NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5030 8.3101 120.0804 56.2776 33.8842 174.7859 4 A 4.3818 8.7951 125.1344 51.0062 20.6438 175.0668 5 Q 4.0869 9.8879 121.3760 54.0355 32.0508 173.0291 6 I 5.0005 8.0572 125.4678 59.4077 40.1809 174.7007 7 E 5.1866 9.3952 126.0462 54.5846 33.0282 174.9888 8 I 4.9062 9.0533 125.0149 59.9049 40.2826 173.9587 9 Y 5.2172 9.3711 126.5756 56.5487 39.7575 174.7434 10 Y 5.8183 8.5632 121.9128 55.0245 42.2691 173.8706 11 C 4.8036 10.1474 122.7782 57.0930 44.0232 174.0016 12 R 3.8308 9.2914 129.3190 59.1175 29.6546 176.9715 13 Q 4.4360 7.8184 111.7436 56.2417 29.1316 176.2047 14 C 4.0997 7.6560 115.1999 56.2851 40.4837 172.8954 15 N 4.0946 7.8466 116.6294 55.1388 37.1050 175.5625 16 W 4.8789 7.6266 118.2318 55.3038 29.5636 176.4898 *18 L 4.2712 7.6461 122.4089 54.6303 43.7329 180.0508 19 R 4.2080 7.7411 114.8131 59.2458 29.2370 178.9416 20 S 4.2412 8.0228 115.6121 61.5216 62.8706 176.3502 21 A 3.9883 7.8952 123.0217 54.6522 18.0772 179.3230 22 W 4.1255 8.3225 126.9279 60.8355 30.9481 178.1353 23 L 3.0316 7.8085 118.8203 57.5116 40.9045 179.5653 24 S 4.0228 8.1435 113.0505 61.6505 62.2987 176.4013 25 Q 4.0110 8.0815 120.6112 58.7379 28.3736 178.4448 26 E 3.8589 8.0158 119.9676 59.2951 29.3494 179.4475 27 L 4.1086 7.7536 118.8456 57.8967 41.2644 179.5418 28 L 4.0609 8.1340 119.0138 57.8844 41.2411 179.1726 29 H 4.1994 8.2264 117.7982 59.5139 29.9515 177.1833 30 T 3.8129 7.6326 116.4266 65.0745 68.9581 175.3783 31 F 5.6739 8.4801 119.7656 55.5753 39.7022 177.4283 32 S 4.3324 8.1708 115.9352 60.0445 62.8345 174.7346 33 E 4.5155 8.1552 117.7141 56.3152 30.7462 175.9906 34 E 4.5390 8.1643 117.3335 55.9054 30.4531 175.0938 35 I 4.7128 7.4234 120.2330 59.5637 39.1424 175.0891 36 E 4.2971 9.1388 127.5862 58.7925 30.1022 176.0592 37 Y 4.7558 6.8943 114.1019 56.3513 40.8949 172.7085 38 V 4.9795 8.8304 120.1323 61.1705 34.1515 174.2696 39 A 4.8638 9.5966 129.8855 50.1324 21.7960 174.6877 40 L 5.0330 8.5535 122.1195 53.5905 43.6824 175.8029 41 H 4.7774 9.4469 122.6469 52.9596 30.5255 172.1283 42 P 3.3219 0.0000 0.0000 62.8116 31.8321 175.1752 43 D 5.2082 9.0201 125.2106 52.9102 44.9689 174.6394 44 T 4.5927 9.3739 109.7736 60.4152 70.8400 174.0196 45 G 3.6717 8.0686 108.7069 45.4281 0.0000 174.8001 46 G 4.1424 8.6326 111.0507 46.1209 0.0000 173.0726 47 R 4.4913 7.8890 120.7498 56.0273 31.8280 175.5525 48 F 5.4570 8.8280 128.3699 57.8687 41.7168 171.8912 49 E 5.1190 9.4504 127.4100 54.3915 33.4867 173.8561 50 I 5.0558 8.4513 126.3033 59.5134 40.6616 174.5239 51 F 5.3406 9.4917 124.4843 55.8272 43.1306 173.7967 52 C 4.9337 9.0521 122.1283 57.9069 34.4463 173.7662 53 N 4.2369 10.2145 126.0730 54.3591 36.3516 175.7731 54 G 3.9275 8.4911 105.4650 45.3066 0.0000 173.9732 55 V 4.1542 7.8736 121.0941 61.0226 32.3691 174.6893 56 Q 4.1443 8.9608 129.2365 56.3582 29.0188 175.1952 57 I 4.4495 7.9152 118.3955 60.1838 38.8055 175.3202 58 W 4.2993 7.3019 129.8856 56.7750 34.2471 172.6234 59 E 4.5524 7.4122 127.2372 54.8301 31.9785 174.9742 60 R 4.1393 9.0310 127.8503 59.0501 30.4054 178.5041 61 K 3.8617 9.1790 116.5131 59.4633 32.1011 178.5549 62 Q 3.9894 8.0231 117.7355 59.4633 28.9701 178.0668 63 E 3.8863 8.0516 117.0888 55.8894 29.8801 176.6077 64 G 3.8457 8.1430 107.3522 44.3511 0.0000 174.4529 65 G 3.7680 6.6968 106.8500 45.3916 0.0000 171.6435 66 F 4.8411 8.2541 119.3448 54.6192 41.7061 173.5964 67 P 3.7222 0.0000 0.0000 62.2385 31.8862 176.5886 68 E 4.3867 8.2765 119.3484 55.5177 31.8905 177.7010 69 A 3.7201 8.6474 123.5180 55.2572 18.4650 180.1602 70 K 3.8512 7.9876 117.4080 59.6640 32.3764 178.9392 71 V 3.6260 7.7281 117.9396 66.0255 31.6498 177.5528 72 L 3.9432 7.8350 120.0300 57.9622 41.7834 179.0050 73 