NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3266 8.4445 119.6874 55.8354 30.2294 174.4833 3 R 4.5151 8.1970 116.1389 53.6032 33.0257 167.4745 4 V 4.4493 9.1215 122.3638 60.5895 35.0446 174.2693 5 T 4.6102 8.4685 123.4231 61.9247 70.1859 173.9792 6 I 4.6635 8.0101 125.3870 59.7284 40.9950 174.6789 7 T 4.5067 8.3446 119.4241 62.1107 69.6553 174.4900 8 L 4.8359 8.1605 125.6778 52.1567 45.3215 176.7509 9 D 4.6052 8.3745 122.0178 52.9239 41.6067 177.0798 10 D 4.3859 8.6799 121.4882 57.7576 40.9287 178.9920 11 D 4.3190 8.0277 118.7329 56.5030 39.3222 177.9580 12 L 3.9298 7.6289 120.9242 57.8689 42.0686 179.0591 13 L 3.9750 8.1229 118.7311 57.6355 41.4665 179.1191 14 E 4.0655 8.4684 119.8867 59.4748 29.6660 178.9944 15 T 3.9893 7.9502 115.9382 66.1251 68.5477 176.8210 16 L 3.9397 8.2393 122.7360 58.3191 42.1693 178.8046 17 D 4.3810 8.6180 119.2828 57.1013 40.4674 178.6252 18 S 4.0437 8.0329 113.8411 61.4997 62.4892 176.1661 19 L 4.0364 7.8379 122.0077 57.4642 41.7455 178.9302 20 S 4.1440 7.9247 113.5838 61.5557 62.2263 175.8971 21 Q 4.0960 7.9506 121.6980 60.4015 28.8297 179.1294 22 R 4.0280 8.0332 124.1592 61.4983 29.1178 180.7980 23 R 4.2736 8.2472 124.1104 59.1384 30.3089 178.4455 24 G 3.8968 8.0830 104.1820 47.8013 0.0000 173.2982 25 Y 4.5507 7.7566 115.6251 55.6839 40.1860 176.4641 26 N 4.4807 9.2165 122.1047 56.2591 39.1140 174.4876 27 N 4.7101 7.7562 112.5726 51.0017 40.0759 174.7743 28 R 3.8429 8.7277 116.4635 59.7716 29.9530 178.6518 29 S 4.0484 8.1438 112.1061 61.7104 62.3589 175.8642 30 E 3.9605 8.3038 121.0560 59.0156 29.3553 178.6120 31 A 2.7705 7.6140 120.3110 54.9277 18.3600 179.6640 32 I 3.5477 7.9751 118.7510 64.4978 37.2520 178.6697 33 R 3.8505 8.0452 119.5269 59.4615 29.8552 178.4024 34 D 4.3864 7.9482 118.4794 57.3095 40.8773 178.7047 35 I 3.7027 7.8101 120.4068 64.3611 36.9759 178.5190 36 L 3.9775 8.1943 120.1181 57.5153 41.4370 179.2728 37 R 3.8807 7.7662 118.3953 59.7064 29.9258 178.7707 38 S 4.0853 8.0940 114.3601 61.4658 62.6523 176.2601 39 A 3.9963 7.7857 122.0493 55.5591 18.1919 179.4937 40 L 4.0680 8.0855 115.8521 57.5471 41.6977 179.2189 41 A 4.2279 7.9334 122.5897 55.6703 19.2031 181.0215 42 Q 4.4264 8.2833 118.8723 54.4930 26.5365 178.2608 43 E 5.4978 7.4764 128.0038 56.4821 32.5584 175.9889 *49 G 3.8055 8.2837 114.7806 45.9467 0.0000 171.9761 50 T 4.1698 8.3236 113.8110 65.2827 69.2339 175.3380 51 Q 4.7410 8.1464 119.1887 53.4518 31.3224 176.0497 52 G 3.5903 6.8533 106.1614 46.1993 0.0000 170.8587 53 F 5.3180 7.7817 117.9817 56.0891 42.8473 174.2808 54 A 4.9902 8.5870 118.5213 51.3887 23.0971 175.5799 55 V 4.7318 8.8997 120.2213 60.9617 34.5561 174.0662 56 L 5.2990 9.1970 130.7216 53.2833 44.5083 175.1176 57 S 5.6693 9.0103 120.6270 56.0311 66.5587 172.4628 58 Y 5.2046 7.2728 117.2052 56.6334 40.9619 172.7091 59 V 5.1426 8.9064 120.5546 61.6334 34.9876 173.7874 60 Y 5.4116 8.4478 125.0842 57.4786 41.5944 173.7631 61 E 5.4907 9.1282 119.3281 55.3867 30.4418 178.1136 62 H 4.5781 9.2181 124.0998 58.3737 29.2844 178.3640 63 E 3.9427 8.6877 118.3624 59.8496 29.6206 183.8393 64 K 4.2813 6.4032 113.6846 54.2774 32.2675 177.5968 65 R 4.6179 7.8008 110.9168 56.0497 31.5006 178.3372 66 D 4.7481 8.2601 116.3321 56.2805 40.5058 175.4995 67 L 3.7905 7.5408 120.7964 57.9858 41.8551 178.6250 68 A 4.0070 7.7471 119.1079 55.5564 18.3053 179.6000 69 S 4.0447 8.3905 111.5831 61.5271 62.4600 176.3026 70 R 3.8860 7.8381 120.9247 59.5001 29.8076 178.4360 71 I 3.6540 8.1850 120.0633 64.1666 37.0549 178.5807 72 V 3.6900 7.8499 119.4296 66.0540 31.3928 178.2718 73 S 4.1800 8.0910 114.0356 61.6894 62.5959 176.3852 74 T 3.9558 7.8736 118.4886 66.7012 68.6868 176.1766 75 Q 4.7063 8.6326 120.1174 59.5596 28.7739 178.6696 76 H 4.2313 8.8239 117.5938 59.0096 28.4542 177.5248 77 H 4.3238 8.4506 117.8667 58.0092 28.6810 175.6298 78 H 4.8572 7.6382 117.5998 55.0940 29.6427 175.2999 79 H 4.3500 8.1020 118.7577 58.6038 28.2567 176.9954 80 D 4.2570 7.7016 118.5261 55.8930 39.2739 177.1999 81 L 4.6241 8.3316 118.2767 54.7389 42.1962 175.9159 82 S 4.9372 7.9114 114.4398 57.0630 63.4720 173.4217 83 V 4.0958 8.5364 128.2167 64.0989 31.8492 175.6279 84 A 4.5042 7.2229 119.2212 51.8403 22.1503 174.6147 85 T 5.0443 8.6607 115.3772 61.6888 71.9268 173.2646 86 L 4.7053 8.9802 128.1136 53.6973 44.3743 174.4961 87 H 5.1852 8.7081 