NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8823 8.3393 109.7381 45.5143 0.0000 176.7484 0 S 4.6151 8.8894 121.7195 56.5043 66.3029 170.6844 1 M 5.2461 9.1972 119.6835 53.5732 35.7491 176.5432 2 K 4.8984 9.0385 120.3457 54.5778 37.1456 175.1442 3 K 4.6922 9.2772 125.7025 55.3435 33.8320 175.2618 4 V 4.6729 9.0402 128.6492 61.6280 33.2295 174.0804 5 E 5.2357 9.3557 128.3585 54.5130 32.2052 174.9547 6 A 4.9318 9.0883 126.2602 50.0684 22.4886 174.6722 7 I 4.8599 8.4619 124.1039 59.7780 39.0331 175.0289 8 I 5.1177 8.6347 120.4226 58.5384 41.8872 174.9624 9 R 4.2646 8.3614 120.8808 55.4590 30.6433 176.5571 10 P 4.2412 0.0000 0.0000 65.4720 31.5162 177.9595 11 E 4.2129 8.1069 113.8327 57.6217 30.0178 177.7592 12 K 4.3441 8.0418 119.2179 56.5198 32.4429 177.8873 13 L 3.9273 7.6288 121.7976 58.2335 42.0457 178.6377 14 E 3.9422 8.0828 117.8819 59.4558 29.4172 179.0876 15 I 3.6799 7.6544 118.1336 63.9593 38.0876 177.8452 16 V 3.5544 7.7839 119.1543 65.9323 31.3225 177.8553 17 K 3.9208 8.3544 119.6991 59.3348 31.9259 178.6916 18 K 3.9054 8.2586 119.6463 59.4294 32.0728 178.5849 19 A 4.0122 8.2750 121.3792 55.2838 18.2095 179.6256 20 L 4.0985 8.3385 117.8180 57.9386 41.7145 179.6548 21 S 4.1900 8.3370 113.1997 61.6856 62.1542 176.0343 22 D 4.4031 8.3256 120.3021 56.8758 40.6050 177.7002 23 A 4.3608 7.6402 118.6107 52.0829 18.9297 177.9425 24 G 3.5820 7.9380 106.1636 45.2373 0.0000 174.0174 25 Y 4.5235 7.6001 118.2685 56.6581 36.9524 175.3358 26 V 4.0665 8.1624 117.7978 61.4649 33.2419 176.7952 27 G 3.9225 8.0354 108.6938 44.7663 0.0000 172.4741 28 M 5.0892 8.2143 122.2177 53.4711 34.8839 174.4479 29 T 4.6907 8.8485 116.8572 61.8091 71.5792 173.3742 30 V 4.9459 8.4228 125.0502 61.2494 34.2498 174.6910 31 S 4.8296 9.0522 122.6829 56.7355 67.2626 172.8181 32 E 4.6983 8.7630 122.5173 55.7794 30.3191 175.8530 33 V 4.6635 8.6929 117.3811 59.4594 36.4282 174.3773 34 K 5.0266 8.5971 119.3099 55.4262 35.4894 176.8965 35 G 4.0708 8.7523 109.1065 45.8106 0.0000 171.9258 36 R 4.5006 8.6619 119.0840 56.7163 31.1282 177.3239 37 G 4.0354 8.4751 107.7321 47.4162 0.0000 174.2289 *53 V 3.8551 7.7994 115.2676 60.7239 32.2315 174.7888 54 D 4.7650 8.6095 123.1436 54.5656 43.1451 175.3624 55 L 4.9260 7.8223 117.7593 53.8857 42.5962 176.2050 56 I 4.6287 9.0147 117.4145 58.1096 40.9877 173.1792 57 P 4.8264 0.0000 0.0000 62.9417 31.9414 175.8024 58 K 4.7642 9.2642 122.4740 54.7902 37.4337 174.9791 59 V 4.7721 8.6486 120.9502 61.0942 34.3411 173.9545 60 K 4.9161 9.1215 129.6642 55.0850 33.9511 174.7458 61 I 4.8817 8.8623 128.8665 59.7271 39.7798 174.5205 62 E 5.2635 9.3423 126.0144 54.3894 33.0331 174.7962 63 L 4.9575 9.0625 124.8128 53.8824 43.8595 175.4307 64 V 4.7368 8.4868 122.8554 61.6237 32.7448 175.0255 65 V 4.7131 8.7387 120.2550 59.0217 36.7090 175.2666 66 K 4.3987 8.6429 120.9582 56.5475 32.8806 177.8069 67 E 3.9120 9.0564 123.7768 59.7370 29.2109 179.4190 68 E 4.0981 8.1931 115.5514 58.7104 29.9976 177.6397 69 D 4.7334 8.1143 118.7467 54.4601 41.2589 178.3842 70 V 3.4999 7.5119 119.7777 66.1585 31.4965 177.4060 71 D 4.3216 8.0657 117.9979 57.4354 40.6960 178.2458 72 N 4.2715 8.0856 116.8963 56.6139 39.0337 176.8100 73 V 3.3157 7.6923 119.5594 65.9960 31.4911 177.9486 74 I 3.6271 7.8421 119.6090 64.4401 36.8938 178.0022 75 D 4.3399 8.2497 119.7453 57.5449 40.7282 179.0025 76 I 3.6971 7.7999 120.0081 64.4630 37.0507 178.6220 77 I 3.6606 7.8218 120.5010 64.5209 36.9829 178.2752 78 C 4.0538 8.2027 117.6547 62.7603 27.7655 175.5775 79 E 3.8964 8.0165 119.4876 59.4596 29.3089 178.1467 80 N 4.6066 7.9928 113.1794 54.2375 39.1358 176.3454 81 A 4.4214 7.9934 121.1492 51.8412 20.0218 