NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 E 4.2498 8.4331 116.7541 56.0766 31.6753 174.9104 6 G 4.3200 8.2130 103.4706 46.3551 0.0000 172.0999 7 A 4.6859 7.8592 120.7032 49.4344 23.0576 175.1203 8 V 3.9975 8.1666 120.7292 62.9532 32.5887 175.3895 9 I 4.3665 8.8722 129.2683 59.5525 38.7361 174.7938 10 A 4.4535 8.5941 130.2163 51.8478 19.0119 176.3188 11 C 4.6433 8.8219 122.2020 59.2227 28.4766 173.8418 12 H 4.8139 9.7476 122.0243 56.2313 29.4445 175.9512 13 T 4.7986 7.4233 109.4531 58.7236 73.2087 174.3561 14 K 4.0110 8.6146 122.3110 59.7801 32.2020 178.6140 15 Q 4.0263 8.1685 119.3713 59.1630 28.9908 177.8906 16 E 3.9375 8.3750 120.1743 59.2166 29.6665 178.2746 17 F 4.1757 8.3709 120.6620 61.7825 39.4246 176.9022 18 D 4.2282 8.7763 118.6653 57.5210 40.5092 178.7489 19 T 3.8270 8.0898 113.7280 65.4440 67.2856 176.1015 20 H 4.1427 7.9475 117.7394 58.8723 28.6453 177.6446 21 M 3.7910 7.9690 120.5226 58.3008 31.6840 178.5910 22 A 3.9290 8.2485 121.2077 55.0959 18.5127 179.0648 23 N 4.2837 8.4038 115.8273 56.7477 39.0108 177.1832 24 G 3.5896 8.1582 107.0724 47.6903 0.0000 175.3583 25 K 3.8558 8.0922 122.6897 59.2388 31.9996 178.2800 26 D 4.3481 8.2168 117.4079 57.1330 41.2886 177.4018 27 T 4.3618 7.9459 107.2248 61.0787 69.2920 175.2088 28 G 3.8708 7.5102 108.9528 46.4262 0.0000 173.6363 29 K 4.4800 7.6413 118.1721 54.6070 33.6171 176.6796 30 L 4.2664 8.4009 125.3741 55.1738 43.6695 175.4991 31 V 4.6933 8.6561 125.4560 61.0397 34.4673 174.0519 32 I 4.5478 8.3703 128.4857 59.4746 39.9442 174.3275 33 I 4.5765 8.5275 128.8359 59.5590 39.3771 174.4181 34 D 3.9187 8.6850 128.2396 52.4682 42.0525 175.3234 35 F 4.5689 8.6092 127.2122 57.0969 39.9679 175.0672 36 T 4.8031 8.8802 118.1131 60.3593 71.9177 171.9627 37 A 4.7226 7.5683 123.1382 50.2764 21.8457 177.8621 38 S 4.0428 8.7299 117.1930 60.6335 63.1452 175.4784 39 W 4.4513 7.2821 115.2249 57.0617 28.8494 176.0885 40 C 4.5743 7.3150 120.8054 57.9181 31.4910 173.5172 41 G 3.7597 8.7797 115.5950 47.8512 0.0000 172.4168 42 P 4.3095 0.0000 0.0000 65.2724 31.2968 178.4658 43 C 4.0441 7.9230 114.8902 62.8683 27.8613 176.0442 44 R 3.8844 7.7051 118.3240 59.3344 29.7221 178.9967 45 V 3.7187 7.5388 116.8287 65.9720 31.8547 177.5425 46 I 3.9600 7.8849 117.3579 62.7119 37.8815 177.2635 47 A 4.0843 7.9021 122.5741 55.1061 18.1291 177.8981 48 P 4.2191 0.0000 0.0000 65.7271 31.2897 178.7039 49 V 3.2578 7.6767 117.6974 65.7502 31.5032 177.5504 50 F 4.1970 8.3902 120.2124 61.2210 39.1033 176.8425 51 A 3.8414 8.1759 120.3513 55.3118 18.1974 179.5261 52 E 3.8182 8.2089 117.1322 59.5972 29.4028 179.1374 53 Y 4.4863 7.9806 116.9885 61.0848 37.7839 178.3483 54 A 2.5800 7.0621 121.4515 54.7324 18.0687 179.9293 55 K 3.8549 7.2747 115.8323 59.3951 32.1860 179.5772 56 K 3.9591 7.7384 118.0169 57.7407 33.4973 177.4572 57 F 5.0091 8.0042 117.3971 55.0643 38.9154 174.0706 58 P 4.4076 0.0000 0.0000 65.0261 31.7643 178.4711 59 G 3.8178 8.2367 106.0569 46.2827 0.0000 172.7336 60 A 4.9552 8.0519 121.0275 50.0555 22.4022 175.6398 61 I 4.4465 8.5002 120.4960 59.7006 39.6648 174.9426 62 F 4.9828 8.9908 125.7353 55.9059 41.0625 174.3602 63 L 5.2279 9.0705 124.8247 52.7902 44.4781 175.5674 64 K 4.7853 8.9870 124.1532 54.5395 34.9289 174.7395 65 V 4.3749 8.2355 127.5338 60.8365 34.2081 173.8201 66 D 4.8995 8.5449 128.6617 53.7392 41.1902 177.4388 67 V 3.6968 8.9359 120.9141 64.1752 31.7996 177.8330 68 D 4.6557 8.3985 118.2831 55.6195 41.3966 177.9185 69 E 4.2679 8.3264 118.8312 57.7204 31.6574 177.1787 70 L 4.6471 7.6922 120.1046 53.0495 39.2288 177.1581 71 K 4.2782 8.1134 123.3572 58.7634 32.5046 178.5462 72 D 4.3409 7.9994 119.1836 56.3129 39.5069 178.7260 73 V 3.5560 7.7097 118.9943 65.6271 31.6447 177.6157 74 A 3.6633 8.0386 120.5654 55.0288 18.1880 179.1602 75 E 3.7765 8.3154 117.5271 59.5002 29.5344 178.9412 76 A 3.9192 8.0360 119.5532 54.7517 18.3838 