NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4738 8.1933 115.4139 57.4992 64.2959 176.3454 3 R 3.8596 8.8312 116.5031 57.4468 29.6148 176.1645 4 S 4.3988 8.8628 113.8966 60.3951 63.3719 175.8361 5 T 4.1391 8.3374 120.5852 66.5642 68.6616 176.4146 6 H 4.2223 8.0600 119.5819 59.4517 30.0763 176.8927 7 N 4.2771 8.7388 118.6459 56.1913 38.3449 176.9511 8 E 4.0372 7.8761 119.3805 59.1370 29.6933 178.6569 9 M 4.0755 8.0776 119.0057 58.1274 32.0141 178.2619 10 E 3.8482 8.2239 119.5137 59.2675 29.9978 178.7117 11 K 3.9641 7.8222 119.1529 59.6277 32.2756 178.1455 12 N 4.3941 8.0176 116.8396 56.2278 38.8969 177.0380 13 R 3.9233 8.1350 120.5142 59.5263 30.1993 178.7478 14 R 3.9460 8.5254 118.1015 58.9914 29.9966 178.9553 15 A 3.9520 7.9223 120.2657 55.6326 18.5505 179.4120 16 H 4.0812 8.0736 114.3659 58.9383 28.7309 177.8701 17 L 4.0218 7.9941 122.1626 57.9821 41.8582 178.9924 18 R 3.9469 8.1425 118.9772 59.3039 30.1210 178.5251 19 L 4.0055 8.0169 118.9296 57.8850 41.6945 179.6824 20 S 4.1710 8.0768 114.9947 61.2731 62.6552 176.5122 21 L 3.9447 8.0152 123.1158 58.2314 41.9134 178.8106 22 E 3.9599 8.3429 118.6248 59.1881 29.2585 179.2140 23 K 3.8809 7.9324 119.2227 59.6211 32.1030 178.5354 24 L 3.9641 7.5756 118.7533 58.0850 41.9911 178.5287 25 K 4.1664 8.1348 119.2054 59.1050 32.1307 178.7589 26 G 3.7885 7.8372 105.4524 47.1901 0.0000 173.9524 27 L 4.1822 7.2200 119.6318 54.0055 43.1017 172.4578 28 V 3.1727 8.2420 127.1401 61.5314 32.1424 170.5124 29 P 4.1427 0.0000 0.0000 64.4980 30.8572 177.0528 *30 L 3.6620 7.1565 115.6008 53.9854 40.3350 178.7560 31 G 4.1715 7.9517 106.7636 44.9811 0.0000 170.9409 32 P 4.6042 0.0000 0.0000 62.1726 32.3301 178.0283 33 D 4.4697 8.5519 123.5646 52.1579 37.9302 171.3350 34 S 4.0495 8.9061 115.4714 61.1787 61.9273 171.4055 35 S 4.6556 8.4084 122.2538 56.5092 63.2467 170.1018 36 R 4.7324 8.1030 116.7319 55.9176 32.3536 174.4821 37 H 4.3502 8.0740 119.6832 53.6219 30.5917 177.8398 38 T 2.9057 8.5398 120.2285 63.6444 68.5591 173.5218 39 T 3.6115 8.7418 123.8123 64.7812 68.1604 173.9513 40 L 3.9345 7.6685 121.8302 58.2421 42.0646 179.0373 41 S 4.1598 7.9735 113.7109 61.0632 62.9188 176.1525 42 L 3.8766 7.7250 123.5092 58.1257 41.9915 178.7110 43 L 3.9828 8.0370 118.9817 57.9779 41.4585 179.8818 44 T 3.8407 7.8597 115.6482 66.5673 68.4204 176.7967 45 K 3.9368 8.2426 121.4341 59.2962 32.0897 178.6425 46 A 3.9667 8.3372 121.4392 54.9704 18.3373 179.3024 47 K 3.8095 7.7899 117.7445 59.9340 32.3025 178.9326 48 L 4.0019 7.9462 119.0414 57.9318 41.3841 179.0972 49 H 4.1823 8.5542 118.4855 59.2550 29.8412 177.3109 50 I 3.6275 8.0223 121.8635 64.3939 36.9689 178.3379 51 K 3.8809 8.1432 119.2372 59.5198 31.8857 179.2544 52 K 3.9468 8.0348 119.6304 59.4279 32.1231 178.8317 53 L 3.9463 8.0640 119.5270 57.8897 41.4636 179.4514 54 E 3.9712 8.3133 118.5338 59.3691 29.4144 178.8676 55 D 4.3026 8.1679 118.1540 57.4730 41.2439 178.5388 56 S 4.1597 8.2868 115.8207 61.2432 62.6870 176.0452 57 D 4.2831 8.1185 120.8705 57.5374 41.0940 178.3122 58 R 3.9259 8.1078 118.5342 59.5846 30.1121 179.2600 59 K 4.0929 8.1435 117.5946 58.8904 31.9675 179.5190 60 A 3.9424 8.0765 121.4929 55.1969 18.5048 179.7143 61 V 3.5275 8.0922 117.2091 66.4457 31.5067 177.7672 62 H 4.2160 8.2861 119.9511 59.9992 29.7767 178.0183 63 Q 4.0322 8.1674 122.5701 59.9949 27.8331 180.2435 64 I 3.8640 7.9301 121.3556 64.4644 37.1845 177.9478 65 D 4.2838 7.9439 118.5581 57.5235 40.9499 178.3831 66 Q 3.9639 8.0975 118.4841 58.9493 28.6354 178.7086 67 L 3.9862 8.4667 120.3933 57.8130 41.6067 179.6403 68 Q 4.0138 8.3516 118.3575 58.9297 28.7290 178.9069 69 R 3.9463 8.0689 119.2291 