124.7518 54.3324 33.0645 172.3302 88 V 4.1669 8.6210 125.2430 61.4729 34.2573 174.6445 89 H 5.0199 8.7731 126.3354 54.5868 27.2598 174.9128 90 I 3.8642 8.0371 118.0200 63.1987 37.9871 175.9729 91 N 4.8373 7.6466 117.7896 52.5345 39.5596 173.8464 *92 H 4.3583 8.9434 113.2842 57.3222 28.4354 171.5755 93 D 4.9124 8.3631 116.7431 54.2778 43.0356 175.1471 94 D 5.3524 10.2101 119.0867 52.8817 43.2512 175.4911 95 C 4.8634 8.7700 119.7126 57.6810 32.1067 172.5977 96 L 4.8609 8.3882 124.8441 53.2908 44.0255 174.8587 97 E 5.0565 8.5142 125.2076 54.4339 33.6920 175.0391 98 I 4.7086 8.6509 123.4501 59.5479 40.6877 174.0904 99 A 5.0912 9.3626 130.3755 50.2014 21.4480 175.3593 100 V 4.5730 8.7521 123.5634 61.7307 33.3006 174.9085 101 L 5.4713 9.0769 127.8932 53.2028 45.1432 175.3531 102 K 4.6198 9.8208 121.6620 55.5052 36.0341 174.9594 103 G 3.8084 7.9351 112.1566 44.5848 0.0000 171.9366 104 D 5.1419 7.8042 121.6697 53.4377 42.7969 176.8649 *106 G 3.9171 8.7247 103.8414 46.1068 0.0000 174.9043 107 D 4.4071 8.5437 121.1354 56.5854 40.5747 179.1376 108 V 3.7125 8.1667 119.2515 66.2415 31.7331 178.0341 109 Q 3.9776 8.1200 117.2453 59.4635 28.5718 178.6205 110 H 4.1815 8.2031 116.7146 58.6623 28.6123 177.5746 111 F 4.3935 8.6470 122.6222 61.2195 39.1384 177.1073 112 A 3.7383 8.2511 120.8601 55.1170 18.1667 179.2769 113 D 4.2776 7.8773 117.0182 57.6721 40.6488 178.7253 114 D 4.4024 8.0277 118.4090 57.1164 40.8387 178.8591 115 V 3.5902 7.1047 118.0863 65.4194 31.8452 177.5647 116 I 3.9551 7.3539 109.6935 61.2455 39.2751 175.8550 117 A 4.3550 7.6088 126.0919 50.3408 17.2266 175.6516 118 Q 4.5327 7.2597 122.4215 54.9105 32.0267 175.3920 119 R 3.9543 8.2244 117.4009 57.6724 29.8888 177.4668 120 G 4.0481 9.1094 109.9417 44.4870 0.0000 172.8512 121 V 4.5723 7.1104 119.4310 61.1868 32.9427 174.9376 122 R 4.6696 9.0327 125.3040 54.9377 33.4816 174.6262 123 H 4.3123 8.7808 112.5599 56.6532 26.4439 175.3824 124 G 3.9418 8.1743 105.8452 46.7613 0.0000 173.4355 125 H 5.0968 9.6605 124.4585 54.3678 33.9193 171.5236 126 L 5.1347 8.2290 126.2049 53.1651 44.7491 174.9466 127 Q 4.5612 9.0256 127.3800 54.5780 31.4175 173.8988 128 C 4.7909 8.7179 124.2886 59.0201 29.8860 174.2618 129 L 4.9236 9.0437 122.2060 52.1879 42.1538 173.8484 130 P 4.7783 0.0000 0.0000 62.9387 32.8132 177.9117 131 K 4.3266 8.7501 124.4356 55.6394 31.3395 177.1827 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 2 Q 8.44 4.33 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 3 R 8.20 4.52 0.00 1.84 1.62 0.00 3.20 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.25 0.00 4 V 9.12 4.45 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 1.00 0.00 0.00 0.93 0.00 0.00 5 T 8.47 4.61 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 6 I 8.01 4.66 1.86 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 1.41 0.60 0.90 0.00 0.00 7 T 8.34 4.51 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 8 L 8.16 4.84 0.00 1.57 1.51 0.90 1.10 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 9 D 8.37 4.61 0.00 2.86 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 10 D 8.68 4.39 0.00 2.70 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 11 D 8.03 4.32 0.00 2.86 2.92 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 12 L 7.63 3.93 0.00 1.89 1.94 0.91 0.64 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 13 L 8.12 3.98 0.00 1.89 1.70 0.92 0.66 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 14 E 8.47 4.07 0.00 2.12 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 2.31 2.35 0.00 15 T 7.95 3.99 4.38 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 1.21 0.00 0.00 16 L 8.24 3.94 0.00 1.77 1.78 0.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.62 4.38 0.00 2.75 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 18 S 8.03 4.04 0.00 3.96 4.08 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 19 L 7.84 4.04 0.00 1.85 1.91 0.98 0.64 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 20 S 7.92 4.14 0.00 4.15 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 0.00 21 Q 7.95 4.10 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 22 R 8.03 4.03 0.00 1.80 1.84 0.00 3.30 0.00 0.00 3.20 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 23 R 8.25 4.27 0.00 1.92 1.91 0.00 3.32 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 24 G 8.08 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 25 Y 7.76 4.55 0.00 2.99 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 26 N 9.22 4.48 0.00 2.85 2.92 0.00 0.00 6.80 7.51 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 27 N 7.76 4.71 0.00 2.83 2.93 0.00 0.00 6.21 7.66 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 28 R 8.73 3.84 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 29 S 8.14 4.05 0.00 3.88 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 30 E 8.30 3.96 0.00 2.15 2.22 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 2.73 2.49 0.00 31 A 7.61 2.