NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.6944 8.4449 120.3742 56.2168 31.0485 172.1483 -2 H 4.7661 8.0197 121.4052 52.1238 30.8709 173.6808 -1 S 4.3966 9.4393 119.1964 61.0916 65.4594 173.9772 0 H 4.8516 7.5225 116.6472 55.4454 27.0471 177.8419 -1 N 4.6666 9.5293 122.1964 55.8916 40.5594 174.5771 0 S 4.5916 7.4125 114.1472 58.7454 61.8471 178.3419 4 C 4.7887 8.9886 126.0876 58.0070 30.7852 173.3409 5 I 4.9799 8.3855 124.8675 59.4454 39.2245 175.1838 6 L 4.6519 8.8029 126.9346 52.7452 45.6211 175.3354 7 Q 4.9064 8.5609 123.9380 54.9582 30.2891 174.2748 8 A 4.9044 9.1237 127.1679 51.4556 23.8421 174.2665 9 T 5.0243 8.7634 115.7557 61.6589 71.4197 174.6309 10 V 4.1712 8.7099 126.8825 63.3176 32.1056 176.4286 11 V 4.4619 8.9288 120.5201 61.0186 33.4708 175.6308 12 E 4.4107 8.0070 120.8565 53.9031 31.9018 174.4732 13 A 4.0927 8.6894 129.6277 51.6188 19.0181 174.9462 14 P 4.6524 0.0000 0.0000 63.2653 32.2472 175.6018 15 Q 4.6530 8.9555 121.4187 53.9959 31.8641 174.1545 16 L 5.2434 8.4595 125.3394 53.5011 44.6583 175.0913 17 R 4.6963 8.5140 120.0879 55.4248 33.5926 172.7999 18 Y 4.8329 8.3571 116.5621 56.0182 40.0018 176.4890 19 A 4.3580 8.9577 127.2935 51.5943 19.5430 177.7782 20 Q 4.0305 8.9539 115.6002 59.8029 28.1849 177.7819 21 D 4.5576 8.2487 114.2190 53.1332 39.5332 175.3387 22 N 4.3411 8.3291 116.7066 53.9893 36.8564 174.7943 23 Q 4.5215 8.4353 112.6019 56.8259 33.4394 174.3769 24 T 4.5931 8.7192 116.6439 61.4326 69.8581 173.0644 25 P 4.2764 0.0000 0.0000 62.2166 33.0562 175.9769 26 V 4.4145 8.6771 122.4834 59.8230 34.5552 173.9198 27 A 5.2652 8.6928 127.2276 49.8418 21.8108 174.8169 28 E 5.5562 8.6027 118.4994 53.2702 33.7883 174.8268 *30 V 4.3327 8.1230 119.2590 63.1106 33.1130 174.4583 31 V 5.0944 8.6411 119.0320 59.6098 36.0899 174.1298 32 Q 5.1823 9.2420 123.2609 54.4311 32.2768 174.1125 33 F 5.3424 8.5274 119.6878 54.2249 41.9054 172.1688 34 P 4.5206 0.0000 0.0000 62.9202 31.8879 176.7245 35 G 3.8668 8.4789 112.1306 45.0846 0.0000 173.3927 36 L 4.2571 8.8514 118.5604 56.0238 42.0639 177.6752 37 S 4.4326 8.4577 112.6903 62.0151 64.0220 174.8164 38 S 4.7635 8.2404 113.9767 58.6979 62.0548 173.0330 *40 D 4.3206 8.2044 120.7669 54.7612 41.8051 174.6457 41 A 4.3785 8.3095 127.5891 50.8269 19.5511 175.1796 42 P 4.5217 0.0000 0.0000 62.7147 32.4439 175.6985 43 A 4.5544 8.5643 123.1400 50.2990 21.6362 176.0347 44 R 4.9543 8.2024 118.3277 54.2459 33.3052 175.1781 45 L 4.8481 8.9806 124.6805 53.0208 46.0304 175.2220 46 K 4.5366 8.7624 127.2990 56.3280 33.8995 175.3614 47 V 4.9129 8.4254 126.2424 61.0876 34.7769 174.0581 48 V 4.8502 9.0244 127.0807 61.0364 34.8658 174.2566 49 G 4.5413 9.1208 114.4226 44.2314 0.0000 171.6004 50 W 5.0429 8.9293 122.4015 54.8304 32.2449 177.6173 51 G 3.7468 9.2980 110.5505 46.5854 0.0000 176.3721 52 A 4.0212 8.8111 122.4927 55.2862 18.2374 179.8585 53 V 3.6671 7.8523 116.6572 64.5376 31.5852 178.4204 54 A 3.9251 7.8871 121.8641 55.2637 18.2391 179.6390 55 Q 3.9303 7.9675 116.1027 58.9030 28.7501 178.4442 56 E 3.9527 8.1126 120.1256 59.0224 29.5920 178.8375 57 L 3.9836 7.9946 119.0349 58.0234 41.5592 179.3247 58 Q 3.9213 7.6990 117.8052 59.1669 28.9969 177.4951 59 D 4.4177 8.0353 118.4293 56.6718 41.3524 177.4468 60 R 4.4075 7.8529 116.7695 56.5174 31.3742 176.7151 61 C 4.3690 7.9512 117.3248 59.4129 28.6725 173.1920 62 R 4.7397 9.0766 123.5008 53.4695 33.3615 175.0362 63 L 4.2483 8.3208 119.0586 56.9286 41.8601 177.5713 64 N 4.4404 9.2347 120.3916 53.6623 38.6732 173.7886 65 D 4.5789 8.0288 117.7089 54.9152 42.2060 174.7170 66 E 4.9439 8.7156 123.8066 55.0124 30.9770 175.1204 67 V 4.7634 9.1212 119.4617 59.5890 36.8623 174.2937 68 V 4.7862 8.4141 120.8960 61.2400 34.0110 174.1472 69 L 5.2081 9.1421 127.6335 52.8376 45.0497 174.8972 70 E 4.8855 8.7449 123.7383 54.8407 32.5931 175.2708 71 G 4.0540 8.3465 112.2711 46.2464 0.0000 171.4054 72 R 5.5268 8.2553 118.6580 54.0948 33.1274 175.5863 73 L 4.5500 8.8299 125.5845 55.1017 43.0556 175.8826 74 R 4.7911 9.1729 125.4642 54.8295 33.7668 173.9996 75 I 5.2464 8.1439 125.8757 59.0597 41.4263 175.5202 *87 K 4.0454 8.5232 124.5739 55.2451 32.6121 176.4354 88 Q 4.7724 8.4248 122.4487 52.3639 31.1280 