NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7643 8.4201 118.2167 52.3134 39.6269 177.4682 0 A 4.3741 7.9646 122.2595 50.6576 18.0157 176.5269 2 E 4.6209 8.8567 115.4337 57.9852 35.4329 172.9551 3 V 4.4107 8.5738 124.8896 62.3119 30.1815 175.3349 4 T 4.0252 8.7761 124.5389 66.2900 69.1365 174.0352 5 D 4.6170 7.6071 117.5371 53.2958 44.8115 174.6039 6 V 4.8227 8.3290 122.8498 61.2248 34.4159 174.2121 7 R 4.6430 8.9512 128.8133 54.4920 31.9911 174.3571 8 L 5.2351 8.5808 127.4911 53.2047 45.7431 175.4821 9 R 4.5479 8.8714 124.2948 54.4923 32.7936 174.5064 10 R 4.7568 8.6979 126.0201 56.0630 31.1020 176.2882 11 V 4.4091 8.8943 123.1236 61.1174 34.1898 174.6568 12 N 4.8961 8.7914 124.8412 52.5105 40.0800 175.6922 13 T 4.6277 8.1738 121.9984 63.6621 70.3637 175.0558 14 D 4.3534 8.1029 120.1628 55.9658 41.3675 175.1137 15 G 4.0645 10.3938 108.0562 45.3599 0.0000 174.3854 16 R 4.2030 8.1588 114.2137 55.0847 28.7782 176.9087 *18 R 4.2218 8.1023 121.1462 55.8843 33.3944 175.0441 19 A 5.0320 7.7302 117.4900 50.9719 23.2608 175.3226 20 I 4.9494 8.5206 120.4889 59.6291 40.0973 174.9030 21 A 5.1315 9.3110 126.6497 50.5133 23.1540 174.9128 22 S 5.3474 9.1455 116.2146 56.7562 66.0049 173.5398 23 I 5.1365 8.8695 116.3103 59.4580 41.6019 174.0391 24 T 5.0788 8.9302 119.7446 61.8732 71.3166 173.2148 25 L 4.7986 9.5120 127.6401 54.2768 43.5678 176.7731 26 D 4.4828 9.4779 121.9307 55.6507 39.0144 174.3011 27 H 4.2691 8.5898 113.1481 56.3022 26.7225 175.6557 28 E 4.7336 8.5097 113.4811 56.0397 33.0231 174.5271 29 F 4.8272 8.2350 122.8898 56.4091 42.4916 173.3295 30 V 4.6979 7.7108 125.3945 60.9480 33.8758 174.4693 31 V 4.2302 8.8487 127.6884 61.5883 33.8153 174.8769 32 H 4.8459 8.6406 124.9188 54.3754 31.3868 173.9270 33 D 4.4251 8.5281 115.4538 55.7972 38.0724 173.8358 34 I 4.4429 7.8348 119.8908 60.4149 38.8982 175.2912 35 R 4.8535 8.8168 126.2330 54.6428 32.3862 175.4491 36 V 4.2975 8.6154 123.9565 61.4247 33.2826 174.4343 37 I 4.4037 7.6484 128.9455 59.2510 40.1949 174.8579 38 D 4.8518 9.3769 128.3896 53.6890 40.4972 176.1412 39 G 4.1835 8.9136 115.7332 44.3222 0.0000 171.8305 40 N 4.2694 8.6010 115.8524 57.0893 38.5595 177.1613 41 N 4.5867 7.8409 114.6065 53.5873 39.0791 176.1000 42 G 3.8848 8.1261 106.5179 43.9455 0.0000 172.8966 43 L 4.4990 8.3280 118.3879 55.4075 41.8764 177.1399 44 F 5.1269 8.7925 117.9881 55.1526 41.7988 174.0699 45 V 4.7432 8.5313 111.5933 59.9514 34.1147 175.5863 46 A 4.9074 8.4117 124.8548 50.0625 22.8697 172.4952 *48 P 4.4219 0.0000 0.0000 62.8814 32.9781 176.5112 49 S 5.2807 8.7600 119.0177 56.7725 66.5717 173.5510 50 K 4.3036 8.8845 121.3185 57.9403 34.5672 178.1258 *56 E 4.3356 8.2675 116.1998 55.5926 31.1394 176.0179 57 F 5.7123 7.5711 115.0382 54.7466 40.2188 172.8655 58 R 4.7048 8.2835 123.8949 54.3800 34.3567 173.0053 59 D 4.9026 8.6507 119.5040 54.6921 40.4999 177.5408 60 I 3.7978 9.0312 125.4381 63.5716 37.3941 175.8705 61 T 4.3874 7.7562 113.1779 60.3384 68.4164 172.1319 62 H 4.8239 8.6038 128.8208 53.0683 31.5852 171.4857 63 P 4.3134 0.0000 0.0000 62.6204 31.5309 176.6969 64 I 3.8003 8.4025 124.2848 63.6237 37.4661 175.9704 65 N 5.1040 7.6311 116.3985 50.0761 41.6776 175.3134 66 S 4.1954 8.5540 116.0420 61.4172 63.1603 176.6956 67 S 4.1054 8.0454 117.7451 61.5103 62.8821 176.2268 68 T 3.8651 8.6271 117.1681 64.6043 67.0886 176.0070 69 R 3.9855 8.4210 121.4345 59.4817 29.9605 178.3460 70 G 3.7028 8.2044 105.3758 47.9929 0.0000 175.2901 71 K 3.8771 7.8169 121.2694 59.3169 32.0960 179.2508 72 I 3.7322 7.4479 119.4910 64.4206 37.1682 178.0743 73 Q 4.0019 8.4449 119.2655 59.4253 28.5532 179.4911 74 D 4.3449 8.7609 119.3519 57.5291 40.8084 178.8912 75 A 4.0015 7.8713 120.6518 54.9350 18.2888 179.9478 76 V 3.5604 7.9988 116.8507 66.3493 31.7355 178.4311 77 L 4.0922 8.6180 118.8614 57.6333 41.4026 179.4372 78 N 4.4244 8.5580 117.2367 