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.55 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.87 0.00 0.00 33 R 8.05 3.85 0.00 1.97 2.13 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 34 D 7.95 4.39 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 35 I 7.81 3.70 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.88 0.00 0.00 36 L 8.19 3.98 0.00 1.83 1.70 0.91 1.07 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 37 R 7.77 3.88 0.00 2.18 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 38 S 8.09 4.09 0.00 3.93 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 39 A 7.79 4.00 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 40 L 8.09 4.07 0.00 1.61 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.93 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.43 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 43 E 7.48 5.50 0.00 1.97 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 2.05 2.06 0.00 *49 G 8.28 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.32 4.17 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 1.26 0.00 0.00 51 Q 8.15 4.74 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 52 G 6.85 3.59 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 0.00 0.00 0.00 53 F 7.78 5.32 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 54 A 8.59 4.99 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 55 V 8.90 4.73 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 1.03 0.00 0.00 0.94 0.00 0.00 56 L 9.20 5.30 0.00 1.74 1.65 0.90 0.37 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 57 S 9.01 5.67 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 58 Y 7.27 5.20 0.00 3.17 3.10 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 59 V 8.91 5.14 2.22 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 1.04 0.00 0.00 0.94 0.00 0.00 60 Y 8.45 5.41 0.00 3.17 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 61 E 9.13 5.49 0.00 1.68 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 2.28 1.71 0.00 62 H 9.22 4.58 0.00 3.53 3.74 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.69 3.94 0.00 1.92 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 2.31 1.87 0.00 64 K 6.40 4.28 0.00 1.88 1.65 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.31 7.81 65 R 7.80 4.62 0.00 1.68 1.85 0.00 3.29 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 1.51 1.13 0.00 66 D 8.26 4.75 0.00 2.86 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 67 L 7.54 3.79 0.00 1.90 1.74 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.75 4.01 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 0.00 0.00 69 S 8.39 4.04 0.00 4.03 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 70 R 7.84 3.89 0.00 1.90 2.01 0.00 3.22 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 71 I 8.18 3.65 1.69 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.46 0.79 0.00 0.00 72 V 7.85 3.69 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 1.14 0.00 0.00 1.06 0.00 0.00 73 S 8.09 4.18 0.00 4.06 4.07 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 74 T 7.87 3.96 4.49 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 1.43 0.00 0.00 75 Q 8.63 4.71 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 76 H 8.82 4.23 0.00 3.33 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.45 4.32 0.00 3.19 2.99 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.64 4.86 0.00 1.65 2.42 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.10 4.35 0.00 3.30 3.62 0.00 5.27 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.70 4.26 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.62 0.00 1.80 1.88 0.84 0.72 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 