NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3624 8.3349 115.4278 58.0646 64.1569 172.9069 5 E 4.3228 8.7889 124.3924 53.2579 30.7776 173.7476 6 H 4.7807 8.5462 118.4482 54.8121 30.4757 173.9918 7 V 3.7039 7.6767 121.2041 62.7021 31.4608 175.0412 8 G 4.2569 8.4592 116.2256 43.5967 0.0000 170.8698 9 K 4.6929 8.1094 116.9796 55.6848 35.6110 175.4702 10 T 4.5599 8.3042 114.7426 62.0918 71.3354 173.6219 11 C 4.9279 8.6387 123.1563 57.9915 31.1047 173.0163 12 Q 4.5671 8.2919 118.7018 54.2555 31.7333 174.8938 13 I 4.5199 8.2940 122.6527 59.9018 39.1108 174.8490 14 D 4.6878 8.7915 128.0273 53.2622 41.8989 175.5477 15 V 4.8007 8.3128 124.2089 61.1453 33.2211 174.5120 16 L 4.7654 8.9142 129.9961 53.2584 44.7091 174.7742 17 I 4.8731 8.4583 126.5295 59.7095 39.4988 174.5408 18 E 4.7051 9.2985 127.4924 54.4508 32.2898 174.9172 19 E 4.6965 8.6516 123.7047 55.1158 30.8423 175.5497 20 H 4.2199 8.8793 123.6507 58.3464 29.3142 177.3356 21 D 4.8198 7.5444 119.4376 53.0420 42.7492 176.1943 22 E 4.0329 8.4673 117.0213 58.6179 30.2840 175.1787 23 R 3.9088 7.4580 122.7030 55.8310 30.7162 173.1292 24 T 4.7013 8.1227 116.4896 61.3472 69.5431 174.0777 25 R 5.1415 9.3932 128.5087 54.4535 33.5055 173.7312 26 A 5.3689 9.2415 127.4890 50.0653 22.3573 175.0623 27 K 5.0226 9.0402 120.2097 54.4655 35.5986 175.0802 28 A 4.9457 9.2021 127.5372 50.3311 21.2285 174.8227 29 R 4.7234 8.6997 123.3576 55.3358 32.0404 174.8545 30 L 5.0683 8.4165 127.6248 53.3324 44.9628 175.6518 31 S 4.7561 8.8362 122.5493 57.3922 63.4800 173.5403 32 W 4.9699 9.4265 135.0000 57.0513 33.7659 174.4503 33 A 3.3290 8.5251 128.3349 53.1833 15.5348 177.2395 34 G 3.9227 8.2283 103.9984 46.9090 0.0000 174.0177 35 R 4.6475 7.9464 115.1803 54.0057 32.2957 175.1957 36 Q 4.4250 8.3156 118.7821 54.7423 30.3943 175.2498 *38 V 3.9757 8.0371 117.6094 62.9221 32.2872 174.3901 39 G 4.0823 8.8563 115.2565 45.0875 0.0000 172.3972 40 V 4.9814 9.3484 124.9517 60.8784 33.9836 175.0059 41 G 4.3539 9.3708 114.4458 44.4664 0.0000 171.3780 42 L 5.4473 8.5017 121.2241 52.6946 45.6160 175.7028 43 A 4.7270 9.1975 124.5856 49.9977 22.4620 173.6329 44 R 4.0741 10.0172 115.8027 55.0322 27.0794 180.3428 45 L 3.4476 7.9083 128.3467 57.4892 37.6232 173.3637 46 D 5.0376 8.6204 130.5066 52.9218 41.9017 176.5433 47 P 3.9995 0.0000 0.0000 65.5262 31.4975 172.7541 48 A 3.8642 8.1552 133.8744 51.8269 15.2912 176.7525 49 D 4.6817 8.0795 119.4517 53.2192 41.7794 174.6245 50 E 4.7617 8.9133 120.0388 54.7135 31.2561 175.1193 51 P 4.0883 0.0000 0.0000 59.6623 31.8246 173.1937 52 V 3.0355 8.6904 135.0000 64.8005 30.0658 171.3866 53 A 4.1362 8.0587 134.7345 52.1529 16.4666 179.7022 54 Q 4.0017 8.2994 114.9766 57.9957 29.9156 178.1239 55 I 4.0296 7.2254 121.9174 63.8699 37.2650 178.3839 56 G 3.6551 8.0545 105.8852 47.8481 0.0000 175.2158 57 D 4.3444 7.9763 120.9940 57.2079 41.0636 178.8204 58 E 3.9493 8.4879 118.3865 59.2337 29.5346 178.8860 59 L 4.0433 8.0770 121.2722 57.7652 42.0561 178.7715 60 A 3.9878 8.0487 120.8240 55.1973 18.2637 179.6576 61 I 3.6095 8.0672 118.3793 64.4076 37.1894 178.3692 62 A 3.9847 8.0996 121.5805 55.5081 18.2054 180.0079 63 R 3.9090 8.1249 116.1991 59.1049 30.0716 179.1456 64 A 3.8920 8.3116 121.0251 55.2480 18.4321 179.7623 65 L 3.9688 8.2605 117.7788 57.7651 41.5649 179.7945 66 S 4.1293 8.1083 115.2991 61.5963 62.8008 176.1624 67 D 4.3125 8.0518 120.5640 57.3964 40.9750 178.1646 68 L 3.9004 7.9264 120.5451 57.9237 41.9971 178.5370 69 A 3.7064 8.4310 121.1174 55.3828 18.2956 179.4067 70 N 4.5720 8.5579 115.1597 56.6635 38.5718 177.7390 71 Q 4.0417 8.2836 119.5438 58.9345 28.8026 178.7554 72 L 3.9792 7.9462 120.0512 57.4241 41.5558 179.5433 73 F 4.3806 8.3199 118.1443 60.4906 38.8474 177.5631 74 A 4.1025 8.3599 120.5547 55.0063 18.0452 179.4910 75 L 4.0015 7.9678 119.0726 58.3602 42.1830 179.1869 76 T 