177.6683 82 R 4.2994 7.1497 113.6258 56.3189 30.2023 176.6426 83 T 4.4143 8.9460 107.8395 60.5698 70.1971 175.2201 84 G 3.9274 8.7859 109.4343 45.2655 0.0000 172.6220 85 N 4.9829 7.6348 116.5543 50.2385 40.8985 172.6523 86 P 4.2761 0.0000 0.0000 64.7743 31.7724 176.7524 87 G 4.0858 8.9019 109.9569 45.5046 0.0000 174.2491 88 D 4.2879 7.3616 121.1856 55.7981 41.0127 174.9085 89 G 4.1900 7.9776 101.8875 44.5793 0.0000 172.4148 90 K 4.5925 8.1773 115.6726 54.6792 36.8031 175.5900 91 I 4.5950 7.9593 122.4531 59.4342 40.0365 174.9238 92 F 5.1955 9.0129 124.9779 55.6751 42.3236 174.2874 93 V 4.8752 8.5751 122.2723 61.2759 33.3948 174.6509 94 I 4.7549 8.8551 128.9710 58.4355 40.4410 173.3009 95 P 4.5950 0.0000 0.0000 62.9403 32.0012 175.6305 96 V 4.3501 8.0691 123.0427 61.3951 32.6302 175.2714 97 E 4.2877 9.0199 127.4099 58.0591 30.1640 176.5898 98 R 4.6667 7.5260 116.7688 54.6923 33.2641 173.9085 99 V 4.5327 8.2924 122.8166 59.8945 34.5428 174.2360 100 V 4.8390 8.3527 124.0517 60.8506 34.4590 174.4725 101 R 4.1464 8.9441 129.1415 55.7755 30.5132 177.1799 102 V 3.5888 8.6687 126.7991 66.1070 31.9258 177.0721 103 R 4.0456 8.1221 118.5737 58.8777 30.0418 176.8796 104 T 4.2850 7.7879 104.7919 60.5780 69.9658 174.8876 105 K 3.9094 8.2524 119.6250 56.9401 30.6257 175.4060 106 E 4.0948 7.7691 118.4848 56.7696 29.8304 175.8457 107 E 5.7049 7.6466 119.1627 53.4705 34.4986 177.9189 108 G 3.7063 8.4872 107.9043 46.4792 0.0000 176.1658 109 K 3.9970 8.6260 117.9212 59.5422 32.0796 178.7192 110 E 3.9761 8.1662 118.3196 59.2978 29.2633 178.9958 111 A 4.1153 7.7965 119.5105 54.7661 18.4494 179.2448 112 L 4.1699 7.4449 116.7830 56.1009 42.0252 177.7490 113 L 4.0884 6.9927 118.8580 54.5189 42.0406 175.9854 114 E 4.5007 8.7265 126.7073 55.7071 31.0881 175.9942 *115 H 4.5061 8.5132 120.6139 54.7302 29.1182 171.9780 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 -1 G 8.34 3.88 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 0.00 0.00 0.00 0 S 8.89 4.62 0.00 3.98 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 1 M 9.20 5.25 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 2 K 9.04 4.90 0.00 1.59 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 K 9.28 4.69 0.00 1.79 1.69 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 4 V 9.04 4.67 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 0.92 0.00 0.00 0.87 0.00 0.00 5 E 9.36 5.24 0.00 2.04 1.90 0.00 0.00 0.00 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 2.32 0.00 6 A 9.09 4.93 1.10 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 0.00 0.00 7 I 8.46 4.86 1.79 0.00 0.00 0.90 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 1.07 0.91 0.00 0.00 8 I 8.63 5.12 1.84 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 1.32 0.71 0.86 0.00 0.00 9 R 8.36 4.26 0.00 1.88 2.20 0.00 3.12 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 10 P 0.00 4.24 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 11 E 8.11 4.21 0.00 2.07 2.07 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 2.27 2.27 0.00 12 K 8.04 4.34 0.00 1.94 1.85 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.75 7.81 13 L 7.63 3.93 0.00 1.75 1.75 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.08 3.94 0.00 2.01 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 2.40 2.31 0.00 15 I 7.65 3.68 1.87 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 1.52 1.50 0.99 0.00 0.00 16 V 7.78 3.55 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 1.01 0.00 0.00 1.00 0.00 0.00 17 K 8.35 3.92 0.00 1.91 2.04 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 K 8.26 3.91 0.00 1.98 1.99 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 