NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4596 8.3193 115.3062 58.4488 63.4846 173.4790 3 T 4.0844 8.2637 114.2242 62.5927 69.9727 170.6890 4 E 4.9647 7.8703 122.8296 55.4738 31.2697 176.7209 5 Q 4.5925 8.6915 120.3419 54.7677 32.5998 173.5339 6 L 4.7587 8.4434 122.1739 53.4891 44.2799 174.5610 7 L 4.8741 8.9931 129.7725 54.0878 43.7971 175.1045 8 V 4.6378 8.8105 126.6993 60.8431 34.1325 173.9298 9 L 4.9255 8.5004 129.0842 53.4468 45.2437 175.0780 10 I 4.7917 8.8356 128.3108 60.0288 37.4683 174.7160 11 A 4.9315 8.9650 129.5167 49.9912 21.7020 176.3262 12 Q 4.6614 8.7094 119.1569 55.5483 29.9390 177.4648 13 N 4.4248 8.7524 118.4016 56.1738 38.8727 177.1880 14 D 4.4952 8.1483 117.1570 55.3820 40.1334 177.4710 15 I 4.4828 7.5515 112.6157 60.5406 37.7794 177.1060 16 K 4.1370 7.6437 122.2613 60.4739 31.9854 178.5504 17 D 4.4883 8.1104 118.4704 57.4165 40.7242 178.3534 18 D 4.3542 8.0367 119.0446 57.2168 40.8408 178.7160 19 I 3.5313 7.7357 120.5734 64.1005 37.0689 178.5331 20 V 3.5882 7.7528 119.1705 66.1462 31.1450 177.8606 21 D 4.4086 8.0767 117.8478 57.5437 40.9206 178.6394 22 T 3.9738 7.4920 116.2243 66.4795 68.4556 176.9982 23 L 3.7650 7.6540 121.2261 57.4956 41.3777 179.3940 24 I 3.9764 7.7098 111.4096 62.9416 37.5874 176.7695 25 E 4.4917 7.5335 119.1072 55.4851 30.2152 175.3040 26 L 4.0306 7.2257 119.8441 53.9070 41.3981 177.5294 27 E 3.9845 8.5309 124.6690 58.6624 29.5625 178.0570 28 F 4.6358 7.2737 111.4336 56.8695 38.6713 175.1318 29 L 4.6795 7.1295 122.2096 53.5136 42.7458 176.5430 30 S 4.5367 9.3253 116.7751 57.4399 64.0551 174.0545 31 G 4.2212 7.1571 111.3966 45.5815 0.0000 170.5260 32 F 5.2545 7.3045 114.0713 55.7752 41.0535 173.2358 33 S 5.0043 9.4414 113.5110 56.6411 66.5440 172.9202 34 L 5.0118 8.2639 119.8922 54.5903 43.0507 175.0209 35 G 4.2614 9.3180 108.5264 44.5683 0.0000 171.0414 36 N 5.3897 8.6708 118.5079 52.7320 39.4853 174.8171 37 I 4.8160 8.8765 116.1467 59.3542 41.8628 173.3849 38 C 5.0635 8.8707 123.7567 58.2259 32.8545 172.8427 39 G 4.5123 10.0739 114.2299 44.6797 0.0000 172.0266 40 F 5.5083 9.0007 122.9078 55.8248 41.9435 174.6712 41 S 4.7050 7.9278 114.5402 58.5694 65.6304 175.8860 42 R 4.8144 8.3748 116.5313 54.2239 31.4953 175.1593 *54 E 4.4301 8.4933 118.9143 56.4404 30.8067 175.4762 55 G 4.2626 9.0459 110.0395 43.9766 0.0000 170.9216 56 Y 5.0522 7.5192 117.9599 54.9435 41.8533 173.4387 57 R 4.2547 8.0617 118.1128 56.5548 35.1976 171.4404 58 E 5.1090 8.4886 120.5912 54.6132 31.3346 175.0112 59 F 5.0650 9.4671 124.5519 55.9654 44.2595 172.7644 60 C 5.0075 9.3960 120.2798 57.7347 33.6069 172.1830 61 K 4.9247 9.4653 129.0723 54.9479 33.8368 174.6113 62 F 5.2534 9.0031 126.8536 56.1597 41.4105 174.9297 63 E 5.2058 9.5264 122.0851 54.8961 32.9721 175.0963 64 I 5.1993 8.8949 124.9809 59.6024 42.2238 173.8216 *66 H 4.9690 8.4682 116.9413 54.9769 30.2054 171.3144 67 P 4.6950 0.0000 0.0000 62.2266 32.1914 177.5837 68 A 3.9236 9.5831 126.7397 55.2776 18.4229 179.6880 69 A 4.0715 7.9311 117.1086 54.3926 18.8434 177.9867 70 Q 4.2288 8.0068 114.2609 55.4792 29.5330 177.1463 71 Q 3.8995 8.0117 121.0998 59.2708 28.9125 178.5148 72 A 3.8674 7.8540 120.7308 55.2184 18.5277 178.9813 73 A 3.9425 7.9392 118.7619 55.4969 18.2797 179.5309 74 L 4.0357 7.8819 118.4779 58.3214 42.1414 179.1688 75 L 3.8570 8.0620 119.3686 57.6962 41.3542 179.5003 76 T 3.8033 8.1505 109.3140 64.5487 68.6231 176.3299 77 A 4.0734 7.7828 123.2995 55.0203 18.4284 179.6561 78 L 3.8280 7.8629 117.2817 57.5319 41.2431 179.4089 79 A 4.0184 8.1264 120.8931 54.6129 18.1494 179.6672 80 L 3.8416 7.5180 117.7138 57.9049 41.5931 179.7166 81 V 3.7906 7.5317 110.7917 63.3812 31.7769 177.2944 82 C 4.5425 7.3083 115.2947 59.1550 27.9704 175.2347 83 K 3.9196 7.1421 123.6259 59.4668 31.7552 176.7533 84 H 4.8796 8.1181 110.8488 55.5038 29.9632 174.0465 85 N 4.9312 7.9553 116.9149 49.9254 39.2035 171.6934 86 P 4.3779 0.0000 0.0000 62.9055 32.2220 175.7338 87 C 5.0522 8.3604 118.7475 57.8140 31.2151 174.2754 88 R 4.4418 8.6721 123.0536 56.7190 31.0170 175.1130 89 Y 5.2234 