NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2233 0.0000 0.0000 62.5834 32.4534 175.7217 3 R 3.9962 8.4529 123.7464 54.4459 29.2092 174.1959 4 A 4.3459 7.9926 130.0968 50.2434 18.2553 176.3941 5 K 4.2800 7.9646 120.6377 56.5183 33.9158 178.3033 6 T 3.8249 8.6186 116.2213 66.3617 67.7574 173.9741 7 G 3.9994 7.9927 108.9624 45.4764 0.0000 174.0358 8 V 4.4167 7.5283 113.9714 61.4518 36.5513 179.0311 9 V 3.3345 7.4518 119.7063 65.1611 32.2759 177.6895 10 R 3.7847 7.9303 118.2317 59.3893 30.0977 177.7371 11 R 3.9093 8.0624 118.1073 60.3718 29.8258 177.4784 12 R 3.8534 7.9826 116.6397 59.5368 29.8078 178.6608 13 K 3.8076 7.9739 119.0547 60.1903 32.5522 178.8537 14 H 4.5235 8.2848 116.3125 58.6800 28.7024 177.9699 15 K 4.1991 8.3234 120.5972 59.6532 31.9996 178.8106 16 K 3.9108 8.1409 120.2473 58.7729 32.2660 177.7247 17 I 4.2001 8.0047 119.7741 62.8283 37.9530 177.7431 18 L 3.9871 7.9001 118.3985 57.3802 41.5083 179.0081 19 K 4.0466 7.7350 119.9022 59.3280 31.8906 178.8925 20 L 3.9368 7.6242 117.7983 57.4506 42.0020 178.3373 21 A 3.1270 7.8882 118.3173 50.9544 18.4351 177.2646 22 K 3.8414 6.6101 118.1311 58.3020 32.5308 177.0917 23 G 4.0386 8.8078 111.6653 45.6139 0.0000 173.4565 24 Y 4.6751 7.2917 116.3989 57.4224 38.6845 175.5386 25 W 4.2757 9.0255 132.1335 58.5285 32.4172 176.0277 26 G 3.5424 7.9674 115.1561 45.9088 0.0000 175.6052 27 L 3.9513 8.7506 121.9690 57.8494 41.7548 179.3080 28 R 4.2613 8.3349 117.5653 58.4332 30.0929 177.8268 29 S 4.7881 8.4379 109.8839 57.7720 64.1688 174.6423 30 K 4.2010 7.8514 119.3265 57.3268 33.7122 176.5944 31 S 4.4668 8.5908 116.9259 57.6069 62.5700 175.1560 *32 F 3.9669 8.5386 131.2334 60.8367 38.1585 171.9235 33 R 4.6406 8.2792 114.8270 58.6650 32.2639 178.0151 34 K 3.9223 8.0651 117.2689 59.2111 32.0110 179.0450 35 A 4.6789 7.8174 122.3374 54.5980 18.4187 178.9423 36 R 3.4266 7.8629 116.2309 59.6760 29.9441 177.9531 37 E 3.8902 7.9490 117.8664 59.9571 29.4556 179.7793 38 T 3.8375 7.6975 114.8401 66.7804 68.5375 176.5419 39 L 4.0531 8.3318 121.1478 58.0868 41.6995 179.5702 40 F 4.5805 8.3559 117.6384 60.8462 38.8793 177.4758 41 A 3.6996 7.7476 118.3675 54.9554 18.1670 179.4271 42 A 3.9970 8.2363 119.6933 55.4151 18.3943 180.0900 43 G 3.7010 8.7215 104.5163 48.0696 0.0000 175.4704 44 N 4.6196 8.0474 118.1203 55.7520 38.5646 177.3420 45 Y 4.2922 8.3600 118.6629 61.1019 37.9466 177.7211 46 A 4.3361 8.1634 121.6563 55.7159 18.2501 178.5910 47 Y 4.4210 7.9788 116.8221 61.3300 38.7243 178.7507 48 A 3.7214 7.9734 120.9650 55.3997 18.5457 179.3640 49 H 4.3395 9.0441 115.6227 58.8413 28.4438 177.9117 50 R 3.9423 8.2730 120.7647 59.0471 29.7558 178.8847 51 K 3.8269 7.5532 117.2521 59.2679 32.3901 178.9669 52 R 4.0739 7.6148 118.8352 58.8789 30.2052 177.8818 53 R 4.7035 8.3120 120.2726 59.0379 29.6451 178.1019 54 K 3.8418 7.6868 117.7492 59.6493 31.7557 178.5333 55 R 4.2988 8.4155 116.2683 57.1481 30.4394 178.1565 56 D 4.3506 8.5644 119.7105 56.3672 40.6918 177.8728 57 F 3.5964 7.8540 117.3434 58.7808 39.3852 177.7923 58 R 4.0663 7.2798 117.5141 59.1095 29.8919 178.5542 59 R 4.0018 7.3557 116.4761 58.4007 30.4214 177.9840 60 L 3.7601 7.2148 119.9527 58.3318 42.0454 178.2843 61 W 4.6402 8.0470 118.6153 60.2766 29.0273 178.1590 62 I 3.7922 7.8080 119.0605 64.8109 36.7395 178.5062 63 V 3.5261 7.6870 118.2581 66.1577 31.4137 178.0737 64 R 3.9453 7.7239 117.8397 59.4078 29.8434 178.8793 65 I 3.7639 7.9655 119.3410 65.1807 37.1153 177.3563 66 N 4.6813 8.8691 117.6859 56.1519 38.4944 176.7021 67 A 3.8033 8.7055 123.6390 55.0831 18.6280 179.0656 68 A 4.2263 8.5948 119.6339 54.9572 18.9962 179.3365 69 C 4.3097 9.0856 113.0233 60.6556 29.9485 175.8950 70 R 4.7767 9.0401 124.3848 58.7428 29.4305 177.9109 71 Q 4.1241 7.6272 118.0468 58.5955 28.9577 176.3360 72 H 4.7827 7.2999 115.6504 55.6810 28.9237 174.5269 73 G 4.2015 8.1057 111.3102 45.2144 0.0000 174.4823 74 L 4.7838 7.7518 118.1471 53.4087 43.4140 175.1822 75 N 5.0998 8.2673 117.3921 51.9344 40.4373 174.5377 76 Y 4.2329 8.9854 119.9781 61.7671 38.7302 178.7425 