NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4383 0.0000 0.0000 62.6853 33.6661 178.6841 5 R 3.8380 7.7910 116.7067 57.9299 29.8831 173.8104 6 V 3.6118 7.9197 118.3357 65.7298 31.9753 177.3524 7 R 3.8619 7.9972 118.0705 59.6575 29.8342 178.0277 8 Q 3.9446 7.7729 118.6064 59.1580 29.0066 178.3188 9 I 3.6243 7.6100 120.7449 64.1954 37.1308 178.2539 10 K 3.9079 8.1537 120.3854 59.5319 32.0192 178.7448 11 I 3.6733 7.8681 120.0127 64.5749 37.1196 178.6880 12 K 3.9820 8.2776 119.2629 59.6673 31.7263 179.6644 13 T 3.9958 8.1448 116.4498 66.4308 68.3490 177.0553 14 G 3.6010 8.2358 107.8889 47.6445 0.0000 175.9693 15 V 3.5744 7.8785 120.5732 65.7964 31.5065 178.3024 16 V 3.6140 7.7261 117.9397 66.0698 31.4119 178.0044 17 R 3.9174 8.1388 117.8408 59.5382 29.9567 179.2833 18 R 3.9266 7.9895 117.6329 59.3034 30.0774 179.2046 19 L 4.0722 8.0977 118.7816 57.5140 41.5202 179.7812 20 V 3.6016 8.0733 118.6974 65.9445 31.2751 178.3228 21 K 3.9627 7.7674 117.0622 59.3831 31.9276 178.9059 22 E 3.8142 7.9622 118.0512 59.1678 29.5686 179.0391 23 R 4.1806 7.9986 118.7055 59.3806 30.0558 179.3699 24 V 3.7170 7.6217 114.5488 64.1339 31.4040 176.9016 *26 Y 4.8624 7.7964 116.1877 57.8289 39.8557 177.3274 27 E 4.0423 8.5745 119.4566 59.1806 29.4688 179.4094 28 K 3.9074 8.3707 119.9262 59.4496 32.3221 178.4451 29 E 3.9259 8.2044 118.8581 59.3444 29.5502 178.5000 30 A 3.9998 8.4957 121.2209 54.8864 18.4423 179.4595 31 K 3.8374 8.3083 118.4070 59.7282 32.3958 178.7965 32 Q 3.9498 8.1449 119.7653 59.3356 29.0218 178.0501 33 Q 4.0011 8.1331 120.6295 58.9819 29.0394 177.6365 34 E 3.9733 8.5471 120.8828 59.1322 29.5547 178.6264 35 E 3.9900 8.2776 118.8509 59.2090 29.2814 179.2033 36 K 3.9347 7.7078 118.2877 59.4774 32.3154 178.7110 37 I 3.8613 7.5539 119.1884 64.4194 37.3542 177.8745 38 E 4.1760 8.5862 119.8630 59.2054 28.7414 180.2322 39 K 4.2823 8.1651 116.2508 57.0870 31.9618 179.0594 *41 R 4.1576 8.3176 119.9301 56.2799 31.9457 177.5858 42 A 4.1142 7.7935 118.9179 54.0379 18.0344 177.5302 43 E 4.3263 7.0785 115.3406 56.8169 30.3661 176.7462 44 D 4.9167 7.7903 118.2779 52.6935 40.6173 178.4102 45 G 4.0282 7.9434 108.9467 46.9027 0.0000 174.1319 46 E 4.0811 8.6343 123.6697 55.8053 28.8286 175.6923 47 N 5.0702 8.1153 122.8720 50.5481 43.4088 174.8401 48 Y 4.1386 8.8636 118.6818 61.7098 38.2671 178.0540 49 D 4.2922 8.3930 118.5317 57.1392 40.7783 178.8341 50 I 3.7974 7.8618 120.6301 63.7991 36.9615 178.2971 51 K 3.7836 7.8555 119.6973 59.3130 32.0209 179.0405 52 K 3.8020 7.6619 119.0801 59.7683 32.0834 178.6795 53 Q 4.0678 7.7027 116.6510 58.7947 28.4614 178.6251 54 A 3.9554 8.3351 122.3891 54.9986 18.1460 179.5258 55 E 3.8711 7.8918 116.3182 59.6342 29.5283 179.3353 56 I 4.0977 7.5424 120.7122 63.6596 37.0865 178.1870 57 L 3.9599 8.1293 121.3595 58.4621 41.5529 179.0374 58 Q 3.9407 8.3345 118.0446 59.0248 28.6945 178.5941 59 E 3.7266 7.9224 119.5665 58.5800 29.1755 178.8033 60 S 4.3932 7.2400 111.0861 59.7244 64.4054 174.5989 61 R 3.8858 7.6883 124.5118 56.2899 28.3744 175.5387 *64 I 4.2600 8.1030 123.9422 60.5369 39.5400 176.4320 65 P 4.2039 0.0000 0.0000 65.7359 30.9967 178.1378 66 D 4.3208 7.9733 116.1603 57.5100 41.1533 177.8465 67 C 4.1883 8.0212 116.7556 62.9839 28.1430 175.9710 68 Q 3.9923 8.3599 119.7736 58.9251 28.2806 179.0572 69 R 3.9066 8.0598 119.0197 59.3670 30.1220 179.3358 70 R 3.9369 8.2496 118.0690 59.1085 29.9812 178.8854 71 L 3.9628 8.1508 120.2434 58.1888 42.0398 178.5912 72 E 3.9078 8.4527 119.1918 59.1937 29.4889 178.6950 73 A 3.9863 8.1500 