3.9056 8.0574 115.7947 66.7224 68.4710 176.4221 77 S 4.0794 8.1358 114.8462 61.4258 62.3736 175.9129 78 S 4.1061 8.0606 115.7801 61.6598 62.0577 175.9700 79 D 4.3499 8.4702 121.6741 57.4116 40.7256 178.6231 80 I 3.7223 8.3203 120.6075 64.7449 36.6722 178.3851 81 E 4.1609 8.7856 119.3307 59.2275 29.0096 179.3214 82 A 4.0272 8.0651 120.7134 55.0424 18.5312 179.4909 83 S 4.4125 8.2649 112.4839 60.2545 63.1543 175.0992 84 T 4.4707 7.4435 112.5515 59.5584 70.7243 173.3402 85 H 4.4512 8.3524 121.9351 55.9305 29.2100 176.1931 86 Q 4.5724 8.0366 118.1009 54.8940 29.1641 172.6360 87 P 4.4480 0.0000 0.0000 63.6820 31.6805 176.8497 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 4 S 8.33 4.36 0.00 4.00 3.96 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 5 E 8.79 4.32 0.00 1.99 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 2.19 2.42 0.00 6 H 8.55 4.78 0.00 3.20 3.38 0.00 5.72 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 7 V 7.68 3.70 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 0.78 0.00 0.00 0.79 0.00 0.00 8 G 8.46 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 0.00 0.00 0.00 0.00 9 K 8.11 4.69 0.00 1.87 1.79 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.55 7.81 10 T 8.30 4.56 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 11 C 8.64 4.93 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 12 Q 8.29 4.57 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 13 I 8.29 4.52 1.85 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 1.31 0.52 0.89 0.00 0.00 14 D 8.79 4.69 0.00 2.62 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 15 V 8.31 4.80 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 0.92 0.00 0.00 16 L 8.91 4.77 0.00 1.76 1.47 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.46 4.87 1.87 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 1.35 0.66 0.94 0.00 0.00 18 E 9.30 4.71 0.00 1.88 1.79 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 2.21 2.25 0.00 19 E 8.65 4.70 0.00 1.83 1.89 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 2.22 2.32 0.00 20 H 8.88 4.22 0.00 3.19 3.31 0.00 5.66 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 21 D 7.54 4.82 0.00 2.68 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 22 E 8.47 4.03 0.00 2.07 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 0.00 2.30 2.32 0.00 23 R 7.46 3.91 0.00 1.81 2.01 0.00 3.24 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 24 T 8.12 4.70 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 1.22 0.00 0.00 25 R 9.39 5.14 0.00 1.83 1.77 0.00 3.13 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 26 A 9.24 5.37 1.20 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 27 K 9.04 5.02 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 28 A 9.20 4.95 1.20 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 29 R 8.70 4.72 0.00 1.92 1.81 0.00 3.19 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 30 L 8.42 5.07 0.00 1.61 1.48 0.97 0.76 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 31 S 8.84 4.76 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 9.43 4.97 0.00 3.27 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 33 A 8.53 3.33 1.02 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 0.00 0.00 34 G 8.23 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 35 R 7.95 4.65 0.00 1.96 2.00 0.00 2.85 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.63 0.00 36 Q 8.32 4.43 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 *38 V 8.04 3.98 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 0.78 0.00 0.00 0.94 0.00 0.00 39 G 8.86 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 0.00 0.00 0.00 40 V 9.35 4.98 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 0.80 0.00 0.00 0.94 0.00 0.00 41 G 9.37 4.35 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 