8.3176 119.1810 55.9505 41.3000 173.5711 90 W 5.2043 8.9592 116.3494 55.5258 31.9718 173.3705 91 I 5.8486 8.6315 120.8743 57.9661 40.5743 172.9871 *93 P 4.1922 0.0000 0.0000 62.7203 32.0988 175.8702 94 I 4.5046 8.0207 119.9642 59.8623 39.6748 175.5000 95 Y 4.6175 8.7346 123.2912 60.8470 38.2220 175.7008 96 Q 4.6922 7.7969 117.1727 55.1185 31.9494 172.4290 97 N 5.1043 8.1008 119.3973 51.1925 40.8269 175.0909 98 G 4.0518 7.5904 104.3605 46.7106 0.0000 172.0181 99 T 4.5762 8.1454 118.1292 62.0092 72.2379 173.2665 100 L 4.4609 8.4154 126.8336 54.0404 42.9658 176.9362 101 S 4.2632 8.3482 116.0185 59.1405 62.2665 175.3618 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 S 8.32 4.46 0.00 4.04 4.19 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 3 T 8.26 4.08 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 1.22 0.00 0.00 4 E 7.87 4.96 0.00 1.92 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 2.31 2.42 0.00 5 Q 8.69 4.59 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 6 L 8.44 4.76 0.00 1.81 1.61 1.00 0.48 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 7 L 8.99 4.87 0.00 1.81 1.65 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.81 4.64 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.82 0.00 0.00 9 L 8.50 4.93 0.00 1.65 1.40 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.84 4.79 1.75 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 1.03 1.13 0.49 0.00 0.00 11 A 8.97 4.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.66 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 13 N 8.75 4.42 0.00 2.72 2.88 0.00 0.00 6.76 8.08 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 14 D 8.15 4.50 0.00 2.77 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 15 I 7.55 4.48 1.87 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 1.54 0.88 1.01 0.00 0.00 16 K 7.64 4.14 0.00 2.06 2.08 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.71 7.81 17 D 8.11 4.49 0.00 2.84 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 18 D 8.04 4.35 0.00 2.82 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 19 I 7.74 3.53 1.62 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 -0.19 0.00 0.00 20 V 7.75 3.59 2.35 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 1.25 0.00 0.00 1.38 0.00 0.00 21 D 8.08 4.41 0.00 2.84 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 22 T 7.49 3.97 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 1.07 0.00 0.00 23 L 7.65 3.77 0.00 1.16 1.07 -0.31 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.71 3.98 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.55 1.13 0.00 0.00 25 E 7.53 4.49 0.00 2.10 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 2.22 2.33 0.00 26 L 7.23 4.03 0.00 1.43 0.44 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.53 3.98 0.00 1.96 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 0.00 2.30 2.27 0.00 28 F 7.27 4.64 0.00 3.10 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 29 L 7.13 4.68 0.00 1.67 1.66 0.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.33 4.54 0.00 3.99 4.01 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 31 G 7.16 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 0.00 0.00 0.00 32 F 7.30 5.25 0.00 3.27 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 33 S 9.44 5.00 0.00 3.85 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 34 L 8.26 5.01 0.00 0.83 1.19 0.73 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.32 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 36 N 8.67 5.39 0.00 2.63 3.01 0.00 0.00 6.70 7.45 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 37 I 8.88 4.82 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.98 0.00 0.00 38 C 8.87 5.06 0.00 3.07 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 39 G 10.07 4.51 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 0.00 0.00 0.00 40 F 9.00 5.51 0.00 2.88 3.33 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 41 S 7.93 4.70 0.00 3.99 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 42 R 8.37 4.81 0.00 1.93 1.96 0.00 3.08 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 *54 E 8.49 4.43 0.00 2.13 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 0.00 2.33 2.39 0.00 55 G 9.05 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 56 Y 7.52 5.05 0.00 1.63 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.06 4.25 0.00 1.65 1.61 0.00 2.69 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 58 E 8.49 5.11 0.00 1.94 1.69 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 2.18 2.36 0.00 59 F 9.47 5.07 0.00 3.