171.3822 89 T 4.7163 8.2764 119.4338 62.0776 70.1477 173.7604 90 E 4.9496 8.7491 120.4256 55.6112 33.5625 173.7228 91 L 4.9123 8.6380 123.7626 53.8880 44.2700 175.4682 92 T 4.8279 8.8439 124.7808 62.3778 69.2281 174.5025 93 V 4.0893 8.7053 128.0621 63.5256 31.7285 175.6115 94 T 4.5363 9.2128 124.2689 65.0190 70.0944 175.1133 95 R 4.9355 7.7104 117.9260 54.6045 35.0596 174.5764 96 V 4.8338 8.2072 119.5120 60.3566 34.8989 173.8938 97 H 4.7257 9.1987 123.8504 54.7368 31.9020 173.9715 98 H 4.4519 8.5009 121.9451 56.0564 28.7541 175.1917 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 -3 H 8.44 4.69 0.00 3.06 3.25 0.00 5.68 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 -2 H 8.02 4.77 0.00 3.17 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 9.44 4.40 0.00 4.04 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 0 H 7.52 4.85 0.00 3.08 2.58 0.00 5.93 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 -1 N 9.53 4.67 0.00 2.98 3.02 0.00 0.00 6.16 7.90 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 S 7.41 4.59 0.00 3.68 3.29 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 4 C 8.99 4.79 0.00 2.94 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 5 I 8.39 4.98 1.83 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 1.31 0.57 0.91 0.00 0.00 6 L 8.80 4.65 0.00 1.30 1.11 0.51 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.56 4.91 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 8 A 9.12 4.90 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 9 T 8.76 5.02 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 1.28 0.00 0.00 10 V 8.71 4.17 2.27 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 0.94 0.00 0.00 0.95 0.00 0.00 11 V 8.93 4.46 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 0.79 0.00 0.00 0.96 0.00 0.00 12 E 8.01 4.41 0.00 1.85 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 2.17 2.28 0.00 13 A 8.69 4.09 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 14 P 0.00 4.65 0.00 2.05 2.05 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.22 0.00 15 Q 8.96 4.65 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 16 L 8.46 5.24 0.00 1.54 1.41 0.81 0.67 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 17 R 8.51 4.70 0.00 1.85 1.90 0.00 2.74 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 18 Y 8.36 4.83 0.00 2.88 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 19 A 8.96 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.95 4.03 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 21 D 8.25 4.56 0.00 2.95 2.88 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 22 N 8.33 4.34 0.00 2.79 2.81 0.00 0.00 6.68 8.30 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 23 Q 8.44 4.52 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 6.85 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 24 T 8.72 4.59 4.48 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 1.49 0.00 0.00 25 P 0.00 4.28 0.00 1.88 1.50 0.00 3.55 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 26 V 8.68 4.41 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 0.00 0.00 0.44 0.00 0.00 -0.09 0.00 0.00 27 A 8.69 5.27 1.15 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 0.00 0.00 0.00 0.00 0.00 28 E 8.60 5.56 0.00 1.94 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 2.10 2.01 0.00 *30 V 8.12 4.33 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 1.10 0.00 0.00 0.93 0.00 0.00 31 V 8.64 5.09 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 0.72 0.00 0.00 1.13 0.00 0.00 32 Q 9.24 5.18 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 33 F 8.53 5.34 0.00 3.13 3.12 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 34 P 0.00 4.52 0.00 2.03 2.07 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 35 G 8.48 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 0.00 0.00 0.00 36 L 8.85 4.26 0.00 1.66 1.76 0.96 1.14 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 37 S 8.46 4.43 0.00 3.79 3.82 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 38 S 8.24 4.76 0.00 3.75 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 *40 D 8.20 4.32 0.00 2.73 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 