0.00 42 L 8.50 5.45 0.00 1.47 1.51 0.91 0.67 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 43 A 9.20 4.73 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 44 R 10.02 4.07 0.00 1.88 1.51 0.00 3.21 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 45 L 7.91 3.45 0.00 1.70 1.97 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.62 5.04 0.00 2.69 2.70 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 47 P 0.00 4.00 0.00 2.20 2.11 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 48 A 8.16 3.86 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 49 D 8.08 4.68 0.00 2.60 2.53 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 50 E 8.91 4.76 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 2.19 2.40 0.00 51 P 0.00 4.09 0.00 2.20 1.96 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 52 V 8.69 3.04 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 0.66 0.00 0.00 0.95 0.00 0.00 53 A 8.06 4.14 1.42 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 54 Q 8.30 4.00 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 55 I 7.23 4.03 2.07 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 1.52 0.88 0.91 0.00 0.00 56 G 8.05 3.66 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 0.00 0.00 0.00 57 D 7.98 4.34 0.00 2.88 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 58 E 8.49 3.95 0.00 2.17 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 2.62 2.31 0.00 59 L 8.08 4.04 0.00 1.88 1.76 0.92 1.05 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 60 A 8.05 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 3.61 1.87 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 1.45 0.88 0.90 0.00 0.00 62 A 8.10 3.98 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 63 R 8.12 3.91 0.00 2.00 1.99 0.00 3.21 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 64 A 8.31 3.89 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.97 0.00 1.68 1.70 0.90 1.10 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 66 S 8.11 4.13 0.00 4.05 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 67 D 8.05 4.31 0.00 2.92 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 68 L 7.93 3.90 0.00 1.78 1.74 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.43 3.71 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 70 N 8.56 4.57 0.00 2.95 2.96 0.00 0.00 7.08 7.99 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 71 Q 8.28 4.04 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 72 L 7.95 3.98 0.00 1.48 1.34 0.58 0.49 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 73 F 8.32 4.38 0.00 3.23 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 74 A 8.36 4.10 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 75 L 7.97 4.00 0.00 1.96 1.88 1.05 1.11 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 76 T 8.06 3.91 4.50 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 1.28 0.00 0.00 77 S 8.14 4.08 0.00 3.95 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 78 S 8.06 4.11 0.00 4.04 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 79 D 8.47 4.35 0.00 2.95 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 80 I 8.32 3.72 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.94 0.00 0.00 81 E 8.79 4.16 0.00 2.09 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 0.00 2.63 2.50 0.00 82 A 8.07 4.03 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 83 S 8.26 4.41 0.00 4.01 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 84 T 7.44 4.47 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 1.30 0.00 0.00 85 H 8.35 4.45 0.00 3.31 3.36 0.00 5.76 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 86 Q 8.04 4.57 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 87 P 0.00 4.45 0.00 2.22 2.09 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.