NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.8315 8.0033 118.3305 57.7398 40.3082 176.7104 7 T 3.8069 7.7853 118.0229 65.9873 68.4860 173.2204 8 E 3.9887 8.8872 121.5321 59.4795 30.0371 178.5939 9 N 4.4189 8.1328 116.0843 56.0711 38.6075 177.0782 10 L 3.9457 8.1315 121.9524 58.0511 42.1773 179.2120 11 K 3.9931 8.0704 118.5569 59.3414 31.9019 179.5463 12 V 3.6042 7.6823 118.1171 66.0550 31.4952 178.2347 13 I 3.7006 7.9093 119.7751 64.1789 36.8249 178.6514 14 V 3.4748 8.2389 119.3775 65.9133 31.3675 177.6985 15 A 3.9220 7.9836 120.4980 55.4857 17.9039 179.5006 16 E 3.8630 8.1055 115.9239 59.2206 29.7985 179.2546 17 K 4.0054 7.9178 119.5666 59.5432 32.3232 178.7533 18 L 3.4521 8.0294 119.3852 57.6837 41.2589 179.4154 19 A 4.1614 7.9826 119.3855 54.1074 18.3455 178.7737 20 G 3.9616 7.5214 102.2480 43.7218 0.0000 173.6750 21 I 4.1163 7.1952 123.7946 59.4267 37.6073 173.8324 22 P 4.3550 0.0000 0.0000 63.9046 31.6821 175.9986 23 N 4.2378 8.8709 117.8046 54.0176 35.7898 173.8838 24 F 4.2834 8.0335 121.6588 57.6967 39.0394 174.9710 25 N 4.6336 7.9901 124.9958 52.7756 38.1213 174.9030 26 E 4.1442 6.5791 118.4497 55.0290 30.9371 175.8873 27 D 4.4760 8.4189 119.1515 54.4334 41.8141 176.7310 28 I 3.8267 8.4428 129.1072 64.3655 37.3037 178.2456 29 K 3.9832 8.1575 120.0635 59.5588 32.0100 178.1378 30 Y 4.1546 8.4754 119.8064 60.7629 38.7586 177.7450 31 V 3.4590 8.1251 119.0777 66.0433 31.5740 177.7694 32 A 3.9596 8.3934 120.7333 55.2764 18.1911 179.4963 33 E 3.8991 8.3162 117.1161 59.5765 29.5251 179.0291 34 Y 3.6500 8.1052 119.9265 60.5214 38.8811 177.8075 35 I 3.7376 8.1446 121.2153 64.6327 37.1765 178.6562 36 V 3.5135 7.8359 118.8800 65.5487 30.9310 177.6877 37 L 3.8258 7.9209 120.3302 58.2143 42.0073 179.1004 38 L 3.9422 7.8049 118.7419 57.6306 41.4424 179.6686 39 I 3.5842 7.6961 119.6912 64.3540 36.9561 178.6223 40 V 3.5038 7.7464 118.2075 65.7721 31.4076 176.2138 41 N 4.6324 7.7026 114.8216 53.2856 38.2893 175.5109 42 G 4.0808 8.3523 107.0728 45.2371 0.0000 174.6139 43 G 3.8265 7.6714 107.8651 45.3547 0.0000 174.8145 44 T 4.2725 8.1441 112.0947 60.3589 71.3544 176.2605 45 V 3.6871 7.9775 120.8038 66.2129 31.4514 177.7064 46 E 4.0155 8.1936 116.9549 59.7022 29.3181 179.1515 47 S 4.2359 8.1640 115.4876 60.9195 63.0733 176.6854 48 V 3.6697 8.0662 121.9289 65.6683 31.2555 178.2384 49 V 3.6490 8.0149 117.9951 66.0977 31.4342 177.3399 50 D 4.4441 8.5043 119.1876 57.7387 40.4797 178.9240 51 E 3.9807 8.2390 119.2700 59.3067 29.6788 178.7974 52 L 4.1297 8.1952 118.8845 57.8308 41.4901 179.3236 53 A 4.1254 8.3087 120.4295 55.1628 18.3553 179.5792 54 S 4.1609 7.9545 111.9775 61.1208 63.1301 176.0708 55 L 4.1197 7.1153 121.1826 54.7592 41.8670 176.4379 56 F 4.7079 7.6970 116.2271 55.6817 40.4618 174.1331 57 D 4.6424 8.6234 124.4477 53.8853 39.8537 177.5244 58 S 4.3966 7.9424 113.7153 58.9299 63.7877 173.9397 59 V 4.4367 7.4164 121.1362 60.3704 33.8611 175.7088 60 S 4.3815 8.5171 121.8989 58.2616 65.0334 175.2823 61 R 3.8949 8.5235 122.9551 59.5054 29.9079 178.2853 62 D 4.3220 8.1133 117.4463 57.8073 41.3005 178.3191 63 T 3.9123 8.0475 116.0692 66.5925 68.4431 176.6558 64 L 4.0327 8.3530 120.9972 57.7405 41.6291 179.3450 65 A 4.0504 8.5589 121.0670 55.1974 18.2998 179.0647 66 N 4.2168 8.2238 115.4748 56.8458 39.0054 177.2529 67 V 3.5268 7.8369 119.4472 65.9377 31.6429 178.0865 68 V 3.6370 8.2645 118.3190 66.1960 31.4393 177.6466 69 Q 4.1606 8.5283 118.1738 59.7649 28.6497 179.5883 70 T 3.9487 8.2021 116.1647 66.3199 68.4176 176.7115 71 A 3.9381 8.2050 122.7514 55.3471 18.4801 179.7611 72 F 4.1019 8.4954 116.3783 60.4768 38.8886 177.6299 73 F 3.8635 8.6207 120.1321 61.3504 39.2322 176.9890 74 A 4.0424 8.7259 120.6666 55.0273 18.1338 179.2354 75 L 3.7410 8.0154 118.7781 58.2766 42.1549 178.8480 76 E 4.0072 8.2823 120.1944 58.5691 29.5389 178.4929 77 A 3.8140 7.8955 120.8185 55.1145 18.3682 179.3343 78 L 3.8620 8.0419 117.7485 58.3084 41.7616 179.9212 79 Q 3.6669 7.5643 117.4112 58.6701 28.3663 178.2190 80 Q 4.4090 7.5515 116.4956 56.0205 29.0760 176.6280 81 G 4.0152 7.8919 109.0716 44.8453 0.0000 173.7085 82 E 4.0656 7.7296 120.6995 55.7130 30.5423 177.1900 83 S 4.4250 8.4720 120.0948 57.8779 65.3280 175.1944 84 A 4.0202 8.6387 126.3063 55.3566 18.1605 179.7180 85 E 3.9087 8.2437 116.5325 