77 S 4.1683 8.1874 114.5737 62.0358 63.0336 176.9799 78 T 3.8863 8.3068 117.2397 66.9416 68.5496 175.8981 79 F 4.4341 8.6501 122.4477 62.0626 39.2273 177.1288 80 I 3.1980 7.9057 119.0129 64.7745 37.0147 177.8216 81 H 4.2904 8.1326 118.4013 59.9465 29.4402 176.1961 82 G 3.7000 8.5627 107.3136 46.6443 0.0000 175.0210 83 L 3.8434 7.9106 118.8046 57.1485 42.0092 179.2628 84 K 3.7311 7.9871 118.3634 59.6708 32.0668 178.5551 85 K 4.0351 7.8766 116.6045 59.5502 32.2770 178.7911 86 A 4.1274 8.1431 120.3988 54.6702 18.2530 178.5683 87 G 4.0541 8.5499 104.4949 45.8454 0.0000 174.7148 88 I 4.1116 7.4971 122.7585 59.7297 35.6751 175.6628 89 E 4.4750 8.2765 121.7187 56.4874 30.2639 177.0244 90 V 4.1767 7.3560 121.9233 60.1478 29.3436 177.9628 91 D 3.9420 9.4623 111.6973 53.6468 42.2079 172.7174 92 R 3.5437 6.7335 118.7062 58.2352 28.0637 178.2664 93 K 4.6170 7.2318 119.7576 58.5588 33.2401 176.8041 94 N 2.0000 7.2061 115.8812 55.5853 38.3701 175.8903 95 L 4.7135 7.8704 115.1769 54.9910 41.8829 176.9487 96 A 4.6038 7.7028 120.6482 52.0139 19.0235 179.2547 97 D 4.5742 7.4406 117.1108 55.0401 39.6337 178.2041 98 L 3.5485 8.0743 119.2033 56.8256 41.6977 177.9895 99 A 3.6647 7.2138 120.0358 53.5209 18.2135 178.2787 100 V 3.8827 8.0524 116.5173 63.9893 32.3997 175.5957 101 R 4.3656 7.5486 117.7757 55.8776 31.9717 176.1327 102 E 3.7454 8.7833 120.2294 57.0014 26.1143 174.2266 103 P 4.3903 0.0000 0.0000 65.7919 31.5934 178.1103 104 Q 3.9808 8.0638 117.8486 58.9554 28.7928 178.1948 105 V 3.6169 7.5026 119.3148 66.1219 31.4632 177.6441 106 F 4.2217 8.3620 119.2705 61.5443 39.3949 176.4415 107 A 3.9668 8.4868 120.5976 55.4494 17.9240 179.5190 108 E 3.8097 8.1512 116.6520 59.7459 29.4476 179.4407 109 L 3.9443 7.6826 117.4567 58.2855 41.8295 179.2817 110 V 3.1450 7.6066 118.5602 65.1005 31.3497 177.4182 111 E 3.8852 8.1664 117.6914 60.0113 29.4555 180.0111 112 R 3.9429 8.0538 116.1862 58.8817 29.8485 178.6675 113 A 4.2855 8.5140 121.3933 54.5996 18.8630 179.1550 114 K 4.2191 7.8002 113.0738 58.0127 32.9672 178.2577 115 A 4.1595 8.0378 123.1761 55.1709 18.7071 179.3383 116 A 4.2310 7.4644 115.5189 53.2771 19.6226 178.0689 117 Q 4.4627 7.5163 116.9451 53.7218 28.4150 176.0518 118 G 3.7410 8.0248 109.5486 45.3912 0.0000 171.2935 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 P 0.00 4.22 0.00 2.19 2.13 0.00 3.72 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 1.88 1.96 0.00 3 R 8.45 4.00 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 4 A 7.99 4.35 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 5 K 7.96 4.28 0.00 1.87 1.84 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 T 8.62 3.82 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 7 G 7.99 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 8 V 7.53 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 0.70 0.00 0.00 0.93 0.00 0.00 9 V 7.45 3.33 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 1.00 0.00 0.00 0.95 0.00 0.00 10 R 7.93 3.78 0.00 1.91 1.89 0.00 3.29 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 11 R 8.06 3.91 0.00 1.92 2.08 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 12 R 7.98 3.85 0.00 2.09 1.91 0.00 3.37 0.00 0.00 3.16 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 13 K 7.97 3.81 0.00 1.71 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.67 1.63 7.81 14 H 8.28 4.52 0.00 3.45 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.32 4.20 0.00 1.96 2.07 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.79 1.46 7.81 16 K 8.14 3.91 0.00 1.82 2.03 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 17 I 8.00 4.20 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.87 0.00 0.00 18 L 7.90 3.99 0.00 1.58 1.70 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.74 4.05 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 20 L 7.62 3.94 0.00 1.76 1.68 0.92 0.78 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 21 A 7.89 3.13 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 6.61 3.84 0.00 1.67 1.69 