56.3238 38.4433 177.0568 79 E 4.0070 8.0649 120.8869 59.2692 29.4597 178.2133 80 Y 4.0373 7.9821 119.1846 60.0458 38.8171 176.4385 81 H 4.8013 7.7312 114.7415 54.8641 30.1734 174.9649 82 R 3.7488 7.6572 117.7839 57.1481 28.2842 178.8096 83 L 4.1569 7.8624 119.8200 57.5173 41.8710 178.8509 84 G 3.6910 7.9624 104.8367 46.0981 0.0000 172.8921 85 D 4.3869 7.5901 119.1600 54.7456 40.5545 175.2904 86 T 4.4374 8.1485 116.0907 61.5759 69.2400 174.4822 87 E 4.4423 7.7112 126.4425 57.2621 30.6069 175.6266 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 -1 N 8.42 4.76 0.00 2.85 2.89 0.00 0.00 6.02 6.38 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 A 7.96 4.37 1.08 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 2 E 8.86 4.62 0.00 1.91 1.77 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 2.17 2.19 0.00 3 V 8.57 4.41 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 0.78 0.00 0.00 0.98 0.00 0.00 4 T 8.78 4.03 4.34 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 1.12 0.00 0.00 5 D 7.61 4.62 0.00 2.75 2.44 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 6 V 8.33 4.82 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 0.91 0.00 0.00 1.00 0.00 0.00 7 R 8.95 4.64 0.00 1.96 1.76 0.00 3.13 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 8 L 8.58 5.24 0.00 1.68 1.50 1.06 1.00 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 9 R 8.87 4.55 0.00 1.87 1.88 0.00 3.14 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 10 R 8.70 4.76 0.00 1.72 1.85 0.00 3.04 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 11 V 8.89 4.41 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 12 N 8.79 4.90 0.00 2.71 2.74 0.00 0.00 6.87 7.54 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 13 T 8.17 4.63 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 14 D 8.10 4.35 0.00 2.79 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 15 G 10.39 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 4.20 0.00 1.78 1.97 0.00 3.21 0.00 0.00 3.57 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 *18 R 8.10 4.22 0.00 1.67 2.13 0.00 3.42 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 19 A 7.73 5.03 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 20 I 8.52 4.95 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 1.15 0.57 0.91 0.00 0.00 21 A 9.31 5.13 1.21 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 0.00 0.00 0.00 22 S 9.15 5.35 0.00 3.76 3.75 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 23 I 8.87 5.14 1.88 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 1.24 0.98 0.92 0.00 0.00 24 T 8.93 5.08 4.23 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 1.22 0.00 0.00 25 L 9.51 4.80 0.00 1.70 1.62 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.48 4.48 0.00 2.85 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 27 H 8.59 4.27 0.00 3.26 3.48 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.51 4.73 0.00 2.09 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 2.49 2.34 0.00 29 F 8.23 4.83 0.00 3.05 2.93 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 30 V 7.71 4.70 1.82 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 0.64 0.00 0.00 0.85 0.00 0.00 31 V 8.85 4.23 2.10 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 0.98 0.00 0.00 1.07 0.00 0.00 32 H 8.64 4.85 0.00 3.07 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.53 4.43 0.00 2.86 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 34 I 7.83 4.44 2.03 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 1.24 0.95 0.96 0.00 0.00 35 R 8.82 4.85 0.00 1.74 1.69 0.00 3.14 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 36 V 8.62 4.30 1.85 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 0.27 0.00 0.00 0.72 0.00 0.00 37 I 7.65 4.40 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.53 0.78 0.00 0.00 