120.5920 55.2318 18.5072 179.5574 74 A 3.9587 8.2633 119.4114 55.1469 18.2924 179.3379 75 Y 3.9137 8.4300 118.5493 60.9987 38.9334 178.1949 76 L 3.9592 8.4229 120.2105 57.6504 41.6697 179.0996 77 D 4.2413 8.2833 118.1059 57.3469 41.2526 178.1115 78 L 3.8482 7.9190 120.8628 58.0383 42.0312 178.6242 79 Q 3.7085 8.0390 119.8530 58.9917 28.8962 178.3062 80 R 3.8341 8.0726 119.8097 59.4084 29.9218 178.5072 81 I 3.6691 7.5370 118.4250 64.4676 37.1315 178.1181 82 L 3.8945 7.8436 119.7184 57.7834 41.1223 179.4976 83 E 4.0588 8.0612 117.6669 58.6291 29.4734 177.8011 84 N 4.7840 7.9626 114.5349 53.3108 40.1359 174.3075 85 E 4.9083 8.0018 118.4781 56.1093 30.8121 177.2819 86 K 4.0091 8.1948 121.2319 59.0840 32.7595 177.5328 87 D 4.4879 8.0843 116.5909 55.0401 39.6776 176.5510 88 L 4.5087 7.8991 119.8114 54.1408 42.1800 177.6977 89 E 2.0000 7.1193 118.0468 58.2520 29.1277 177.9302 90 E 4.1475 7.6889 116.4590 56.8744 30.4640 176.9341 91 A 4.1648 8.0185 122.8334 51.5161 20.1719 177.7546 92 E 3.9217 8.8517 124.1957 59.5052 29.6898 179.3409 93 E 3.9707 8.2043 117.0778 59.4792 29.6311 178.4397 94 Y 3.9069 7.8841 119.9701 60.5737 39.0529 177.8898 95 K 4.1948 8.3393 119.4737 59.3968 32.0794 179.3097 96 E 3.9602 8.6282 119.1359 59.3053 29.3744 179.1094 97 A 3.9200 8.2584 121.1503 55.2069 18.4346 179.6189 98 R 3.7292 7.9795 117.1463 59.3761 29.8844 178.4966 99 L 3.9614 7.5410 118.8567 58.0592 42.4716 178.8501 100 V 3.7409 7.7678 118.1681 65.9630 31.6312 177.8569 101 L 4.0704 7.9980 118.7530 58.1904 41.5196 179.3622 102 D 4.5737 8.2873 118.0400 56.8919 40.5186 178.7167 103 S 4.3013 7.7620 114.8715 60.7715 62.9058 176.3737 104 V 3.7711 7.4632 120.4862 65.7147 31.3930 177.8674 105 K 4.0106 8.0009 116.6636 59.2797 32.1294 176.5764 106 L 4.1219 7.7066 123.9708 55.3056 41.9810 176.2625 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 P 0.00 4.44 0.00 2.20 2.16 0.00 3.57 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 2.01 2.12 0.00 5 R 7.79 3.84 0.00 1.96 2.17 0.00 3.14 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 6 V 7.92 3.61 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 1.05 0.00 0.00 0.96 0.00 0.00 7 R 8.00 3.86 0.00 1.96 2.10 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 8 Q 7.77 3.94 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 9 I 7.61 3.62 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.98 0.89 0.00 0.00 10 K 8.15 3.91 0.00 1.87 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 11 I 7.87 3.67 1.99 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 1.72 0.70 0.91 0.00 0.00 12 K 8.28 3.98 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 13 T 8.14 4.00 4.36 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 1.19 0.00 0.00 14 G 8.24 3.60 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 0.00 0.00 0.00 15 V 7.88 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 0.99 0.00 0.00 1.01 0.00 0.00 16 V 7.73 3.61 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 1.11 0.00 0.00 1.02 0.00 0.00 17 R 8.14 3.92 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 18 R 7.99 3.93 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 19 L 8.10 4.07 0.00 1.86 1.74 0.95 0.62 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 20 V 8.07 3.60 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 1.03 0.00 0.00 1.02 0.00 0.00 21 K 7.77 3.96 0.00 1.88 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.60 7.81 22 E 7.96 3.81 0.00 2.08 1.93 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 2.24 2.54 0.00 