 R 8.47 4.50 0.00 2.13 2.15 0.00 3.11 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 85 I 7.70 4.82 2.11 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.91 0.00 0.00 86 I 8.63 4.80 1.81 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 1.09 0.82 0.88 0.00 0.00 87 L 9.04 5.08 0.00 1.59 1.47 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.49 4.73 0.00 1.83 1.60 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 1.47 1.86 0.00 89 D 8.68 4.85 0.00 2.92 2.60 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 90 Y 9.24 4.86 0.00 3.02 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 91 H 9.14 4.30 0.00 3.14 3.49 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.40 4.50 0.00 2.70 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 93 H 8.32 4.51 0.00 3.09 3.27 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.41 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 95 L 7.29 4.74 0.00 1.65 1.50 0.79 0.06 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 96 L 9.04 5.03 0.00 1.83 1.54 1.00 1.02 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 97 R 9.42 4.94 0.00 1.98 2.13 0.00 2.96 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 98 V 8.45 4.55 0.92 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 -0.75 0.00 0.00 0.50 0.00 0.00 99 R 8.73 4.89 0.00 1.69 1.66 0.00 3.21 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 100 M 8.94 4.93 0.00 1.87 1.89 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 2.31 2.44 0.00 101 V 8.67 3.88 2.18 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 0.86 0.00 0.00 0.90 0.00 0.00 102 N 8.64 4.18 0.00 2.96 2.75 0.00 0.00 7.19 6.66 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 0.00 103 L 8.41 4.45 0.00 1.77 1.60 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 9.70 4.94 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 105 V 8.62 3.70 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 1.04 0.00 0.00 1.03 0.00 0.00 106 E 8.08 4.26 0.00 2.01 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 2.33 2.41 0.00 107 D 7.81 4.67 0.00 2.95 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 0.00 108 S 7.87 4.45 0.00 3.80 3.87 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 0.00 109 G 8.36 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 0.00 0.00 0.00 110 L 7.45 5.09 0.00 1.61 1.38 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.06 5.05 0.00 2.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 4.84 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 113 C 8.92 5.39 0.00 2.79 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 0.00 114 V 9.16 4.70 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 1.02 0.00 0.00 1.01 0.00 0.00 115 I 8.41 4.74 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.81 0.00 0.00 116 Y 9.26 4.11 0.00 2.86 2.96 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 0.00 117 Q 8.39 4.68 0.00 1.78 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 118 P 0.00 4.41 0.00 2.25 2.23 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 119 P 0.00 4.37 0.00 2.21 2.26 0.00 3.79 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 2.01 2.01 0.00 120 K 7.97 4.30 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 121 E 7.66 4.81 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 2.23 2.21 0.00 122 P 0.00 4.29 0.00 2.17 2.05 0.00 3.77 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 2.01 2.00 0.00 123 H 8.48 4.87 0.00 3.12 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.87 4.26 0.00 1.61 1.87 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.00 0.00 125 L 7.98 4.69 0.00 1.57 1.49 0.91 0.85 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 0.00 126 F 8.50 4.60 0.00 3.11 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 0.00 127 D 8.55 4.69 0.00 2.64 2.65 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 0.00 128 R 8.38 4.55 0.00 1.88 1.96 0.00 3.10 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 129 I 9.01 4.42 2.11 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 1.08 0.00 0.00 130 R 9.30 4.47 0.00 2.21 1.90 0.00 3.13 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 131 L 9.03 4.69 0.00 2.05 1.97 1.03 0.90 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 0.00 132 V 9.21 4.47 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 0.91 0.00 0.00 0.98 0.00 0.00 133 V 8.42 4.65 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 0.91 0.00 0.00 1.05 0.00 0.00 134 T 8.65 4.69 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 1.25 0.00 0.00 135 L 8.34 4.55 0.00 1.55 1.64 0.92 0.92 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 0.00 136 E 8.57 4.11 0.00 2.07 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 2.27 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.