59.1193 30.1386 178.6427 70 E 3.9226 8.5013 119.5536 59.1641 29.5798 178.7188 71 Q 3.9135 8.3609 119.9347 59.4322 29.2236 178.3988 72 R 3.9340 8.0243 119.0387 59.4478 29.9517 178.6336 73 H 4.1114 8.2068 117.8835 59.2591 29.9105 177.3522 74 L 4.0469 7.9577 120.7443 57.6153 41.1829 179.6954 75 K 3.9359 7.9828 117.5028 59.7016 32.2524 179.3183 76 R 4.0353 8.0693 118.2599 59.1062 29.9188 179.0458 77 Q 3.8513 8.2331 119.5259 59.1646 28.9712 177.8994 78 L 4.0192 8.1304 120.0623 57.8555 41.9593 178.7316 79 E 4.1499 7.7003 120.2577 60.0399 29.6013 177.5274 80 K 4.1933 7.7632 123.2115 54.7607 31.8169 178.3955 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 2 S 8.19 4.47 0.00 4.02 3.55 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 3 R 8.83 3.86 0.00 1.96 2.06 0.00 3.14 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 4 S 8.86 4.40 0.00 4.05 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 5 T 8.34 4.14 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 1.23 0.00 0.00 6 H 8.06 4.22 0.00 3.23 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.74 4.28 0.00 2.78 2.84 0.00 0.00 6.72 7.60 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 8 E 7.88 4.04 0.00 2.39 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 2.30 2.39 0.00 9 M 8.08 4.08 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.55 0.00 10 E 8.22 3.85 0.00 2.01 2.01 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 2.25 2.33 0.00 11 K 7.82 3.96 0.00 1.93 1.93 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 12 N 8.02 4.39 0.00 2.97 2.97 0.00 0.00 6.80 7.93 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 13 R 8.14 3.92 0.00 2.09 2.04 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 R 8.53 3.95 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 15 A 7.92 3.95 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 16 H 8.07 4.08 0.00 3.38 3.37 0.00 5.62 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 17 L 7.99 4.02 0.00 1.91 1.86 0.93 0.86 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 18 R 8.14 3.95 0.00 2.12 2.03 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 19 L 8.02 4.01 0.00 1.95 1.71 0.88 0.57 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 20 S 8.08 4.17 0.00 4.06 3.92 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 21 L 8.02 3.94 0.00 1.95 1.82 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.34 3.96 0.00 2.03 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 2.52 2.47 0.00 23 K 7.93 3.88 0.00 1.98 1.96 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 24 L 7.58 3.96 0.00 1.70 1.86 0.93 0.57 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 25 K 8.13 4.17 0.00 1.86 1.99 0.00 2.08 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 26 G 7.84 3.79 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 0.00 0.00 0.00 27 L 7.22 4.18 0.00 1.61 1.64 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.24 3.17 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 0.92 0.00 0.00 0.90 0.00 0.00 29 P 0.00 4.14 0.00 2.19 2.17 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 *30 L 7.16 3.66 0.00 1.90 1.47 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.95 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.10 1.83 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 33 D 8.55 4.47 0.00 2.87 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 34 S 8.91 4.05 0.00 3.62 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 35 S 8.41 4.66 0.00 3.62 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 36 R 8.10 4.73 0.00 1.75 1.83 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 37 H 8.07 