NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.2801 0.0000 0.0000 62.6266 31.5079 175.5119 8 A 4.2389 8.1102 126.8701 50.0629 20.1085 171.3886 9 V 4.1535 8.0454 121.3179 62.6427 33.0945 173.5901 10 E 5.1083 8.8017 125.9496 54.6095 32.6990 174.8671 11 S 5.7666 9.0482 115.0665 57.1555 66.5513 172.7319 12 R 4.8239 9.0528 115.9886 56.0489 33.2177 173.4540 13 L 4.8660 8.2370 119.4381 53.0624 43.5114 176.1744 14 V 4.0999 8.7048 124.7350 62.2574 33.5933 176.6732 15 G 3.9248 9.1818 115.6279 45.1468 0.0000 173.5956 16 G 4.3765 7.7571 108.2781 43.9977 0.0000 174.8815 17 S 4.1467 8.3324 113.7987 59.6192 62.8207 173.6707 18 S 4.6112 7.5144 115.5379 56.9350 65.8673 174.4302 19 I 3.8614 8.1388 112.3848 62.8205 37.7230 177.0947 20 C 4.6522 8.0172 118.8220 57.1241 35.1880 172.7088 21 E 4.9548 7.8476 119.3338 53.6402 33.5110 175.7707 22 G 3.6932 6.8535 110.4218 45.2527 0.0000 170.6838 23 T 4.6075 7.7746 110.3708 60.6705 70.7733 174.5405 24 V 4.0967 8.4561 125.4574 63.0609 32.5756 174.7008 25 E 5.3737 9.6312 127.4074 54.9367 33.2060 175.3221 26 V 5.4671 9.3102 114.3077 60.4412 36.9709 174.2853 27 R 4.5866 8.6620 117.7501 55.6005 33.4989 174.2479 28 Q 4.2485 8.2702 117.4953 54.0687 31.0623 174.1769 29 G 3.5761 6.9502 109.2009 44.2927 0.0000 171.1135 30 A 4.7171 8.0771 130.8538 50.4576 21.5729 174.8663 31 Q 4.4839 8.1881 113.5975 53.9994 30.9173 175.4227 32 W 4.6852 8.3574 119.0126 57.4018 29.8958 175.6051 33 A 4.8962 9.1525 123.4184 50.3621 22.8784 175.5589 34 A 4.5468 8.6541 120.8848 51.9093 20.0516 176.5847 35 L 4.7766 8.6458 123.2432 54.9627 43.5260 175.1351 36 C 5.0453 9.2075 125.0532 56.1353 40.8875 173.3932 37 D 4.4897 9.5317 125.2619 55.1535 41.2954 176.0531 *44 S 4.2249 8.6900 117.1258 58.5930 64.6378 176.2231 45 L 3.9898 7.3440 119.3809 57.6205 41.4008 179.3487 46 R 3.4920 7.3581 118.2848 59.1774 29.6501 178.3414 47 W 4.7414 6.9706 117.7024 59.1065 29.1638 178.2266 48 E 3.9662 7.7797 118.2652 59.4530 28.9428 178.6824 49 E 3.8762 8.1417 118.5693 59.5209 29.6263 178.9140 50 V 3.6446 7.4719 116.5855 66.1371 31.6803 177.4342 51 C 4.2505 8.5187 116.4691 60.0038 35.8739 175.5611 52 R 3.8536 8.4314 120.6909 59.9271 29.3790 178.0478 53 E 4.2064 8.5297 117.2474 59.0750 29.4115 178.1767 54 Q 4.1293 7.9901 116.7984 56.1593 28.6018 176.5434 55 Q 3.4162 8.2364 117.9923 57.1604 26.6283 172.7657 56 C 4.7667 7.7970 115.8051 54.3585 42.6700 175.0634 57 G 4.3658 8.8456 116.5798 46.4357 0.0000 177.2025 58 S 5.0174 8.7377 122.2758 56.0835 65.7306 172.6840 59 V 4.1067 8.2622 114.8589 61.6794 31.6094 176.2180 60 N 5.1246 8.3594 120.5007 52.7780 38.7295 174.3728 61 S 4.8447 7.7987 112.5131 58.2142 65.8131 174.1452 62 Y 5.5371 8.0515 118.3039 55.6781 40.9943 174.2260 63 R 4.6973 9.0260 117.0163 54.3720 33.5582 174.1667 64 V 4.3201 8.4769 121.2432 62.9135 32.3211 175.0601 65 L 4.6634 8.9280 127.9409 53.9375 44.7569 176.9304 66 D 4.3316 8.7518 119.5836 54.6418 38.2627 173.5734 67 A 4.0901 7.9851 121.2724 54.4020 18.4076 178.8076 68 G 3.9991 9.3071 110.3231 45.2916 0.0000 172.7533 69 D 4.5813 7.8737 120.1987 51.6980 40.6539 175.1394 70 P 2.9700 0.0000 0.0000 64.7578 31.5120 177.5200 71 T 4.4096 8.0295 108.3661 61.6400 69.6924 174.6862 72 S 4.6022 8.0730 119.5536 58.0363 63.4660 173.0826 73 R 5.1087 8.3563 122.6373 55.1897 32.7941 174.8884 74 G 4.2251 8.8201 106.2824 46.2436 0.0000 171.7063 75 L 5.6374 8.8474 119.3458 52.9938 45.4900 175.8181 76 F 5.1338 9.3125 123.3304 56.5893 42.7767 172.7160 77 C 4.6958 7.5373 124.3461 53.8684 45.7007 172.5532 78 P 3.3961 0.0000 0.0000 64.2970 31.4186 176.3533 79 H 4.3308 6.8552 117.2069 54.7452 29.6456 174.8540 80 Q 3.8988 8.4766 124.3932 58.7356 29.0674 177.0077 81 K 4.4572 8.4240 117.2195 53.9637 34.5555 177.2778 82 L 3.8929 8.4815 123.1684 57.9607 41.7175 179.7279 83 S 4.1650 7.9761 111.9784 60.5121 62.7679 174.8705 84 Q 4.4372 7.8172 118.2533 55.7009 28.6293 174.0765 85 C 4.7060 7.6618 118.6669 55.9742 44.8093 173.2997 86 H 4.3819 8.6701 124.3906 57.5494 29.0285 175.4228 87 E 4.7917 7.7106 118.2564 55.3939 32.3699 173.6965 88 L 4.8007 8.5577 125.9866 53.3595 43.7347 175.9287 89 W 5.1736 9.1509 122.3202 55.5040 31.8260 175.0693 90 E 4.8391 8.8713 122.0225 55.6944 30.5113 175.9959 91 R 4.4554 9.0579 124.8116 54.7707 32.0235 175.0714 92 N 4.8152 8.7557 123.0146 52.8078 39.0015 175.2629 93 S 4.7168 7.8747 109.8995 59.5033 65.1061 