178.1529 77 Y 4.2404 7.5304 112.6829 56.8310 38.2664 175.1976 78 N 4.0805 8.0104 116.0092 53.9651 36.7893 174.7777 79 V 3.5473 7.5073 118.1225 63.2594 31.6055 175.1329 80 E 4.6766 8.6419 124.1334 55.5935 31.2243 175.0893 81 A 4.7405 7.3913 120.9242 51.1951 22.3884 176.0613 82 M 4.7098 8.3778 119.5481 52.6702 35.2510 174.2199 83 P 4.6035 0.0000 0.0000 62.7937 33.7123 174.8840 84 T 4.9870 8.1701 116.7000 61.8398 72.1408 172.9433 85 F 5.0704 9.4449 125.5222 55.9447 41.0657 174.7095 86 L 5.2625 8.7935 124.3603 53.1072 44.5099 175.4761 87 F 5.1118 9.3373 121.5223 55.7627 41.7223 174.5323 88 I 5.1021 9.0387 124.5897 59.3709 40.6070 174.5934 89 K 4.6452 8.7668 127.1677 55.4013 35.9154 175.7805 90 D 4.6500 9.9733 125.6852 55.3863 38.4557 175.0370 91 G 4.0346 8.5649 107.2899 45.3077 0.0000 174.0405 92 E 4.7400 7.6101 118.7990 53.8870 31.6664 175.3616 93 K 4.6438 8.7090 123.5471 56.9777 32.7097 176.7810 94 V 4.4888 8.7029 118.2257 61.5249 34.2564 174.4349 95 D 4.7047 8.0625 118.5725 54.1230 44.6080 173.7153 96 S 5.5138 8.3927 113.4495 57.4204 65.8578 174.0730 97 V 4.5306 9.3381 121.5809 61.3264 34.4220 174.1412 98 V 4.4587 8.8358 128.1243 62.7455 32.5355 176.3867 99 G 4.0750 9.4904 113.8979 45.3434 0.0000 173.9385 100 G 3.9890 8.2064 108.3467 44.5711 0.0000 176.5135 101 R 4.3957 7.4447 118.9283 54.4540 30.0991 176.9153 102 K 4.0189 8.3500 123.3342 59.5005 32.3411 178.1840 103 D 4.3616 8.0919 117.4812 57.4776 41.2735 177.5253 104 D 4.3858 8.1967 118.9217 57.5701 40.8484 178.8892 105 I 3.8149 7.8726 119.9646 64.6336 37.1692 177.8483 106 H 3.6133 8.1478 118.9421 59.5110 29.5999 177.1733 107 T 3.8169 8.2024 117.7580 66.7785 68.2662 176.7290 108 K 3.7016 8.0231 120.1937 59.1558 31.9345 179.4923 109 I 3.5212 7.5802 120.0731 64.3168 36.8440 178.6328 110 V 3.4679 7.4039 118.6460 65.9389 31.1343 177.9490 111 A 3.9384 7.8032 119.4418 55.1022 18.3103 179.2732 112 L 4.0906 7.7735 116.2191 57.5363 41.8361 179.1337 113 M 4.3421 7.9567 118.4690 57.9677 31.9529 176.5460 114 G 3.7369 7.7842 112.0701 46.0402 0.0000 172.6797 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 *5 E 8.43 4.25 0.00 2.01 1.89 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 2.13 1.89 0.00 6 G 8.21 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 0.00 0.00 0.00 0.00 7 A 7.86 4.69 1.18 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 8 V 8.17 4.00 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 1.05 0.00 0.00 0.83 0.00 0.00 9 I 8.87 4.37 1.77 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 1.10 0.74 0.71 0.00 0.00 10 A 8.59 4.45 1.14 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 11 C 8.82 4.64 0.00 2.90 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 12 H 9.75 4.81 0.00 3.13 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.42 4.80 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 1.25 0.00 0.00 14 K 8.61 4.01 0.00 1.89 1.91 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.81 1.62 7.81 15 Q 8.17 4.03 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 16 E 8.37 3.94 0.00 2.16 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 2.42 2.41 0.00 17 F 8.37 4.18 0.00 3.16 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 18 D 8.78 4.23 0.00 2.91 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 19 T 8.09 3.83 4.20 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 1.17 0.00 0.00 20 H 7.95 4.14 0.00 3.13 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.97 3.79 0.00 1.76 1.91 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.73 0.00 22 A 8.25 3.93 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 23 N 8.40 4.28 0.00 2.86 2.98 0.00 0.00 7.11 8.42 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 24 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.86 0.00 1.81 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 26 D 8.22 4.35 