K 4.1711 8.1685 118.5152 59.4871 32.0285 179.0019 74 Q 4.0056 8.1856 119.6429 59.5169 28.8532 178.6550 75 R 3.9714 7.9215 117.4422 59.0981 30.2998 179.0038 76 V 3.6208 7.7073 117.9942 65.7114 31.3909 178.0198 77 R 3.6823 8.0675 118.7498 59.5138 29.7457 178.0906 78 D 4.4598 8.1549 116.9831 56.1148 40.8779 177.4597 79 L 4.5010 7.3711 117.5785 53.9431 43.0238 176.8194 80 I 3.8190 6.4600 119.7562 60.3691 37.7211 175.5774 81 D 4.4074 8.3529 122.6914 53.2450 40.4545 174.4752 82 P 4.4395 0.0000 0.0000 63.0024 31.2644 176.3605 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 K 8.31 4.50 0.00 1.63 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 A 8.80 4.38 1.13 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 0.00 0.00 0.00 0.00 0.00 5 Q 9.89 4.09 0.00 1.78 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 6 I 8.06 5.00 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.95 0.00 0.00 7 E 9.40 5.19 0.00 2.18 1.76 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 2.36 2.54 0.00 8 I 9.05 4.91 1.93 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 1.18 0.90 0.91 0.00 0.00 9 Y 9.37 5.22 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 5.82 0.00 3.67 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 C 10.15 4.80 0.00 3.30 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 12 R 9.29 3.83 0.00 1.71 2.01 0.00 3.28 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 13 Q 7.82 4.44 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 14 C 7.66 4.10 0.00 1.30 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.09 0.00 2.82 2.84 0.00 0.00 6.93 7.95 0.00 0.00 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 W 7.63 4.88 0.00 3.75 3.13 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 0.00 0.00 0.00 *18 L 7.65 4.27 0.00 1.78 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.74 4.21 0.00 2.06 2.05 0.00 2.21 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 20 S 8.02 4.24 0.00 3.57 3.89 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 21 A 7.90 3.99 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 W 8.32 4.13 0.00 3.36 3.42 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 0.00 0.00 0.00 23 L 7.81 3.03 0.00 1.75 1.43 0.98 -0.49 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 24 S 8.14 4.02 0.00 3.88 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 25 Q 8.08 4.01 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 26 E 8.02 3.86 0.00 1.77 1.76 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 1.80 1.57 0.00 27 L 7.75 4.11 0.00 1.89 1.82 0.88 0.71 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 28 L 8.13 4.06 0.00 1.71 1.75 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.23 4.20 0.00 3.20 3.43 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.63 3.81 3.66 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 0.00 0.00 0.00 0.18 0.00 0.00 31 F 8.48 5.67 0.00 3.11 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 32 S 8.17 4.33 0.00 3.97 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.52 0.00 1.98 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 2.23 2.30 0.00 34 E 8.16 4.54 0.00 2.14 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 2.31 2.34 0.00 35 I 7.42 4.71 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.96 0.00 0.00 36 E 9.14 4.30 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 37 Y 6.89 4.76 0.00 3.03 3.01 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 38 V 8.83 4.98 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 0.85 0.00 0.00 0.95 0.00 0.00 39 A 9.60 4.86 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 40 L 8.55 5.03 0.00 1.62 1.87 0.95 1.13 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 