38 D 9.38 4.85 0.00 2.58 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 39 G 8.91 4.18 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 0.00 0.00 0.00 40 N 8.60 4.27 0.00 2.73 2.89 0.00 0.00 6.91 8.00 0.00 0.00 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 N 7.84 4.59 0.00 2.73 2.84 0.00 0.00 7.09 7.65 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 42 G 8.13 3.88 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 0.00 0.00 0.00 43 L 8.33 4.50 0.00 1.52 1.50 0.72 0.56 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 44 F 8.79 5.13 0.00 3.04 3.07 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 45 V 8.53 4.74 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 0.68 0.00 0.00 0.95 0.00 0.00 46 A 8.41 4.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 P 0.00 4.42 0.00 2.15 2.06 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 49 S 8.76 5.28 0.00 3.88 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 50 K 8.88 4.30 0.00 1.81 1.75 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.45 7.81 *56 E 8.27 4.34 0.00 2.49 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 2.32 2.48 0.00 57 F 7.57 5.71 0.00 3.03 2.93 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 58 R 8.28 4.70 0.00 1.75 1.75 0.00 3.32 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 59 D 8.65 4.90 0.00 2.65 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 60 I 9.03 3.80 2.02 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 1.21 0.50 0.95 0.00 0.00 61 T 7.76 4.39 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 62 H 8.60 4.82 0.00 3.09 3.17 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.31 0.00 2.31 2.02 0.00 3.79 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 1.91 1.97 0.00 64 I 8.40 3.80 1.85 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 0.53 0.91 0.00 0.00 65 N 7.63 5.10 0.00 2.90 2.84 0.00 0.00 6.04 7.64 0.00 0.00 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 S 8.55 4.20 0.00 4.06 4.16 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 0.00 0.00 0.00 67 S 8.05 4.11 0.00 4.07 4.15 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 0.00 0.00 0.00 68 T 8.63 3.87 4.23 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 1.33 0.00 0.00 69 R 8.42 3.99 0.00 1.86 2.10 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 70 G 8.20 3.70 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 0.00 0.00 0.00 71 K 7.82 3.88 0.00 2.10 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 72 I 7.45 3.73 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 1.54 0.59 0.93 0.00 0.00 73 Q 8.44 4.00 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 74 D 8.76 4.34 0.00 2.75 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 75 A 7.87 4.00 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 76 V 8.00 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 77 L 8.62 4.09 0.00 1.72 1.78 0.94 0.79 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 78 N 8.56 4.42 0.00 2.98 2.89 0.00 0.00 6.50 7.85 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 79 E 8.06 4.01 0.00 2.05 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 2.32 2.38 0.00 80 Y 7.98 4.04 0.00 2.97 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 81 H 7.73 4.80 0.00 3.22 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.66 3.75 0.00 1.89 2.10 0.00 3.07 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 83 L 7.86 4.16 0.00 1.86 1.75 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.96 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.59 4.39 0.00 2.95 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.44 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 87 E 7.71 4.44 0.00 2.16 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 0.00 2.16 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.