82 S 7.91 4.94 0.00 4.09 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 83 V 8.54 4.10 2.28 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 0.89 0.00 0.00 1.16 0.00 0.00 84 A 7.22 4.50 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 85 T 8.66 5.04 4.31 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 1.31 0.00 0.00 86 L 8.98 4.71 0.00 1.70 1.46 0.90 0.67 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 87 H 8.71 5.19 0.00 3.14 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.62 4.17 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 0.87 0.00 0.00 0.87 0.00 0.00 89 H 8.77 5.02 0.00 3.20 3.23 0.00 5.76 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 90 I 8.04 3.86 1.84 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 1.49 0.50 0.85 0.00 0.00 91 N 7.65 4.84 0.00 2.77 2.82 0.00 0.00 6.92 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 *92 H 8.94 4.36 0.00 2.95 3.03 0.00 7.15 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.36 4.91 0.00 2.65 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 94 D 10.21 5.35 0.00 2.64 2.51 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 95 C 8.77 4.86 0.00 1.75 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 0.00 0.00 0.00 0.00 96 L 8.39 4.86 0.00 1.61 1.49 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.51 5.06 0.00 1.16 1.54 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 0.00 2.01 2.41 0.00 98 I 8.65 4.71 1.80 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 1.06 0.56 0.88 0.00 0.00 99 A 9.36 5.09 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 0.00 100 V 8.75 4.57 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 1.04 0.00 0.00 0.94 0.00 0.00 101 L 9.08 5.47 0.00 1.67 1.64 0.82 0.30 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 0.00 102 K 9.82 4.62 0.00 1.73 1.52 0.00 1.39 0.00 0.00 1.53 0.00 0.00 2.57 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.95 0.36 7.81 103 G 7.94 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.80 5.14 0.00 2.67 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 *106 G 8.72 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 0.00 107 D 8.54 4.41 0.00 2.69 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 0.00 108 V 8.17 3.71 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 1.16 0.00 0.00 1.04 0.00 0.00 109 Q 8.12 3.98 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 110 H 8.20 4.18 0.00 3.27 3.38 0.00 5.82 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 0.00 111 F 8.65 4.39 0.00 3.02 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 0.00 112 A 8.25 3.74 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 0.00 113 D 7.88 4.28 0.00 2.92 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 0.00 114 D 8.03 4.40 0.00 3.05 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 0.00 115 V 7.10 3.59 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 0.00 0.00 0.69 0.00 0.00 116 I 7.35 3.96 1.83 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 1.60 0.70 0.67 0.00 0.00 117 A 7.61 4.35 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 0.00 118 Q 7.26 4.53 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 119 R 8.22 3.95 0.00 1.85 1.76 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 120 G 9.11 4.05 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 0.00 0.00 0.00 121 V 7.11 4.57 2.32 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 0.88 0.00 0.00 0.88 0.00 0.00 122 R 9.03 4.67 0.00 1.84 1.56 0.00 3.40 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 123 H 8.78 4.31 0.00 3.32 3.36 0.00 5.70 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 0.00 124 G 8.17 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 0.00 0.00 0.00 125 H 9.66 5.10 0.00 3.16 3.12 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.23 5.13 0.00 1.57 1.41 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 9.03 4.56 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 128 C 8.72 4.79 0.00 2.91 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 0.00 129 L 9.04 4.92 0.00 1.63 1.61 0.94 0.92 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 0.00 130 P 0.00 4.78 0.00 2.13 2.07 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 131 K 8.75 4.33 0.00 1.54 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.