NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1977 8.2493 123.5642 51.2639 19.9623 176.0697 4 V 2.9760 7.8803 118.6982 61.8876 31.4414 174.7718 5 K 3.8843 8.5067 125.0028 55.0088 33.0432 176.4203 6 Y 4.6721 7.9817 123.0912 58.2197 38.4876 175.2451 7 Y 5.3566 9.5441 122.2872 56.5781 42.1114 175.6788 8 T 4.7729 9.6672 118.6804 61.1663 68.9766 175.6292 9 L 3.9794 9.7202 125.5347 58.5154 41.4456 179.4128 10 E 3.7929 8.2551 117.9416 59.5992 29.4178 178.4051 11 E 3.8863 8.1642 118.0968 59.8986 30.0361 179.5573 12 I 4.2087 7.8783 118.9090 64.5185 37.0572 178.1613 13 Q 4.3358 8.2756 119.9589 58.9396 28.9854 177.8191 14 K 4.2797 8.1583 117.6149 57.1740 33.3348 177.1414 15 H 4.4089 8.3807 117.9199 53.2190 28.6765 173.7379 16 N 5.0118 7.7967 113.3165 52.9762 39.5753 175.2121 17 N 4.6477 7.9825 117.4678 52.3214 39.9814 174.8175 18 S 4.1336 8.3949 113.1160 61.2731 62.3799 174.2287 19 K 4.2438 7.7982 116.9138 57.9686 33.7349 174.8243 20 S 4.1572 7.7090 122.5523 58.5395 63.9320 172.5235 21 T 4.8772 9.5308 121.0561 61.5397 71.5631 173.0581 22 W 5.6150 9.2014 126.9214 55.0527 32.9127 174.9467 23 L 5.1340 8.7334 121.4144 55.0383 44.5018 174.0789 24 I 5.0861 8.8023 119.4211 59.7222 40.0308 175.4949 25 L 4.8138 8.9501 127.6158 53.6184 42.1774 174.6522 26 H 3.4309 9.6931 122.7934 56.6054 26.0374 176.1375 27 Y 3.9491 7.3371 119.6591 58.8016 37.8047 170.3045 28 K 4.5384 8.2895 120.0538 56.0812 33.6685 176.3774 29 V 4.6014 8.5719 125.6609 61.8915 33.4551 173.9349 30 Y 4.9294 9.2210 126.8119 55.5901 39.7743 176.3078 31 D 4.8736 8.5069 129.1725 52.4381 38.3345 177.7373 32 L 4.3396 7.9160 114.0555 56.4653 41.9414 179.9762 33 T 3.9647 8.1735 118.8604 66.5133 68.4546 175.9964 34 K 4.1502 8.0665 120.3223 59.5084 33.3295 178.8502 35 F 4.1013 8.1333 120.7269 60.2457 39.7246 177.5815 36 L 3.6931 7.8909 120.4891 57.7899 41.3150 178.4385 37 E 4.1288 7.4151 116.4496 58.8322 29.8493 178.4962 38 E 3.9859 7.9301 118.3297 59.2593 29.9876 176.5706 39 H 3.7924 7.6880 120.3398 55.3387 29.9119 174.0641 40 P 4.2401 0.0000 0.0000 65.6574 31.1314 177.1494 41 G 3.5738 7.4730 105.8788 44.9656 0.0000 174.6018 42 G 3.8321 7.8979 110.7525 44.9790 0.0000 173.9487 43 E 4.2154 8.5100 115.3998 58.7999 30.2987 177.4095 44 E 3.8701 8.4608 121.3163 59.1820 29.6105 179.1752 45 V 3.7852 7.8790 111.3451 64.7110 31.4335 178.5762 46 L 4.0714 7.7754 116.6566 57.7144 41.9045 178.9624 47 R 4.1275 8.2124 120.3029 58.8550 29.7967 178.2262 48 E 3.9759 8.5081 117.6752 59.7144 29.9843 179.1238 49 Q 4.1701 8.2937 116.1562 56.4687 28.8626 176.3911 50 A 4.4252 7.4436 123.7769 53.2576 18.9108 177.1035 51 G 3.9879 9.3430 108.4476 45.9790 0.0000 173.7414 52 G 4.0473 7.4849 105.2191 43.8094 0.0000 173.1835 53 D 4.7891 8.7170 118.9062 53.9465 38.8676 176.1303 54 A 4.7183 8.3481 126.8095 51.3288 19.2693 177.7654 55 T 3.7284 7.8435 118.4836 68.8107 68.5415 175.1233 56 E 3.6907 8.3648 117.2807 60.5970 29.5231 178.3985 57 N 4.3417 8.1233 114.8286 56.3838 39.0521 177.0951 58 F 4.1670 8.6505 122.2625 61.5473 38.9925 177.0996 59 E 3.9072 8.6666 118.5483 59.2526 29.0722 179.0696 60 D 4.3323 8.4263 118.5128 57.4283 41.0196 178.7018 61 V 3.6368 7.7452 117.7861 64.0213 31.4856 176.0955 62 G 4.2517 8.0599 109.4064 42.4967 0.0000 175.9046 63 H 3.9230 8.2110 115.0597 56.1637 27.1525 178.2160 64 S 4.5808 8.6457 118.6742 57.2996 66.3544 175.1983 65 T 3.8583 8.4204 120.9776 67.4032 68.3060 176.1037 66 D 4.3994 8.2632 119.5668 57.8010 40.8057 179.2715 67 A 4.1803 7.7269 119.6304 55.0436 18.3332 179.6175 68 R 4.2090 8.2810 116.1034 59.7625 30.4535 178.5509 69 E 4.2189 8.3725 117.7692 58.3877 29.6573 178.6472 70 L 3.7394 8.2928 120.9977 58.1352 42.0596 178.6238 71 S 3.6559 8.1628 113.4030 61.6316 62.1057 176.2403 72 K 3.8003 7.5213 120.4270 59.8295 31.5832 178.9408 73 T 3.8437 7.5498 108.5232 63.4845 68.6774 174.8014 74 F 5.1141 7.5141 119.4698 56.4075 39.4435 