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 27 T 7.95 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 1.29 0.00 0.00 28 G 7.51 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.64 4.48 0.00 1.66 1.73 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.38 7.81 30 L 8.40 4.27 0.00 1.74 1.45 1.05 0.75 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 31 V 8.66 4.69 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 0.67 0.00 0.00 0.89 0.00 0.00 32 I 8.37 4.55 1.29 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.13 0.55 0.00 0.00 33 I 8.53 4.58 1.48 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 -0.04 0.00 0.00 34 D 8.68 3.92 0.00 1.58 1.81 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 35 F 8.61 4.57 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.80 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 1.09 0.00 0.00 37 A 7.57 4.72 -0.13 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 38 S 8.73 4.04 0.00 3.87 3.94 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 0.00 0.00 0.00 0.00 39 W 7.28 4.45 0.00 3.46 3.21 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 40 C 7.31 4.57 0.00 1.68 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 41 G 8.78 3.76 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 0.00 0.00 0.00 42 P 0.00 4.31 0.00 2.18 2.16 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 43 C 7.92 4.04 0.00 2.99 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 44 R 7.71 3.88 0.00 1.98 1.99 0.00 3.26 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 45 V 7.54 3.72 2.24 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 0.81 0.00 0.00 1.01 0.00 0.00 46 I 7.88 3.96 1.98 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 1.64 1.42 1.19 0.00 0.00 47 A 7.90 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.22 0.00 2.24 2.30 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 49 V 7.68 3.26 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 0.54 0.00 0.00 0.85 0.00 0.00 50 F 8.39 4.20 0.00 3.23 3.30 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 51 A 8.18 3.84 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 52 E 8.21 3.82 0.00 1.93 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 2.44 2.42 0.00 53 Y 7.98 4.49 0.00 2.99 3.10 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 54 A 7.06 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.27 3.85 0.00 1.73 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.55 7.81 56 K 7.74 3.96 0.00 1.69 1.16 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.62 7.81 57 F 8.00 5.01 0.00 3.40 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 58 P 0.00 4.41 0.00 2.19 2.18 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 59 G 8.24 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.05 4.96 1.22 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 0.00 0.00 0.00 61 I 8.50 4.45 1.80 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 1.25 0.76 0.88 0.00 0.00 62 F 8.99 4.98 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.07 5.23 0.00 1.52 1.56 0.74 0.43 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 64 K 8.99 4.79 0.00 1.88 1.63 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 1.22 7.81 65 V 8.24 4.37 1.28 0.00 0.00 0.00 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 0.56 0.00 0.00 66 D 8.54 4.90 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 3.70 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 0.88 0.00 0.00 1.07 0.00 0.00 68 D 8.40 4.66 0.00 2.91 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 69 E 8.33 4.27 0.00 1.98 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 2.40 2.42 0.00 70 L 7.69 4.65 0.00 1.65 1.51 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.11 4.28 0.00 1.80 1.87 0.00 1.96 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.74 1.38 7.81 72 D 8.00 