173.7870 94 Y 3.7225 8.2846 116.8805 59.1535 35.2487 171.0680 95 C 4.5299 8.2556 120.2328 56.6626 42.7183 172.9225 96 K 4.5929 8.8644 126.6149 56.0215 33.1315 177.1368 97 K 5.1234 8.7151 125.2297 54.5612 35.0133 175.5277 98 V 4.8084 8.0544 119.1891 61.2947 35.2093 173.5521 99 F 5.0215 9.3964 129.6138 56.4578 41.4747 174.1512 100 V 4.6147 8.1170 126.5158 61.1900 34.2186 173.9059 101 T 4.9049 8.7151 122.2527 60.6407 69.5195 172.2354 102 C 5.3609 9.1733 126.8740 55.2592 42.0294 173.6165 103 Q 4.4614 9.0261 119.2134 55.8546 30.3064 175.9975 104 D 4.6604 8.0840 119.2133 54.1247 40.4666 177.0012 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 7 P 0.00 4.28 0.00 2.16 2.16 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 8 A 8.11 4.24 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.05 4.15 2.05 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 0.87 0.00 0.00 0.93 0.00 0.00 10 E 8.80 5.11 0.00 2.40 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 1.96 2.60 0.00 11 S 9.05 5.77 0.00 3.98 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 12 R 9.05 4.82 0.00 1.59 1.84 0.00 2.21 0.00 0.00 2.60 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.01 0.00 13 L 8.24 4.87 0.00 1.55 1.39 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.70 4.10 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 0.79 0.00 0.00 0.70 0.00 0.00 15 G 9.18 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 16 G 7.76 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 0.00 0.00 0.00 0.00 17 S 8.33 4.15 0.00 4.01 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 18 S 7.51 4.61 0.00 3.79 3.97 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 19 I 8.14 3.86 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.86 0.00 0.00 20 C 8.02 4.65 0.00 2.96 3.12 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 21 E 7.85 4.95 0.00 2.11 1.71 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 2.28 2.28 0.00 22 G 6.85 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 0.00 0.00 0.00 23 T 7.77 4.61 4.36 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 0.00 0.00 0.00 1.32 0.00 0.00 24 V 8.46 4.10 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 1.06 0.00 0.00 0.75 0.00 0.00 25 E 9.63 5.37 0.00 1.84 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 2.28 2.24 0.00 26 V 9.31 5.47 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 0.97 0.00 0.00 1.02 0.00 0.00 27 R 8.66 4.59 0.00 1.35 1.32 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 28 Q 8.27 4.25 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 29 G 6.95 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 30 A 8.08 4.72 1.03 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 31 Q 8.19 4.48 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 32 W 8.36 4.69 0.00 3.25 3.34 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 33 A 9.15 4.90 1.29 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 0.00 0.00 0.00 34 A 8.65 4.55 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 35 L 8.65 4.78 0.00 2.02 1.67 1.25 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.21 5.05 0.00 3.25 3.24 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 0.00 37 D 9.53 4.49 0.00 2.80 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 *44 S 8.69 4.22 0.00 3.80 3.86 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 45 L 7.34 3.99 0.00 1.50 1.56 0.84 0.71 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 46 R 7.36 3.49 0.00 1.08 0.66 0.00 2.46 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.24 0.00 47 W 6.97 4.74 0.00 3.25 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 48 E 7.78 3.97 0.00 2.18 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 2.32 2.46 0.00 49 E 8.14 3.88 0.00 1.95 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 2.35 0.00 50 V 7.47 3.