23 R 8.00 4.18 0.00 2.01 2.13 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 24 V 7.62 3.72 2.20 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 1.04 0.00 0.00 0.95 0.00 0.00 *26 Y 7.80 4.86 0.00 3.14 2.91 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 0.00 0.00 0.00 27 E 8.57 4.04 0.00 2.10 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 0.00 2.37 2.52 0.00 28 K 8.37 3.91 0.00 1.90 1.81 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 29 E 8.20 3.93 0.00 2.12 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 0.00 2.41 2.41 0.00 30 A 8.50 4.00 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 31 K 8.31 3.84 0.00 1.94 2.03 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.45 7.81 32 Q 8.14 3.95 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 33 Q 8.13 4.00 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 34 E 8.55 3.97 0.00 2.13 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 0.00 2.30 2.56 0.00 35 E 8.28 3.99 0.00 2.25 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 2.33 2.46 0.00 36 K 7.71 3.93 0.00 1.77 2.02 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 37 I 7.55 3.86 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 1.50 0.80 0.90 0.00 0.00 38 E 8.59 4.18 0.00 2.13 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 2.68 0.00 39 K 8.17 4.28 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.74 7.81 *41 R 8.32 4.16 0.00 1.89 2.02 0.00 3.40 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 42 A 7.79 4.11 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 43 E 7.08 4.33 0.00 1.86 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 2.29 2.46 0.00 44 D 7.79 4.92 0.00 2.76 2.71 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 0.00 0.00 0.00 0.00 45 G 7.94 4.03 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 0.00 0.00 0.00 46 E 8.63 4.08 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 2.29 2.39 0.00 47 N 8.12 5.07 0.00 2.76 2.73 0.00 0.00 6.62 7.48 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 48 Y 8.86 4.14 0.00 3.08 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 49 D 8.39 4.29 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.80 1.95 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 1.59 0.96 0.87 0.00 0.00 51 K 7.86 3.78 0.00 1.57 1.66 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 52 K 7.66 3.80 0.00 1.70 1.84 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 53 Q 7.70 4.07 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 54 A 8.34 3.96 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 55 E 7.89 3.87 0.00 2.14 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 2.45 0.00 56 I 7.54 4.10 2.01 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 1.38 1.40 0.91 0.00 0.00 57 L 8.13 3.96 0.00 1.73 1.81 0.92 1.25 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 58 Q 8.33 3.94 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 59 E 7.92 3.73 0.00 2.14 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 0.00 2.33 2.64 0.00 60 S 7.24 4.39 0.00 4.07 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 0.00 61 R 7.69 3.89 0.00 1.77 1.90 0.00 3.28 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 *64 I 8.10 4.26 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.92 0.00 0.00 65 P 0.00 4.20 0.00 2.12 2.08 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 66 D 7.97 4.32 0.00 2.75 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 67 C 8.02 4.19 0.00 3.26 3.08 