NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9426 8.3549 109.7367 45.1353 0.0000 176.7065 3 K 4.0826 9.1540 116.8731 54.1128 33.2938 174.7109 4 K 4.7048 7.9955 120.4858 55.0648 36.4101 176.1940 5 I 3.8518 8.2948 113.6611 62.5709 38.1836 176.2999 6 R 4.2161 7.8334 120.2568 55.9586 29.0604 175.8530 7 T 4.6248 7.7324 112.5058 59.0038 73.0540 173.8971 8 E 3.8087 8.6387 121.8808 59.5842 29.6203 178.8582 9 E 3.8879 7.9252 118.1154 59.2598 29.5069 179.3241 10 V 3.2866 7.6779 118.4181 65.5667 31.4830 177.5966 11 D 4.3595 7.8356 118.8050 57.9510 40.7228 178.7783 12 H 4.4934 7.9023 117.6213 58.1986 28.7040 177.4729 13 L 3.9596 7.8256 122.1476 58.4372 41.7728 179.1722 14 F 4.6724 8.1903 117.7297 60.6343 38.2825 177.3386 15 E 3.9614 8.5358 118.1543 59.4310 29.3023 179.3533 16 A 3.8311 7.8808 120.5463 55.2386 18.4469 179.7496 17 I 3.3652 7.6801 118.2684 64.4222 36.9704 178.6017 18 L 4.1262 8.1051 118.9866 56.7944 41.5279 178.1442 19 C 4.3714 7.4419 112.6285 57.4648 30.4457 173.8196 20 L 4.0917 7.3027 122.8786 54.9862 41.6723 176.9391 21 K 4.4178 9.0421 122.3653 57.0007 34.0316 175.8992 22 N 4.8900 7.4901 115.0385 50.8282 41.1900 175.0944 23 K 4.0709 8.6039 118.8963 59.5346 32.0260 179.3772 24 E 4.2044 8.3369 118.5949 59.6612 29.4801 179.1196 25 E 4.1341 8.9605 118.7421 59.3273 29.4486 179.2928 26 C 4.4402 8.0353 116.6289 63.0782 28.2198 175.5307 27 Y 4.1543 8.0493 118.2843 61.4681 37.2751 178.8930 28 T 3.9486 7.9108 115.2426 66.6685 68.9355 176.2486 29 F 4.2172 8.4006 122.2847 61.4738 39.5587 177.5171 30 F 4.0898 8.8116 117.4565 60.2239 38.4239 177.5374 31 E 4.1050 8.2949 117.7355 59.0235 29.2682 178.6586 32 D 4.3947 7.5990 118.6385 57.0655 41.0277 178.2901 33 V 3.7114 7.2498 116.5340 63.2808 32.0622 175.3803 34 C 5.0370 7.2736 115.0456 57.6301 30.9278 174.1660 35 T 4.2602 8.7152 113.4147 61.1707 70.5396 175.9383 36 I 3.7186 8.1968 121.7235 64.7978 37.0822 178.4706 37 N 4.3533 8.1383 116.6964 56.2831 38.3531 177.2468 38 E 3.9797 8.2319 120.1773 59.2521 29.5405 179.1356 39 L 3.9506 7.9350 120.3422 58.0572 42.1067 178.9281 40 L 4.0089 8.2320 119.2774 57.7768 41.4992 179.4699 41 S 4.0940 8.3265 113.2311 61.2646 62.3268 176.1778 42 L 4.0007 8.0957 121.7914 57.9551 41.3861 179.4691 43 S 4.1713 8.2591 113.1092 61.3284 62.1954 175.9648 44 Q 3.9923 8.4179 122.5325 59.3166 28.7402 178.4910 45 R 3.9352 8.0955 119.1520 59.1668 30.0740 178.8707 46 F 4.2615 8.4361 120.6045 61.1652 39.2204 176.7794 47 E 3.8192 8.2435 117.9844 59.1965 29.5280 178.5540 48 V 3.5795 7.7389 116.9239 66.0600 31.8987 177.2366 49 A 3.8308 7.8737 120.6193 54.9902 17.9193 179.6378 50 K 3.2156 7.4262 113.6713 57.3752 31.7233 178.2764 *52 L 4.2558 7.8411 119.6958 54.6368 43.4209 179.3265 53 T 3.8445 7.7261 107.3400 64.4802 68.7626 174.8866 54 D 4.4603 7.9240 119.6765 53.9820 40.7302 176.1225 55 K 3.8727 7.8405 117.6574 57.5295 29.8619 176.3347 56 R 4.2856 7.8520 116.3662 55.6179 31.2854 177.3147 57 T 4.3060 8.1115 110.7075 61.6856 71.0898 175.2509 58 Y 4.1204 8.6526 119.3171 61.0564 37.8000 178.6600 59 L 3.9683 7.9899 120.9227 58.0526 42.3285 178.0778 60 D 4.3360 7.7857 117.8271 57.5579 41.0362 178.3799 61 I 3.6177 7.7583 119.8784 64.4991 37.1348 178.2928 62 S 4.2483 8.3675 115.4714 60.8088 61.9571 175.9709 63 E 3.9378 8.2478 120.3933 59.4408 29.3378 179.0766 64 K 4.0985 8.0183 118.3776 59.0921 32.4353 178.1559 65 T 4.3558 8.2167 107.9641 61.2038 69.6524 175.8956 66 G 3.8867 8.2727 109.3195 45.1802 0.0000 173.6446 67 A 4.1521 7.7102 123.8834 51.5810 19.1935 177.7486 68 S 4.3610 8.3174 116.8084 57.9355 65.5839 175.6293 69 T 3.8394 8.4636 118.3445 66.7055 68.1693 176.4362 70 A 4.0100 8.0525 122.0656 55.6742 18.4412 179.7095 71 T 3.8165 7.7207 113.5123 66.7489 68.4711 177.0301 72 I 3.4878 7.7814 121.7985 64.3927 36.9983 178.3078 73 S 4.2206 8.5479 114.2181 61.5516 62.2027 176.2862 74 R 3.9166 8.0145 121.2473 59.3365 29.8484 178.6382 75 V 3.6514 7.8833 118.1692 65.9970 31.5319 177.4705 76 N 4.3489 8.5791 117.2794 56.6909 38.7922 176.8065 77 R 4.1435 8.3896 120.3025 59.6286 30.1251 178.7371 78 S 4.2508 8.2154 114.9853 61.4542 62.6244 176.2862 79 L 4.0611 8.3602 122.4925 58.0706 41.9274 178.1192 80 N 4.5406 7.9830 113.9318 53.9128 39.0548 175.4586 81 Y 4.9376 7.8889 115.6880 57.4572 40.6627 176.1338 82 G 4.1935 7.7265 109.8348 46.1761 0.0000 175.1955 83 N 4.6083 8.7507 121.3654 52.6017 37.8515 175.2688 84 D 4.6186 8.2406 117.1387 55.1137 38.5068 175.9762 85 G 3.7330 7.4570 