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 9.40 5.01 0.00 3.17 3.02 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 61 K 9.47 4.92 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 62 F 9.00 5.25 0.00 2.97 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 63 E 9.53 5.21 0.00 1.90 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 2.20 2.27 0.00 64 I 8.89 5.20 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.93 0.00 0.00 *66 H 8.47 4.97 0.00 3.42 3.62 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.69 0.00 2.15 2.01 0.00 3.75 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 2.13 2.14 0.00 68 A 9.58 3.92 1.27 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 0.00 0.00 69 A 7.93 4.07 1.23 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 0.00 0.00 0.00 70 Q 8.01 4.23 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.71 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 71 Q 8.01 3.90 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 72 A 7.85 3.87 1.27 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 0.00 0.00 73 A 7.94 3.94 1.27 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 0.00 0.00 74 L 7.88 4.04 0.00 2.01 1.83 0.86 0.22 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 75 L 8.06 3.86 0.00 1.59 1.45 0.82 0.12 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 76 T 8.15 3.80 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 1.18 0.00 0.00 77 A 7.78 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.83 0.00 1.53 1.53 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.13 4.02 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 80 L 7.52 3.84 0.00 1.87 1.68 0.89 0.74 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 81 V 7.53 3.79 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 0.70 0.00 0.00 0.85 0.00 0.00 82 C 7.31 4.54 0.00 2.74 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 83 K 7.14 3.92 0.00 1.90 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.37 7.81 84 H 8.12 4.88 0.00 3.14 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.96 4.93 0.00 2.68 2.76 0.00 0.00 6.94 7.29 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 86 P 0.00 4.38 0.00 2.08 2.03 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 87 C 8.36 5.05 0.00 2.80 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 88 R 8.67 4.44 0.00 1.81 2.06 0.00 3.16 0.00 0.00 3.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 89 Y 8.32 5.22 0.00 2.95 2.78 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 90 W 8.96 5.20 0.00 3.30 3.20 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 91 I 8.63 5.85 2.00 0.00 0.00 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 1.21 1.52 1.01 0.00 0.00 *93 P 0.00 4.19 0.00 2.15 2.09 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 94 I 8.02 4.50 2.10 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 1.43 0.98 1.00 0.00 0.00 95 Y 8.73 4.62 0.00 3.00 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 96 Q 7.80 4.69 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 97 N 8.10 5.10 0.00 2.85 2.76 0.00 0.00 5.93 7.00 0.00 0.00 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 G 7.59 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 99 T 8.15 4.58 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 1.22 0.00 0.00 100 L 8.42 4.46 0.00 1.64 1.59 0.93 0.90 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 0.00 101 S 8.35 4.26 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.