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 68 Q 8.36 3.99 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 69 R 8.06 3.91 0.00 2.04 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 70 R 8.25 3.94 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 71 L 8.15 3.96 0.00 1.84 1.82 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.45 3.91 0.00 2.18 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 2.40 0.00 73 A 8.15 3.99 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 74 A 8.26 3.96 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 Y 8.43 3.91 0.00 3.06 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 76 L 8.42 3.96 0.00 1.78 1.75 1.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.28 4.24 0.00 2.88 2.79 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 0.00 0.00 0.00 78 L 7.92 3.85 0.00 1.78 1.68 0.79 0.52 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 79 Q 8.04 3.71 0.00 1.71 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.17 0.00 80 R 8.07 3.83 0.00 1.96 2.04 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 81 I 7.54 3.67 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.50 0.90 0.00 0.00 82 L 7.84 3.89 0.00 1.58 1.16 0.50 0.11 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 83 E 8.06 4.06 0.00 2.09 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 0.00 2.35 2.38 0.00 84 N 7.96 4.78 0.00 2.80 2.81 0.00 0.00 6.98 7.21 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 85 E 8.00 4.91 0.00 2.25 1.94 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 2.25 2.24 0.00 86 K 8.19 4.01 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.45 7.81 87 D 8.08 4.49 0.00 2.80 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 88 L 7.90 4.51 0.00 1.97 1.77 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.12 2.00 0.00 1.63 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 2.20 2.09 0.00 90 E 7.69 4.15 0.00 1.89 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 2.17 2.18 0.00 91 A 8.02 4.16 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 92 E 8.85 3.92 0.00 2.10 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 2.39 2.46 0.00 93 E 8.20 3.97 0.00 2.22 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 0.00 2.42 2.34 0.00 94 Y 7.88 3.91 0.00 3.07 3.08 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 95 K 8.34 4.19 0.00 2.04 1.90 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.70 7.81 96 E 8.63 3.96 0.00 2.16 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 2.48 0.00 97 A 8.26 3.92 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 98 R 7.98 3.73 0.00 1.93 2.13 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 99 L 7.54 3.96 0.00 1.82 1.87 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.77 3.74 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 0.99 0.00 0.00 0.93 0.00 0.00 101 L 8.00 4.07 0.00 1.83 1.58 0.64 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.29 4.57 0.00 2.95 2.75 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 0.00 103 S 7.76 4.30 0.00 4.08 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 0.00 104 V 7.46 3.77 2.47 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 0.71 0.00 0.00 1.09 0.00 0.00 105 K 8.00 4.01 0.00 1.92 1.88 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.37 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 2.01 7.81 106 L 7.71 4.12 0.00 1.70 1.56 0.92 0.97 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 * Residues marked with a * may have inaccurate shift predictions.