111.0934 48.8559 0.0000 175.6045 86 Y 3.8980 7.8376 117.4679 60.9931 38.1385 180.3189 87 E 4.4571 7.4169 120.1816 56.1956 28.8976 179.6616 *89 V 4.0687 7.9333 113.8948 61.5424 33.8268 178.0518 90 F 4.6705 8.3335 118.1345 61.0371 39.2148 177.0176 91 S 4.3389 8.5526 116.4624 61.7903 62.8729 177.8153 92 R 4.4355 7.5363 119.2695 56.3985 28.0363 178.3705 *94 K 4.2880 8.2112 117.4515 56.1364 34.0200 177.9832 95 E 3.8188 8.5298 117.2411 60.0840 29.6765 179.1586 96 K 4.5061 7.8200 117.2221 58.9960 32.2224 176.4110 97 E 4.2484 7.5849 121.5991 56.7825 30.6858 175.0164 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 G 8.35 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 0.00 0.00 0.00 3 K 9.15 4.08 0.00 1.84 1.75 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 K 8.00 4.70 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.39 7.81 5 I 8.29 3.85 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.93 0.00 0.00 6 R 7.83 4.22 0.00 1.83 1.96 0.00 3.40 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 7 T 7.73 4.62 4.31 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 1.17 0.00 0.00 8 E 8.64 3.81 0.00 1.99 1.91 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 2.12 2.29 0.00 9 E 7.93 3.89 0.00 2.02 1.92 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 2.37 2.40 0.00 10 V 7.68 3.29 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 0.39 0.00 0.00 0.80 0.00 0.00 11 D 7.84 4.36 0.00 2.85 2.70 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 12 H 7.90 4.49 0.00 3.16 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.83 3.96 0.00 1.71 1.60 1.08 0.90 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 14 F 8.19 4.67 0.00 3.26 2.94 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 15 E 8.54 3.96 0.00 2.22 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 2.37 2.63 0.00 16 A 7.88 3.83 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 17 I 7.68 3.37 2.09 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 1.03 0.00 0.00 18 L 8.11 4.13 0.00 1.71 1.70 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.44 4.37 0.00 3.09 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 20 L 7.30 4.09 0.00 1.71 1.64 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.04 4.42 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 22 N 7.49 4.89 0.00 2.98 2.92 0.00 0.00 6.30 6.42 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 23 K 8.60 4.07 0.00 1.93 2.06 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.57 7.81 24 E 8.34 4.20 0.00 2.18 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 0.00 2.48 2.39 0.00 25 E 8.96 4.13 0.00 2.17 2.02 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 2.36 2.59 0.00 26 C 8.04 4.44 0.00 3.17 3.06 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 27 Y 8.05 4.15 0.00 3.26 3.05 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 28 T 7.91 3.95 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 29 F 8.40 4.22 0.00 3.04 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 30 F 8.81 4.09 0.00 3.20 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 31 E 8.29 4.11 0.00 2.16 2.06 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 2.45 2.57 0.00 32 D 7.60 4.39 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.25 3.71 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 0.73 0.00 0.00 -0.13 0.00 0.00 34 C 7.27 5.04 0.00 3.14 2.83 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 35 T 8.72 4.26 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 1.21 0.00 0.00 36 I 8.20 3.72 1.89 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 1.67 0.65 0.94 0.00 0.00 37 N 8.14 4.35 0.00 2.74 2.88 0.00 0.00 7.12 7.66 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 38 E 8.23 3.98 0.00 2.20 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 2.34 2.32 0.00 39 L 7.93 3.95 0.00 1.81 1.68 0.73 0.70 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 40 L 8.23 4.01 0.00 1.74 1.72 0.94 1.07 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 41 S 8.33 4.09 0.00 3.96 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 42 L 8.10 4.00 0.00 1.85 1.65 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.26 4.17 0.00 3.88 4.01 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 44 Q 8.42 3.99 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 45 R 8.10 3.94 0.00 2.21 2.13 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 46 F 