4.35 0.00 3.12 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.54 2.91 4.38 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 1.21 0.00 0.00 39 T 8.74 3.61 4.22 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 0.00 0.00 1.19 0.00 0.00 40 L 7.67 3.93 0.00 1.74 1.65 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.97 4.16 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 42 L 7.72 3.88 0.00 1.72 1.80 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.04 3.98 0.00 1.71 1.70 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.86 3.84 4.39 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 1.21 0.00 0.00 45 K 8.24 3.94 0.00 1.96 1.79 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 46 A 8.34 3.97 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 47 K 7.79 3.81 0.00 1.82 1.98 0.00 1.64 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 1.44 1.49 7.81 48 L 7.95 4.00 0.00 1.76 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.55 4.18 0.00 3.31 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.02 3.63 2.02 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 1.52 0.72 0.90 0.00 0.00 51 K 8.14 3.88 0.00 2.12 1.86 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 52 K 8.03 3.95 0.00 1.87 1.93 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 53 L 8.06 3.95 0.00 1.83 1.65 0.83 1.15 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 54 E 8.31 3.97 0.00 2.14 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 2.32 2.29 0.00 55 D 8.17 4.30 0.00 2.71 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 56 S 8.29 4.16 0.00 4.02 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 57 D 8.12 4.28 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.11 3.93 0.00 2.04 1.98 0.00 3.17 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 1.65 1.88 0.00 59 K 8.14 4.09 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.64 7.81 60 A 8.08 3.94 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 61 V 8.09 3.53 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 0.99 0.00 0.00 1.04 0.00 0.00 62 H 8.29 4.22 0.00 3.40 3.45 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.17 4.03 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 64 I 7.93 3.86 2.04 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 1.40 0.60 0.90 0.00 0.00 65 D 7.94 4.28 0.00 2.72 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 66 Q 8.10 3.96 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 67 L 8.47 3.99 0.00 1.81 1.71 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.35 4.01 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 69 R 8.07 3.95 0.00 1.99 1.97 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 70 E 8.50 3.92 0.00 2.05 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 0.00 2.30 2.29 0.00 71 Q 8.36 3.91 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 72 R 8.02 3.93 0.00 1.92 1.97 0.00 3.18 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 73 H 8.21 4.11 0.00 3.24 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.96 4.05 0.00 1.94 1.72 0.93 0.98 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 75 K 7.98 3.94 0.00 1.90 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.63 7.81 76 R 8.07 4.04 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 77 Q 8.23 3.85 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 78 L 8.13 4.02 0.00 1.85 1.85 0.92 1.02 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 79 E 7.70 4.15 0.00 2.03 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 2.54 2.45 0.00 80 K 7.76 4.19 0.00 1.80 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.