175.1314 75 I 3.6053 7.4501 123.4046 60.9715 36.9241 175.6870 76 I 3.8952 8.0977 120.1354 62.1195 38.7869 175.2384 77 G 3.9590 6.8786 105.6974 46.1055 0.0000 171.1162 78 E 5.2376 8.1689 117.8409 54.6246 33.6849 175.1212 79 L 4.5979 8.7345 126.7082 55.7686 42.7142 176.2383 80 H 4.2094 9.3168 126.0241 56.1879 30.4082 174.0175 81 P 4.1157 0.0000 0.0000 64.6948 31.2252 176.5194 82 D 4.4745 7.9164 117.9640 56.1772 41.6550 176.3948 83 D 4.3930 8.3128 120.0313 56.2902 41.7762 176.7963 *84 R 4.1530 7.8736 121.2069 56.3616 30.0642 180.0064 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 A 8.25 4.20 1.19 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 0.00 0.00 4 V 7.88 2.98 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 -0.31 0.00 0.00 0.44 0.00 0.00 5 K 8.51 3.88 0.00 0.79 0.94 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.17 7.81 6 Y 7.98 4.67 0.00 2.86 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 7 Y 9.54 5.36 0.00 2.84 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 8 T 9.67 4.77 4.29 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 1.27 0.00 0.00 9 L 9.72 3.98 0.00 1.74 1.78 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.26 3.79 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 11 E 8.16 3.89 0.00 2.31 1.86 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 2.26 2.31 0.00 12 I 7.88 4.21 2.14 0.00 0.00 1.05 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 0.72 1.16 0.00 0.00 13 Q 8.28 4.34 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 14 K 8.16 4.28 0.00 1.92 1.69 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.67 7.81 15 H 8.38 4.41 0.00 2.58 2.33 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.80 5.01 0.00 2.73 2.89 0.00 0.00 6.60 7.96 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 17 N 7.98 4.65 0.00 2.69 2.77 0.00 0.00 6.70 6.71 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 18 S 8.39 4.13 0.00 3.80 3.91 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 19 K 7.80 4.24 0.00 1.71 1.75 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.42 7.81 20 S 7.71 4.16 0.00 3.83 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 21 T 9.53 4.88 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 22 W 9.20 5.61 0.00 3.35 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 23 L 8.73 5.13 0.00 1.95 1.95 0.93 0.85 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 24 I 8.80 5.09 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 1.06 0.00 0.00 25 L 8.95 4.81 0.00 0.54 1.17 0.53 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 H 9.69 3.43 0.00 3.33 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.34 3.95 0.00 3.28 3.18 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 28 K 8.29 4.54 0.00 2.10 1.51 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.60 7.81 29 V 8.57 4.60 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 0.86 0.00 0.00 1.09 0.00 0.00 30 Y 9.22 4.93 0.00 2.88 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 31 D 8.51 4.87 0.00 2.58 2.55 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 32 L 7.92 4.34 0.00 1.96 1.87 1.03 0.65 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 33 T 8.17 3.96 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 1.31 0.00 0.00 34 K 8.07 4.15 0.00 1.95 2.08 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.62 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 35 F 8.13 4.10 0.00 2.28 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 36 L 7.89 3.69 0.00 1.65 1.65 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.42 4.13 0.00 1.96 1.97 0.00 0.00 0.00 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 2.24 0.00 38 E 7.93 3.99 0.00 1.94 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 0.00 2.47 2.45 0.00 39 H 7.69 3.79 0.00 1.59 2.96 0.00 5.61 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 