8.44 4.26 0.00 3.29 3.32 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 47 E 8.24 3.82 0.00 2.17 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 2.28 2.31 0.00 48 V 7.74 3.58 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 0.70 0.00 0.00 0.87 0.00 0.00 49 A 7.87 3.83 0.35 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 50 K 7.43 3.22 0.00 1.42 1.67 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.66 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.17 1.15 7.81 *52 L 7.84 4.26 0.00 1.81 1.70 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.73 3.84 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 1.35 0.00 0.00 54 D 7.92 4.46 0.00 2.60 2.66 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 0.00 55 K 7.84 3.87 0.00 1.89 1.91 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.52 7.81 56 R 7.85 4.29 0.00 1.77 1.98 0.00 3.41 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 57 T 8.11 4.31 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 1.22 0.00 0.00 58 Y 8.65 4.12 0.00 2.98 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 59 L 7.99 3.97 0.00 1.79 1.69 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.79 4.34 0.00 2.74 2.82 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 61 I 7.76 3.62 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.75 0.00 0.00 62 S 8.37 4.25 0.00 3.86 3.98 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 0.00 0.00 0.00 63 E 8.25 3.94 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 64 K 8.02 4.10 0.00 1.72 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.65 7.81 65 T 8.22 4.36 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 1.20 0.00 0.00 66 G 8.27 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 0.00 0.00 0.00 67 A 7.71 4.15 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 68 S 8.32 4.36 0.00 4.07 4.02 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 69 T 8.46 3.84 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 1.42 0.00 0.00 70 A 8.05 4.01 1.34 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 0.00 0.00 0.00 71 T 7.72 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 1.25 0.00 0.00 72 I 7.78 3.49 1.45 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.60 -0.30 0.00 0.00 73 S 8.55 4.22 0.00 4.03 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 74 R 8.01 3.92 0.00 1.98 2.09 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 75 V 7.88 3.65 2.11 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 0.68 0.00 0.00 1.05 0.00 0.00 76 N 8.58 4.35 0.00 2.96 3.05 0.00 0.00 6.87 7.20 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 77 R 8.39 4.14 0.00 2.06 2.17 0.00 3.41 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 78 S 8.22 4.25 0.00 4.28 4.11 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 79 L 8.36 4.06 0.00 1.79 1.85 0.93 0.94 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 80 N 7.98 4.54 0.00 2.62 2.00 0.00 0.00 6.85 7.47 0.00 0.00 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 Y 7.89 4.94 0.00 3.15 2.91 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 82 G 7.73 4.19 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 0.00 83 N 8.75 4.61 0.00 2.71 2.81 0.00 0.00 6.87 8.08 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 84 D 8.24 4.62 0.00 2.85 2.74 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 85 G 7.46 3.73 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 0.00 0.00 0.00 86 Y 7.84 3.90 0.00 2.84 2.32 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 87 E 7.42 4.46 0.00 2.17 2.00 0.00 0.00 0.00 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 2.50 0.00 *89 V 7.93 4.07 2.12 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 0.79 0.00 0.00 1.02 0.00 0.00 90 F 8.33 4.67 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.34 0.00 3.94 3.95 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 0.00 0.00 0.00 92 R 7.54 4.44 0.00 2.00 1.91 0.00 3.11 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 *94 K 8.21 4.29 0.00 2.10 1.90 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.65 7.81 95 E 8.53 3.82 0.00 2.16 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 2.48 0.00 96 K 7.82 4.51 0.00 1.92 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.64 7.81 97 E 7.58 4.25 0.00 2.07 1.78 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 2.25 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.