59.9423 29.6459 179.2506 86 N 4.3953 8.1188 116.1421 56.3629 38.5525 177.6539 87 I 3.7093 7.6753 120.7327 64.2765 37.1549 178.4573 88 V 3.5665 8.0838 119.4732 66.3512 31.3340 178.1835 89 S 4.1119 8.5207 115.0700 61.5336 62.4759 176.9699 90 K 3.9862 8.0265 121.0581 59.5157 31.5938 179.5208 91 I 3.7042 7.5100 118.8964 64.4637 37.0907 178.4653 92 R 4.0515 8.0327 118.0719 59.2374 29.9220 178.5007 93 M 4.1767 7.8757 117.7215 58.9947 32.1793 178.7042 94 M 4.1007 7.6560 118.8625 58.4395 32.1044 176.9490 *95 N 4.5420 8.0556 120.1947 52.3955 38.5706 179.2574 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 6 Y 8.00 4.83 0.00 3.04 2.98 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 7 T 7.79 3.81 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 1.19 0.00 0.00 8 E 8.89 3.99 0.00 1.98 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 2.39 2.33 0.00 9 N 8.13 4.42 0.00 2.82 2.91 0.00 0.00 6.75 6.74 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 10 L 8.13 3.95 0.00 1.90 1.76 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.07 3.99 0.00 2.03 1.83 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.61 7.81 12 V 7.68 3.60 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 1.10 0.00 0.00 0.99 0.00 0.00 13 I 7.91 3.70 1.99 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 1.41 0.80 0.91 0.00 0.00 14 V 8.24 3.47 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 1.03 0.00 0.00 0.95 0.00 0.00 15 A 7.98 3.92 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 16 E 8.11 3.86 0.00 2.08 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 2.58 2.44 0.00 17 K 7.92 4.01 0.00 1.84 1.91 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.42 7.81 18 L 8.03 3.45 0.00 1.57 0.98 0.76 0.35 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 19 A 7.98 4.16 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 20 G 7.52 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 0.00 0.00 0.00 21 I 7.20 4.12 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 1.03 0.00 0.00 22 P 0.00 4.36 0.00 2.06 2.00 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 23 N 8.87 4.24 0.00 2.90 2.96 0.00 0.00 6.95 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 24 F 8.03 4.28 0.00 3.00 2.98 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 25 N 7.99 4.63 0.00 2.79 2.80 0.00 0.00 6.30 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 26 E 6.58 4.14 0.00 1.32 1.67 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 0.00 1.74 1.64 0.00 27 D 8.42 4.48 0.00 2.75 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 28 I 8.44 3.83 1.92 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 1.50 0.85 0.91 0.00 0.00 29 K 8.16 3.98 0.00 1.87 2.02 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.53 7.81 30 Y 8.48 4.15 0.00 3.16 3.19 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 31 V 8.13 3.46 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 0.87 0.00 0.00 0.47 0.00 0.00 32 A 8.39 3.96 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 33 E 8.32 3.90 0.00 2.13 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 0.00 2.37 2.56 0.00 34 Y 8.11 3.65 0.00 2.75 2.94 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 35 I 8.14 3.74 1.97 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 1.48 0.96 0.85 0.00 0.00 36 V 7.84 3.51 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 1.03 0.00 0.00 0.94 0.00 0.00 37 L 7.92 3.83 0.00 1.70 1.57 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.80 3.94 0.00 1.90 1.72 1.19 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.70 3.58 1.59 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.42 0.41 0.00 0.00 40 V 7.75 3.50 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 0.73 0.00 0.00 0.92 0.00 0.00 41 N 7.70 4.63 0.00 2.86 2.80 0.00 0.00 7.31 7.32 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 42 G 8.35 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 43 G 7.67 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.14 4.27 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 1.21 0.00 0.00 45 V 7.98 3.69 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 1.11 0.00 0.00 0.47 0.00 0.00 46 E 8.19 4.02 0.00 2.22 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 2.37 2.33 0.00 47 S 8.16 