NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3554 8.1749 110.9391 61.2953 70.7502 174.4858 4 T 3.7887 8.0841 120.1703 66.2932 68.5655 173.3599 5 L 4.4633 8.3204 120.2947 52.7562 43.8656 174.4764 6 P 4.3695 0.0000 0.0000 62.4396 31.8419 177.0916 7 R 4.1225 8.3267 121.6148 55.9569 30.7254 176.6480 8 I 3.9299 8.0500 121.8658 61.7481 37.7950 175.8879 9 T 4.4659 8.0868 117.1392 61.1191 70.1656 172.4801 10 A 4.7415 8.2464 130.5670 50.3010 22.3951 175.3912 11 R 4.3245 8.4196 117.3395 55.5576 30.7484 176.4179 12 V 4.4665 8.0002 113.4719 59.1779 34.9727 175.8011 13 D 4.7279 8.3099 123.1913 52.4791 41.8990 177.8322 14 V 3.6321 8.1967 119.3096 65.1105 31.1964 177.9982 15 D 4.3392 8.1162 118.9627 57.4158 40.6204 178.8495 16 T 3.8606 8.4852 116.3698 66.5926 68.4695 176.4435 17 Q 3.9421 8.0897 121.4694 59.6199 29.0342 178.4875 18 D 4.3588 8.2974 119.7330 56.9080 40.7829 178.3221 19 L 3.8602 7.8976 121.0096 58.4200 42.0653 179.2627 20 L 3.7081 8.1610 118.6691 57.2804 41.4995 179.4360 21 A 3.8333 8.2884 121.3481 54.9281 18.3634 179.4548 22 K 3.7429 8.4474 118.2720 59.7060 32.2641 178.8083 23 A 3.8173 7.9039 120.7215 54.8837 17.9540 179.4082 24 A 3.7817 7.5747 118.5800 55.0703 18.7258 179.4420 25 A 4.0549 7.8916 119.1500 55.4517 18.3070 179.8954 26 L 3.9562 7.6413 115.8220 57.5705 41.7568 178.7700 27 A 4.5203 7.9604 118.0190 50.9534 19.8437 175.7276 28 G 3.5409 7.6800 109.5126 45.4817 0.0000 173.5322 *30 S 4.5077 8.0743 118.5252 57.6981 65.4682 175.5950 31 S 4.8030 7.5282 114.2432 55.6092 67.2351 174.7795 32 I 3.7867 8.2457 123.6805 64.8064 36.9255 178.5195 33 N 4.5082 8.1659 116.8374 56.2400 38.4039 177.5324 34 S 4.1066 7.9316 116.8523 61.4881 62.9709 176.3867 35 F 4.0231 8.0792 122.9092 61.2201 39.0795 177.1227 36 V 3.5229 8.3703 118.1753 66.0720 31.3431 177.7302 37 L 3.8937 7.8318 119.9015 58.1723 42.0359 178.4503 38 N 4.2044 8.1909 116.8057 56.3345 38.8870 176.5355 39 A 3.7091 8.1411 122.3416 55.1371 18.4264 179.4949 40 A 3.8817 8.1356 119.3807 55.3913 18.4543 179.9310 41 I 3.6628 7.8546 118.6374 64.4423 37.1631 178.5340 42 E 4.0087 8.0957 118.3261 59.0800 29.4530 179.0779 43 K 4.2185 8.2930 121.7647 58.5131 32.1210 178.7531 44 A 3.9348 8.0861 121.1453 55.0638 18.2896 179.4576 45 K 3.8164 7.9535 117.3299 59.9098 31.9394 179.5335 46 Q 3.9613 8.0550 117.6309 59.0378 28.5420 178.5824 47 V 3.5921 8.0561 120.4325 65.8908 31.6550 178.0217 48 I 3.6908 7.9945 119.9861 64.4498 36.9114 178.3403 49 E 4.0181 8.4562 118.6162 59.2262 29.5449 178.8889 50 R 3.8583 8.3148 120.0628 59.3385 30.0670 178.1413 51 E 3.9551 8.2089 119.0840 59.0787 29.5920 178.5065 52 Q 3.9291 8.0999 119.4668 59.1306 29.1320 178.1355 53 A 4.0059 8.3817 122.2400 55.0394 18.3861 179.3685 54 L 3.9370 8.0051 118.9171 58.1048 42.1287 179.4916 55 K 3.9527 8.0534 118.5235 59.1905 32.0548 178.9756 56 L 3.8966 7.6722 120.2368 58.3578 41.6702 178.9119 57 S 4.0814 8.0501 112.9475 61.5663 62.2653 175.9503 58 Q 3.9690 8.2173 121.9794 58.8486 28.7597 177.6850 59 A 4.0228 8.6212 122.3367 55.3397 18.2660 179.3705 60 D 4.3336 8.3517 117.1789 57.2974 40.6745 178.8279 61 A 3.9836 7.5859 120.3691 54.7555 18.4073 179.5280 62 V 3.6837 7.5655 116.2777 66.2495 31.9232 177.9982 63 L 4.1884 7.7261 118.2812 57.4503 41.3651 180.2088 64 L 4.2306 8.0313 119.4467 55.1545 42.1375 178.3547 *66 E 4.1448 8.2239 119.0344 55.6752 31.6223 177.2896 67 A 4.1251 8.1492 121.4525 55.2897 18.5334 179.6367 68 L 4.0558 8.0328 114.7073 57.9484 41.7263 178.5655 69 D 4.5279 7.6183 115.8314 56.2475 41.7358 176.1135 70 N 5.1046 7.9319 116.5971 50.6901 39.3968 173.7250 71 P 4.2946 0.0000 0.0000 65.5922 31.9257 178.4082 72 A 3.9246 7.9361 120.2306 55.1404 18.4013 