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.49 7.81 23 G 8.81 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 24 Y 7.29 4.68 0.00 3.08 2.89 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 25 W 9.03 4.28 0.00 3.50 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 26 G 7.97 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.75 3.95 0.00 1.78 1.81 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.33 4.26 0.00 2.29 2.16 0.00 3.16 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 29 S 8.44 4.79 0.00 3.93 4.22 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 30 K 7.85 4.20 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.29 7.81 31 S 8.59 4.47 0.00 3.84 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 *32 F 8.54 3.97 0.00 2.41 2.21 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 0.00 33 R 8.28 4.64 0.00 1.75 1.91 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 34 K 8.07 3.92 0.00 1.91 1.91 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.49 7.81 35 A 7.82 4.68 1.35 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 0.00 0.00 0.00 36 R 7.86 3.43 0.00 1.69 1.76 0.00 3.11 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 37 E 7.95 3.89 0.00 2.17 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 2.38 2.48 0.00 38 T 7.70 3.84 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39 L 8.33 4.05 0.00 1.67 1.77 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.36 4.58 0.00 3.22 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 41 A 7.75 3.70 1.01 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 42 A 8.24 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.62 0.00 2.93 2.90 0.00 0.00 6.97 7.05 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 45 Y 8.36 4.29 0.00 3.15 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 46 A 8.16 4.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.98 4.42 0.00 2.97 3.24 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 48 A 7.97 3.72 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 49 H 9.04 4.34 0.00 3.17 3.33 0.00 5.63 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 50 R 8.27 3.94 0.00 2.06 1.98 0.00 3.24 0.00 0.00 3.23 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 51 K 7.55 3.83 0.00 1.57 1.80 0.00 1.42 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.22 7.81 52 R 7.61 4.07 0.00 1.87 2.03 0.00 3.12 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 53 R 8.31 4.70 0.00 2.01 2.12 0.00 3.22 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 54 K 7.69 3.84 0.00 1.99 1.89 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 R 8.42 4.30 0.00 1.86 1.92 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 56 D 8.56 4.35 0.00 2.76 2.45 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 57 F 7.85 3.60 0.00 1.90 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 58 R 7.28 4.07 0.00 1.98 2.08 0.00 3.13 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 59 R 7.36 4.00 0.00 2.00 1.74 0.00 3.15 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 60 L 7.21 3.76 0.00 1.41 1.11 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.05 4.64 0.00 3.65 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.79 2.02 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 1.27 0.97 0.39 0.00 0.00 63 V 7.69 3.53 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 0.84 0.00 0.00 0.89 0.00 0.00 64 R 7.72 3.95 0.00 2.07 1.99 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 65 I 7.97 3.76 2.42 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 1.56 1.26 1.37 0.00 0.00 66 N 8.87 4.68 0.00 3.05 2.92 0.00 0.00 7.16 7.71 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 67 A 8.71 3.80 1.37 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 68 A 8.59 4.23 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 69 C 9.09 4.31 0.00 2.62 3.85 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 70 R 9.04 4.78 0.00 1.93 2.06 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 71 Q 7.63 4.12 