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.14 0.00 0.00 51 C 8.52 4.25 0.00 3.17 3.27 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 0.00 0.00 0.00 0.00 52 R 8.43 3.85 0.00 1.97 2.10 0.00 3.09 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 53 E 8.53 4.21 0.00 2.08 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 2.38 0.00 54 Q 7.99 4.13 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.95 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 55 Q 8.24 3.42 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 56 C 7.80 4.77 0.00 2.89 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 57 G 8.85 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 0.00 0.00 0.00 0.00 58 S 8.74 5.02 0.00 3.99 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 59 V 8.26 4.11 2.23 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 0.90 0.00 0.00 1.12 0.00 0.00 60 N 8.36 5.12 0.00 2.75 2.94 0.00 0.00 6.83 6.92 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 61 S 7.80 4.84 0.00 3.83 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 62 Y 8.05 5.54 0.00 2.61 2.47 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 0.00 0.00 0.00 0.00 63 R 9.03 4.70 0.00 1.79 1.93 0.00 2.66 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 64 V 8.48 4.32 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 0.87 0.00 0.00 1.05 0.00 0.00 65 L 8.93 4.66 0.00 1.66 1.57 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.75 4.33 0.00 2.93 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 67 A 7.99 4.09 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 68 G 9.31 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 0.00 0.00 0.00 69 D 7.87 4.58 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 2.97 0.00 1.98 1.75 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 71 T 8.03 4.41 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 1.15 0.00 0.00 72 S 8.07 4.60 0.00 3.92 3.90 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 0.00 0.00 0.00 73 R 8.36 5.11 0.00 1.72 1.83 0.00 3.15 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 74 G 8.82 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 0.00 0.00 0.00 0.00 75 L 8.85 5.64 0.00 1.63 1.63 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.31 5.13 0.00 3.13 3.14 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 77 C 7.54 4.70 0.00 2.73 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 78 P 0.00 3.40 0.00 1.90 1.55 0.00 2.98 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 79 H 6.86 4.33 0.00 3.17 3.13 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 80 Q 8.48 3.90 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 81 K 8.42 4.46 0.00 1.79 1.70 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.19 7.81 82 L 8.48 3.89 0.00 1.67 1.68 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.98 4.16 0.00 3.97 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 84 Q 7.82 4.44 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.14 0.00 85 C 7.66 4.71 0.00 2.86 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 86 H 8.67 4.38 0.00 3.17 3.31 0.00 5.79 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 87 E 7.71 4.79 0.00 1.96 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 2.65 0.00 88 L 8.56 4.80 0.00 1.63 1.64 0.92 0.89 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 89 W 9.15 5.17 0.00 3.52 3.09 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 90 E 8.87 4.84 0.00 1.92 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 0.00 2.35 2.39 0.00 91 R 9.06 4.46 0.00 1.84 1.89 0.00 3.01 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 92 N 8.76 4.82 0.00 2.77 2.84 0.00 0.00 6.99 7.57 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 93 S 7.87 4.72 0.00 3.96 3.72 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 94 Y 8.28 3.72 0.00 3.14 3.02 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 95 C 8.26 4.53 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 96 K 8.86 4.59 0.00 1.87 1.83 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.56 7.81 97 K 8.72 5.12 0.00 1.78 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.28 7.81 98 V 8.05 4.81 1.58 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 0.57 0.00 0.00 0.96 0.00 0.00 99 F 9.40 5.02 0.00 3.10 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 0.00 100 V 8.12 4.61 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 0.91 0.00 0.00 0.27 0.00 0.00 101 T 8.72 4.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 102 C 9.17 5.36 0.00 2.83 3.11 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 0.00 103 Q 9.03 4.46 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 104 D 8.08 4.66 0.00 2.71 2.59 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 * Residues marked with a * may have inaccurate shift predictions.