4.24 0.00 4.14 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 48 V 8.07 3.67 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 1.07 0.00 0.00 1.17 0.00 0.00 49 V 8.01 3.65 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 1.12 0.00 0.00 1.09 0.00 0.00 50 D 8.50 4.44 0.00 2.95 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 51 E 8.24 3.98 0.00 2.20 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 0.00 2.62 2.61 0.00 52 L 8.20 4.13 0.00 2.03 1.94 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.31 4.13 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 54 S 7.95 4.16 0.00 4.03 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 55 L 7.12 4.12 0.00 1.00 0.13 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.70 4.71 0.00 3.04 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 57 D 8.62 4.64 0.00 2.77 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 58 S 7.94 4.40 0.00 3.91 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 59 V 7.42 4.44 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 1.06 0.00 0.00 0.87 0.00 0.00 60 S 8.52 4.38 0.00 4.11 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 61 R 8.52 3.89 0.00 1.93 1.99 0.00 3.21 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 62 D 8.11 4.32 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 63 T 8.05 3.91 4.43 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 1.26 0.00 0.00 64 L 8.35 4.03 0.00 1.87 1.80 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.56 4.05 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 66 N 8.22 4.22 0.00 2.82 2.99 0.00 0.00 6.88 7.16 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 67 V 7.84 3.53 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 0.88 0.00 0.00 0.90 0.00 0.00 68 V 8.26 3.64 2.25 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 1.26 0.00 0.00 1.07 0.00 0.00 69 Q 8.53 4.16 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 70 T 8.20 3.95 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 1.21 0.00 0.00 71 A 8.20 3.94 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 72 F 8.50 4.10 0.00 3.10 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 73 F 8.62 3.86 0.00 3.42 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 74 A 8.73 4.04 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 75 L 8.02 3.74 0.00 1.78 1.84 0.89 0.69 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 76 E 8.28 4.01 0.00 2.01 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 2.09 2.00 0.00 77 A 7.90 3.81 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 78 L 8.04 3.86 0.00 1.34 0.93 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.56 3.67 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 80 Q 7.55 4.41 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.54 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 81 G 7.89 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 0.00 0.00 0.00 82 E 7.73 4.07 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 2.33 2.29 0.00 83 S 8.47 4.42 0.00 4.11 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 84 A 8.64 4.02 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 85 E 8.24 3.91 0.00 2.03 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 2.41 2.43 0.00 86 N 8.12 4.40 0.00 2.95 2.88 0.00 0.00 7.12 7.39 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 87 I 7.68 3.71 2.01 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 1.44 0.77 0.93 0.00 0.00 88 V 8.08 3.57 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 1.11 0.00 0.00 0.95 0.00 0.00 89 S 8.52 4.11 0.00 3.97 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 90 K 8.03 3.99 0.00 2.03 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 91 I 7.51 3.70 1.98 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 1.49 0.45 0.85 0.00 0.00 92 R 8.03 4.05 0.00 1.89 1.98 0.00 3.18 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 1.65 1.76 0.00 93 M 7.88 4.18 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.92 0.00 94 M 7.66 4.10 0.00 1.90 2.23 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.52 0.00 *95 N 8.06 4.54 0.00 2.49 2.63 0.00 0.00 6.54 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 * Residues marked with a * may have inaccurate shift predictions.