41 H 9.45 4.78 0.00 2.42 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 3.32 0.00 1.95 1.99 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 43 D 9.02 5.21 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 44 T 9.37 4.59 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 45 G 8.07 3.67 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 0.00 0.00 0.00 46 G 8.63 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.89 4.49 0.00 2.09 2.08 0.00 3.17 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 48 F 8.83 5.46 0.00 3.33 2.88 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 49 E 9.45 5.12 0.00 2.10 1.72 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 1.47 2.15 0.00 50 I 8.45 5.06 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.22 0.92 0.00 0.00 51 F 9.49 5.34 0.00 2.99 2.92 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 0.00 0.00 0.00 52 C 9.05 4.93 0.00 2.88 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 53 N 10.21 4.24 0.00 2.79 2.82 0.00 0.00 7.18 7.68 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 54 G 8.49 3.93 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 0.00 55 V 7.87 4.15 2.23 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 0.93 0.00 0.00 0.95 0.00 0.00 56 Q 8.96 4.14 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.14 1.67 0.00 57 I 7.92 4.45 1.92 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 1.23 0.86 0.96 0.00 0.00 58 W 7.30 4.30 0.00 3.41 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 59 E 7.41 4.55 0.00 2.01 1.64 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 0.00 2.18 2.24 0.00 60 R 9.03 4.14 0.00 2.10 1.97 0.00 2.86 0.00 0.00 2.71 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.00 61 K 9.18 3.86 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.60 7.81 62 Q 8.02 3.99 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.06 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 63 E 8.05 3.89 0.00 1.31 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 1.47 1.47 0.00 64 G 8.14 3.85 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 0.00 0.00 0.00 65 G 6.70 3.77 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 0.00 0.00 0.00 66 F 8.25 4.84 0.00 2.82 2.63 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 0.00 0.00 0.00 0.00 67 P 0.00 3.72 0.00 1.33 0.49 0.00 3.52 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 0.00 68 E 8.28 4.39 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 69 A 8.65 3.72 1.31 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 0.00 0.00 70 K 7.99 3.85 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 71 V 7.73 3.63 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 1.19 0.00 0.00 1.01 0.00 0.00 72 L 7.83 3.94 0.00 1.56 1.48 0.82 0.25 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 73 K 8.17 4.17 0.00 2.09 1.98 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.62 7.81 74 Q 8.19 4.01 0.00 2.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 75 R 7.92 3.97 0.00 1.88 2.02 0.00 3.50 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 76 V 7.71 3.62 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 0.33 0.00 0.00 0.88 0.00 0.00 77 R 8.07 3.68 0.00 2.21 2.15 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 78 D 8.15 4.46 0.00 2.69 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 79 L 7.37 4.50 0.00 1.68 1.64 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 I 6.46 3.82 1.83 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 0.92 0.43 0.82 0.00 0.00 81 D 8.35 4.41 0.00 2.61 2.60 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 82 P 0.00 4.44 0.00 2.22 2.03 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.