19 A 8.28 4.01 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 20 L 8.34 4.10 0.00 1.74 1.99 0.91 0.63 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 21 S 8.34 4.19 0.00 4.05 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 22 D 8.33 4.40 0.00 2.87 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 23 A 7.64 4.36 1.44 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 0.00 0.00 24 G 7.94 3.58 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 0.00 0.00 0.00 25 Y 7.60 4.52 0.00 3.10 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 26 V 8.16 4.07 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 0.70 0.00 0.00 0.94 0.00 0.00 27 G 8.04 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 0.00 0.00 0.00 28 M 8.21 5.09 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 29 T 8.85 4.69 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 30 V 8.42 4.95 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 0.82 0.00 0.00 0.93 0.00 0.00 31 S 9.05 4.83 0.00 3.76 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 32 E 8.76 4.70 0.00 1.85 1.90 0.00 0.00 0.00 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 2.33 0.00 33 V 8.69 4.66 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 0.79 0.00 0.00 0.98 0.00 0.00 34 K 8.60 5.03 0.00 1.59 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 8.75 4.07 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 0.00 0.00 0.00 36 R 8.66 4.50 0.00 1.82 1.87 0.00 3.36 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 37 G 8.48 4.04 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 0.00 0.00 0.00 *53 V 7.80 3.86 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 0.75 0.00 0.00 0.93 0.00 0.00 54 D 8.61 4.77 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.93 0.00 1.57 1.59 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.01 4.63 1.87 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 1.31 0.98 0.91 0.00 0.00 57 P 0.00 4.83 0.00 1.96 2.03 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 58 K 9.26 4.76 0.00 1.60 1.75 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 59 V 8.65 4.77 2.07 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 1.03 0.00 0.00 0.93 0.00 0.00 60 K 9.12 4.92 0.00 1.85 1.67 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 I 8.86 4.88 1.84 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 1.22 0.54 0.90 0.00 0.00 62 E 9.34 5.26 0.00 1.85 1.82 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 2.23 2.23 0.00 63 L 9.06 4.96 0.00 1.63 1.81 0.80 0.59 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 64 V 8.49 4.74 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 0.83 0.00 0.00 0.94 0.00 0.00 65 V 8.74 4.71 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 0.68 0.00 0.00 0.87 0.00 0.00 66 K 8.64 4.40 0.00 2.02 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.06 3.91 0.00 2.15 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 2.49 0.00 68 E 8.19 4.10 0.00 2.18 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 2.31 2.44 0.00 69 D 8.11 4.73 0.00 2.91 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 70 V 7.51 3.50 2.16 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 1.09 0.00 0.00 0.95 0.00 0.00 71 D 8.07 4.32 0.00 2.76 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 72 N 8.09 4.27 0.00 2.88 3.03 0.00 0.00 6.80 7.71 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 73 V 7.69 3.32 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 0.76 0.00 0.00 0.06 0.00 0.00 74 I 7.84 3.63 1.98 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 1.47 0.53 0.87 0.00 0.00 75 