40 P 0.00 4.24 0.00 2.19 2.18 0.00 3.90 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 2.01 2.04 0.00 41 G 7.47 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 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 0.00 0.00 0.00 43 E 8.51 4.22 0.00 2.15 2.30 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 2.30 2.28 0.00 44 E 8.46 3.87 0.00 2.04 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 2.32 2.61 0.00 45 V 7.88 3.79 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 0.89 0.00 0.00 1.07 0.00 0.00 46 L 7.78 4.07 0.00 1.78 1.78 0.83 0.90 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 47 R 8.21 4.13 0.00 2.01 2.04 0.00 3.15 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 48 E 8.51 3.98 0.00 2.18 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 2.36 2.51 0.00 49 Q 8.29 4.17 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.34 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 50 A 7.44 4.43 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 51 G 9.34 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.48 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.72 4.79 0.00 2.78 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 54 A 8.35 4.72 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 T 7.84 3.73 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 0.77 0.00 0.00 56 E 8.36 3.69 0.00 2.02 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 0.00 2.40 2.46 0.00 57 N 8.12 4.34 0.00 2.82 2.95 0.00 0.00 6.53 8.16 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 58 F 8.65 4.17 0.00 2.99 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 59 E 8.67 3.91 0.00 2.06 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 2.57 2.52 0.00 60 D 8.43 4.33 0.00 2.74 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 61 V 7.75 3.64 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 0.53 0.00 0.00 0.95 0.00 0.00 62 G 8.06 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 0.00 0.00 0.00 0.00 63 H 8.21 3.92 0.00 2.71 2.62 0.00 5.94 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.65 4.58 0.00 4.00 3.91 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 65 T 8.42 3.86 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 66 D 8.26 4.40 0.00 2.79 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 67 A 7.73 4.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.21 0.00 2.18 2.11 0.00 3.45 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 69 E 8.37 4.22 0.00 1.97 1.96 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 2.54 2.45 0.00 70 L 8.29 3.74 0.00 1.64 1.84 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.16 3.66 0.00 3.60 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 72 K 7.52 3.80 0.00 1.81 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.57 7.81 73 T 7.55 3.84 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 1.03 0.00 0.00 74 F 7.51 5.11 0.00 3.14 3.03 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 75 I 7.45 3.61 1.52 0.00 0.00 0.70 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 -0.15 0.55 0.00 0.00 76 I 8.10 3.90 1.58 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.17 0.76 0.00 0.00 77 G 6.88 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 0.00 0.00 0.00 78 E 8.17 5.24 0.00 1.93 1.51 0.00 0.00 0.00 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 2.54 0.00 79 L 8.73 4.60 0.00 2.10 1.73 1.16 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 H 9.32 4.21 0.00 3.32 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.12 0.00 1.99 1.80 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 82 D 7.92 4.47 0.00 2.71 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 83 D 8.31 4.39 0.00 2.75 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 *84 R 7.87 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.