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 72 H 7.30 4.78 0.00 3.13 3.18 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 73 G 8.11 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 0.00 0.00 0.00 74 L 7.75 4.78 0.00 1.78 1.74 0.79 0.33 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 75 N 8.27 5.10 0.00 3.13 3.06 0.00 0.00 5.54 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 76 Y 8.99 4.23 0.00 3.32 3.06 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 77 S 8.19 4.17 0.00 4.20 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 78 T 8.31 3.89 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 79 F 8.65 4.43 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 80 I 7.91 3.20 1.59 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.27 0.75 0.00 0.00 81 H 8.13 4.29 0.00 3.25 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.56 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.84 0.00 1.49 1.79 0.97 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.99 3.73 0.00 1.88 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 85 K 7.88 4.04 0.00 1.80 1.77 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.25 7.81 86 A 8.14 4.13 1.38 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 0.00 0.00 0.00 87 G 8.55 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 88 I 7.50 4.11 1.82 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 1.28 0.69 0.88 0.00 0.00 89 E 8.28 4.47 0.00 1.90 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 2.27 2.27 0.00 90 V 7.36 4.18 2.05 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 0.77 0.00 0.00 0.91 0.00 0.00 91 D 9.46 3.94 0.00 2.69 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 92 R 6.73 3.54 0.00 1.95 1.74 0.00 3.12 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 93 K 7.23 4.62 0.00 2.13 2.26 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.26 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.78 1.73 7.81 94 N 7.21 2.00 0.00 1.44 2.22 0.00 0.00 7.15 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 95 L 7.87 4.71 0.00 1.78 1.57 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.70 4.60 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 97 D 7.44 4.57 0.00 2.68 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 98 L 8.07 3.55 0.00 1.76 1.94 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.21 3.66 0.33 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 0.00 100 V 8.05 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 101 R 7.55 4.37 0.00 1.91 1.82 0.00 3.29 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 102 E 8.78 3.75 0.00 2.21 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 0.00 2.30 2.24 0.00 103 P 0.00 4.39 0.00 2.33 2.35 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 104 Q 8.06 3.98 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 105 V 7.50 3.62 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 1.04 0.00 0.00 0.97 0.00 0.00 106 F 8.36 4.22 0.00 3.32 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 3.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.81 0.00 2.25 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 2.32 2.50 0.00 109 L 7.68 3.94 0.00 1.74 1.83 1.06 0.75 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 0.00 110 V 7.61 3.14 2.03 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 0.71 0.00 0.00 0.27 0.00 0.00 111 E 8.17 3.89 0.00 2.13 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 2.48 2.47 0.00 112 R 8.05 3.94 0.00 1.75 2.01 0.00 3.30 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 113 A 8.51 4.29 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 0.00 114 K 7.80 4.22 0.00 1.90 1.91 0.00 1.47 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.45 7.81 115 A 8.04 4.16 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 0.00 116 A 7.46 4.23 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 0.00 117 Q 7.52 4.46 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 118 G 8.02 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.