D 8.25 4.34 0.00 2.86 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 76 I 7.80 3.70 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 0.94 0.00 0.00 77 I 7.82 3.66 1.81 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 1.47 0.71 0.85 0.00 0.00 78 C 8.20 4.05 0.00 3.13 2.95 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 79 E 8.02 3.90 0.00 2.20 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 2.33 2.36 0.00 80 N 7.99 4.61 0.00 2.83 2.85 0.00 0.00 7.00 7.36 0.00 0.00 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 A 7.99 4.42 1.32 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 82 R 7.15 4.30 0.00 1.93 2.04 0.00 3.09 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.55 0.00 83 T 8.95 4.41 4.23 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 1.20 0.00 0.00 84 G 8.79 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 85 N 7.63 4.98 0.00 2.85 2.71 0.00 0.00 6.95 7.55 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 86 P 0.00 4.28 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 87 G 8.90 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.36 4.29 0.00 2.78 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 89 G 7.98 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 90 K 8.18 4.59 0.00 1.31 1.27 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 91 I 7.96 4.59 1.75 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 1.21 0.46 0.83 0.00 0.00 92 F 9.01 5.20 0.00 2.91 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 93 V 8.58 4.88 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.86 4.75 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.91 0.00 0.00 95 P 0.00 4.60 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.58 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 96 V 8.07 4.35 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 0.83 0.00 0.00 0.97 0.00 0.00 97 E 9.02 4.29 0.00 2.00 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 2.28 2.29 0.00 98 R 7.53 4.67 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 99 V 8.29 4.53 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 0.75 0.00 0.00 0.94 0.00 0.00 100 V 8.35 4.84 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 0.86 0.00 0.00 0.93 0.00 0.00 101 R 8.94 4.15 0.00 1.93 1.79 0.00 3.16 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 102 V 8.67 3.59 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 0.82 0.00 0.00 0.93 0.00 0.00 103 R 8.12 4.05 0.00 1.81 1.94 0.00 3.26 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 1.61 1.62 0.00 104 T 7.79 4.29 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 1.21 0.00 0.00 105 K 8.25 3.91 0.00 1.94 1.94 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 106 E 7.77 4.09 0.00 2.07 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 2.33 2.29 0.00 107 E 7.65 5.70 0.00 1.90 1.84 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 2.20 2.22 0.00 108 G 8.49 3.71 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 0.00 0.00 0.00 109 K 8.63 4.00 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 110 E 8.17 3.98 0.00 2.21 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 2.40 2.44 0.00 111 A 7.80 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.17 0.00 1.79 1.77 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 L 6.99 4.09 0.00 1.76 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.73 4.50 0.00 1.91 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 2.24 2.35 0.00 *115 H 8.51 4.51 0.00 2.91 2.74 0.00 7.29 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 * Residues marked with a * may have inaccurate shift predictions.