4.34 0.00 2.87 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 73 V 7.71 3.56 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 0.53 0.00 0.00 0.77 0.00 0.00 74 A 8.04 3.66 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 75 E 8.32 3.78 0.00 2.13 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 0.00 2.28 2.33 0.00 76 A 8.04 3.92 1.23 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 0.00 0.00 0.00 77 Y 7.53 4.24 0.00 2.71 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 78 N 8.01 4.08 0.00 2.83 2.85 0.00 0.00 6.84 7.27 0.00 0.00 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 V 7.51 3.55 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 -0.06 0.00 0.00 80 E 8.64 4.68 0.00 1.93 1.88 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 2.18 2.41 0.00 81 A 7.39 4.74 1.23 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 0.00 0.00 0.00 82 M 8.38 4.71 0.00 1.68 1.88 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 83 P 0.00 4.60 0.00 1.51 1.90 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 84 T 8.17 4.99 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 1.23 0.00 0.00 85 F 9.44 5.07 0.00 3.08 2.84 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 0.00 0.00 0.00 0.00 86 L 8.79 5.26 0.00 1.65 1.64 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.34 5.11 0.00 3.01 2.97 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 0.00 0.00 0.00 88 I 9.04 5.10 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.97 0.96 0.00 0.00 89 K 8.77 4.65 0.00 1.85 1.59 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 90 D 9.97 4.65 0.00 2.85 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 91 G 8.56 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 0.00 0.00 0.00 92 E 7.61 4.74 0.00 2.09 1.89 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 2.27 2.44 0.00 93 K 8.71 4.64 0.00 1.97 1.86 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.63 7.81 94 V 8.70 4.49 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 0.81 0.00 0.00 1.04 0.00 0.00 95 D 8.06 4.70 0.00 2.57 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 0.00 0.00 0.00 96 S 8.39 5.51 0.00 4.03 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 97 V 9.34 4.53 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 1.20 0.00 0.00 1.08 0.00 0.00 98 V 8.84 4.46 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 0.88 0.00 0.00 0.99 0.00 0.00 99 G 9.49 4.08 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 0.00 100 G 8.21 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 0.00 101 R 7.44 4.40 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.41 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 102 K 8.35 4.02 0.00 1.86 1.99 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.54 7.81 103 D 8.09 4.36 0.00 2.79 2.69 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 0.00 104 D 8.20 4.39 0.00 2.91 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 0.00 105 I 7.87 3.81 2.15 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 1.04 0.00 0.00 106 H 8.15 3.61 0.00 2.98 3.42 0.00 5.60 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 0.00 107 T 8.20 3.82 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 1.16 0.00 0.00 108 K 8.02 3.70 0.00 1.48 0.81 0.00 1.19 0.00 0.00 0.99 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.15 1.45 7.81 109 I 7.58 3.52 1.32 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 -0.43 0.00 0.00 110 V 7.40 3.47 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 1.02 0.00 0.00 0.87 0.00 0.00 111 A 7.80 3.94 1.22 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 0.00 0.00 0.00 112 L 7.77 4.09 0.00 1.63 1.70 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 113 M 7.96 4.34 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 114 G 7.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.