179.5362 73 V 3.5130 7.7554 116.2636 65.9802 31.5348 178.1649 74 V 3.5540 7.8370 117.9112 66.2716 31.5025 177.7067 75 N 4.2808 8.7628 116.2249 56.1838 38.3894 177.2547 76 A 3.9556 8.3289 122.4014 55.2266 18.4680 179.7743 77 K 3.9139 8.1570 116.9692 59.7306 32.0365 179.6360 78 L 4.0352 8.1730 119.3035 57.5271 41.3937 179.5141 79 K 3.9663 8.0707 119.7478 59.1709 31.8966 178.8282 80 L 3.9449 7.6443 118.0815 57.8625 41.6987 179.0532 81 A 4.1126 7.5292 118.7111 55.0893 18.3914 178.9908 82 S 4.1940 8.0815 111.1931 61.3111 62.5098 174.6020 83 E 4.3724 8.2824 123.1605 56.4974 29.7772 175.3512 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 T 8.17 4.36 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 1.21 0.00 0.00 4 T 8.08 3.79 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 1.21 0.00 0.00 5 L 8.32 4.46 0.00 1.63 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.37 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 7 R 8.33 4.12 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 8 I 8.05 3.93 1.87 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 1.30 0.46 0.91 0.00 0.00 9 T 8.09 4.47 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 1.26 0.00 0.00 10 A 8.25 4.74 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 11 R 8.42 4.32 0.00 1.93 1.94 0.00 2.98 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 12 V 8.00 4.47 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 0.81 0.00 0.00 0.94 0.00 0.00 13 D 8.31 4.73 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.20 3.63 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 0.84 0.00 0.00 0.92 0.00 0.00 15 D 8.12 4.34 0.00 2.97 2.76 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 16 T 8.49 3.86 4.37 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 1.23 0.00 0.00 17 Q 8.09 3.94 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 18 D 8.30 4.36 0.00 2.79 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 19 L 7.90 3.86 0.00 1.88 1.88 0.91 0.59 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 20 L 8.16 3.71 0.00 1.79 1.61 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.29 3.83 1.33 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 0.00 0.00 22 K 8.45 3.74 0.00 1.72 1.94 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 23 A 7.90 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.57 3.78 1.25 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 0.00 0.00 0.00 25 A 7.89 4.05 1.33 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 0.00 0.00 26 L 7.64 3.96 0.00 1.77 1.75 0.93 0.87 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 27 A 7.96 4.52 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 28 G 7.68 3.54 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 *30 S 8.07 4.51 0.00 4.02 4.07 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 0.00 0.00 0.00 0.00 31 S 7.53 4.80 0.00 4.03 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 32 I 8.25 3.79 1.90 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 1.59 0.51 0.96 0.00 0.00 33 N 8.17 4.51 0.00 2.76 2.89 0.00 0.00 7.14 7.63 0.00 0.00 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 S 7.93 4.11 0.00 3.97 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 35 F 8.08 4.02 0.00 3.17 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.52 2.33 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 1.05 0.00 0.00 1.16 0.00 0.00 37 L 7.83 3.89 0.00 1.88 1.63 0.90 0.62 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 38 N 8.19 4.20 0.00 2.75 2.71 0.00 0.00 7.11 8.09 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 39 A 8.14 3.71 0.93 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 0.00 0.00 40 A 8.14 3.