41 A 8.31 4.38 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 42 P 0.00 4.52 0.00 1.86 1.98 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 43 A 8.56 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.20 4.95 0.00 1.60 1.78 0.00 3.12 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 45 L 8.98 4.85 0.00 1.97 1.73 1.01 0.64 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 46 K 8.76 4.54 0.00 1.90 1.84 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.44 7.81 47 V 8.43 4.91 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 0.94 0.00 0.00 0.96 0.00 0.00 48 V 9.02 4.85 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 0.80 0.00 0.00 0.93 0.00 0.00 49 G 9.12 4.54 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 50 W 8.93 5.04 0.00 3.10 3.16 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 0.00 0.00 0.00 0.00 51 G 9.30 3.75 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 0.00 0.00 0.00 52 A 8.81 4.02 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 53 V 7.85 3.67 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 1.04 0.00 0.00 0.96 0.00 0.00 54 A 7.89 3.93 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 55 Q 7.97 3.93 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 56 E 8.11 3.95 0.00 2.09 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 2.43 2.39 0.00 57 L 7.99 3.98 0.00 1.88 1.69 0.90 0.63 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 58 Q 7.70 3.92 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 59 D 8.04 4.42 0.00 2.78 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 60 R 7.85 4.41 0.00 1.61 1.61 0.00 3.28 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 61 C 7.95 4.37 0.00 3.08 2.90 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 62 R 9.08 4.74 0.00 1.89 1.77 0.00 3.30 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 63 L 8.32 4.25 0.00 1.63 1.63 0.92 1.04 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 64 N 9.23 4.44 0.00 2.81 2.97 0.00 0.00 7.25 8.26 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 65 D 8.03 4.58 0.00 2.78 2.59 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 66 E 8.72 4.94 0.00 1.97 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 2.23 2.40 0.00 67 V 9.12 4.76 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 0.69 0.00 0.00 0.97 0.00 0.00 68 V 8.41 4.79 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 1.01 0.00 0.00 0.92 0.00 0.00 69 L 9.14 5.21 0.00 1.50 1.48 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.74 4.89 0.00 1.97 1.75 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 2.17 2.20 0.00 71 G 8.35 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 72 R 8.26 5.53 0.00 1.69 1.74 0.00 3.07 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 73 L 8.83 4.55 0.00 1.63 1.55 0.99 0.86 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 74 R 9.17 4.79 0.00 1.87 1.86 0.00 3.12 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 75 I 8.14 5.25 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.61 0.92 0.00 0.00 *87 K 8.52 4.05 0.00 1.80 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 88 Q 8.42 4.77 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.93 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 89 T 8.28 4.72 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 1.31 0.00 0.00 90 E 8.75 4.95 0.00 2.18 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 0.00 2.21 2.28 0.00 91 L 8.64 4.91 0.00 1.79 1.58 0.88 0.73 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 92 T 8.84 4.83 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 1.36 0.00 0.00 93 V 8.71 4.09 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 0.84 0.00 0.00 1.00 0.00 0.00 94 T 9.21 4.54 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 1.23 0.00 0.00 95 R 7.71 4.94 0.00 1.81 1.75 0.00 3.30 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 96 V 8.21 4.83 2.04 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 0.68 0.00 0.00 0.74 0.00 0.00 97 H 9.20 4.73 0.00 3.21 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.50 4.45 0.00 3.13 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.