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.66 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 1.55 0.57 0.88 0.00 0.00 42 E 8.10 4.01 0.00 2.19 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 2.44 2.25 0.00 43 K 8.29 4.22 0.00 1.94 2.02 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.34 7.81 44 A 8.09 3.93 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 45 K 7.95 3.82 0.00 1.95 1.88 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 Q 8.05 3.96 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 47 V 8.06 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 48 I 7.99 3.69 2.04 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 1.57 0.79 0.90 0.00 0.00 49 E 8.46 4.02 0.00 2.18 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 0.00 2.59 2.30 0.00 50 R 8.31 3.86 0.00 1.91 2.21 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 51 E 8.21 3.96 0.00 2.14 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 2.30 2.35 0.00 52 Q 8.10 3.93 0.00 2.40 2.08 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 2.35 2.42 0.00 53 A 8.38 4.01 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 54 L 8.01 3.94 0.00 1.91 1.88 0.92 0.36 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 55 K 8.05 3.95 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 56 L 7.67 3.90 0.00 1.85 1.82 0.92 1.24 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 57 S 8.05 4.08 0.00 3.94 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 58 Q 8.22 3.97 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 59 A 8.62 4.02 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 60 D 8.35 4.33 0.00 2.91 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 61 A 7.59 3.98 1.33 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 0.00 0.00 62 V 7.57 3.68 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 0.87 0.00 0.00 1.00 0.00 0.00 63 L 7.73 4.19 0.00 1.87 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.03 4.23 0.00 1.81 1.62 0.92 1.14 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 *66 E 8.22 4.14 0.00 2.06 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 2.27 2.32 0.00 67 A 8.15 4.13 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 68 L 8.03 4.06 0.00 1.63 1.75 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.62 4.53 0.00 2.90 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 70 N 7.93 5.10 0.00 2.70 2.69 0.00 0.00 6.58 8.10 0.00 0.00 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 P 0.00 4.29 0.00 2.26 2.30 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 72 A 7.94 3.92 1.33 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 0.00 0.00 73 V 7.76 3.51 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 1.02 0.00 0.00 0.93 0.00 0.00 74 V 7.84 3.55 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 1.05 0.00 0.00 1.01 0.00 0.00 75 N 8.76 4.28 0.00 2.78 2.86 0.00 0.00 7.00 7.84 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 76 A 8.33 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 77 K 8.16 3.91 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 78 L 8.17 4.04 0.00 1.83 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.07 3.97 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 80 L 7.64 3.94 0.00 1.85 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.53 4.11 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 82 S 8.08 4.19 0.00 4.09 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 83 E 8.28 4.37 0.00 2.13 1.90 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 2.50 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.