NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6582 8.3027 117.3701 53.7928 30.4559 172.2705 7 R 4.4832 8.0364 116.9335 53.9197 31.5705 174.6744 8 L 4.2075 8.4107 125.4667 55.4886 43.3655 178.4132 9 S 4.4616 8.7271 118.7016 58.3437 66.1042 174.0578 10 A 4.2313 8.4244 120.4159 54.7523 19.2351 179.2102 11 E 3.9152 8.1953 116.7498 60.2128 29.5241 179.0125 12 E 3.9651 8.3829 118.3071 59.2678 29.4117 179.2829 13 R 4.0519 7.9679 118.0476 59.7112 30.0513 178.5269 14 D 4.5941 8.3682 117.4924 56.4874 41.1471 178.5324 15 Q 4.1370 8.2394 118.7915 59.1424 29.0147 177.7391 16 L 3.4670 9.0946 117.1279 57.8074 42.0009 181.9514 17 L 2.8007 8.4349 111.8575 54.0153 43.1005 177.5607 18 P 3.9710 0.0000 0.0000 66.1929 32.8208 179.1058 19 N 4.0998 7.7744 114.9338 56.1594 39.0146 177.2158 20 L 4.1783 7.9701 120.1667 57.8361 41.5921 179.6158 21 R 4.2159 7.8706 116.9880 59.2719 30.1162 178.5573 22 A 4.1424 9.3777 119.4806 55.2862 18.3611 179.5692 23 V 3.8077 7.3507 116.0270 65.1026 31.7128 175.4906 24 G 3.1794 7.0267 108.7693 44.6866 0.0000 173.2413 25 W 4.9803 7.6364 120.8479 55.2115 30.7113 175.0650 26 N 4.4707 8.5422 117.9618 53.2312 41.3707 173.4709 27 E 4.7070 9.0091 124.3451 56.3543 30.2772 177.0619 28 L 4.3342 9.3960 124.5666 54.5622 42.5035 177.4515 29 E 4.1239 8.7154 120.6462 59.2138 29.6389 178.4855 30 G 3.8558 7.9639 105.1519 46.0915 0.0000 173.0614 31 R 4.4093 7.1600 113.6398 55.1959 31.4249 175.0043 32 D 4.5059 8.6658 119.0442 54.0070 39.3540 174.3668 33 A 4.6581 7.8388 122.3060 50.8314 22.7954 174.5321 34 I 5.5223 8.1481 115.7705 59.2493 39.5094 175.4043 35 F 5.3719 8.7245 128.4408 56.5992 42.5685 173.6955 36 K 3.9220 6.0615 118.7031 55.4352 36.0107 173.2884 37 Q 4.5383 8.1058 125.1198 53.9382 30.3502 174.9936 38 F 3.8243 8.6024 123.7527 57.6610 40.4017 174.5049 39 H 4.9587 7.8167 121.4558 55.0298 32.0748 172.3577 40 F 4.4673 9.1494 129.9553 57.0771 40.7393 175.5699 41 K 4.3408 8.8211 119.8346 58.3823 33.6302 176.5054 42 D 4.1409 7.2377 116.8566 51.0747 43.0165 175.8183 43 F 4.4012 7.9892 121.5032 61.0544 39.2834 176.1340 44 N 3.8361 8.2140 116.1861 57.0492 38.6166 176.5057 45 R 3.8084 7.8198 118.3608 58.6604 30.4232 178.7170 46 A 2.6481 7.0300 119.1922 54.4592 18.1895 179.4231 47 F 3.8205 7.9269 119.5833 60.9076 39.4356 177.9284 48 G 3.4538 7.5766 105.2774 47.5786 0.0000 175.4808 49 F 4.1908 7.7424 122.4226 61.4701 39.3496 177.2558 50 M 3.7581 7.5155 117.8242 58.2975 31.0427 178.8834 51 T 3.6562 7.6225 116.4449 66.5252 68.1440 176.9645 52 R 4.0493 7.8814 120.0509 59.0601 29.4104 179.2757 53 V 3.3962 7.5790 111.5079 63.6056 31.8349 178.0924 54 A 4.4733 8.0979 119.8542 54.0822 18.3513 179.5228 55 L 4.0565 7.4936 117.1572 57.5051 41.7918 179.0799 56 Q 3.5851 7.4618 118.9739 59.6620 28.9152 177.4822 57 A 4.1081 8.8165 121.6829 55.1407 18.2852 179.0112 58 E 3.7905 7.9823 113.4905 59.5255 29.6869 179.4895 59 K 3.7465 7.4749 117.6000 59.3865 32.1511 177.6891 60 L 4.4580 7.5477 117.2005 54.5904 41.0795 175.3798 61 D 4.2471 7.4134 116.0578 55.6816 40.4923 172.4139 62 H 4.7019 7.8963 116.2191 54.0063 31.5088 172.2735 63 H 4.8055 8.2094 123.7329 53.2723 30.9513 172.3502 64 P 4.4796 0.0000 0.0000 61.2420 32.9986 174.9233 65 E 4.6127 8.0926 118.3603 55.0707 30.7998 174.8990 66 W 5.7846 8.7461 121.0038 55.0528 32.2524 174.2433 67 F 4.8372 9.1074 119.4214 57.5377 42.5328 172.2230 68 N 5.4540 8.2439 124.3514 52.3442 41.1243 172.0849 69 V 3.7622 8.5967 121.7354 62.4944 32.9082 175.2081 70 Y 4.5142 8.1384 118.9338 58.2133 41.1615 175.2917 71 N 5.1278 8.0545 112.7883 52.1340 39.7060 172.5875 72 K 5.1699 8.1298 118.9325 55.0882 35.5531 175.2727 73 V 4.8946 9.3471 123.9459 61.7665 35.2888 173.3750 74 H 5.2367 10.2680 126.2796 54.2701 30.9958 173.5321 75 I 5.0619 8.4569 124.6851 59.8367 39.6096 174.7889 76 T 5.2353 8.8545 123.3564 62.0044 71.7313 173.1643 77 L 5.2231 9.1427 126.6379 53.3204 45.5779 175.6764 78 S 4.9472 7.9310 113.9763 58.5384 65.9800 174.8387 79 T 4.6030 8.6199 116.1547 62.0723 70.7674 175.2835 80 H 4.0936 9.2156 127.2450 58.8052 30.2029 176.0026 81 E 4.4757 8.1181 114.4142 56.4393 29.7399 176.1020 82 C 4.4462 7.7811 115.8238 58.8754 30.0928 174.1361 83 A 3.6982 7.5384 119.2212 52.2463 16.7130 177.0188 84 G 4.0828 7.4574 104.1783 46.9958 0.0000 173.3712 85 L 4.7009 8.1820 122.1900 56.1392 43.7342 177.3452 86 S 4.7643 7.8543 114.4239 57.9667 66.0304 175.0417 87 E 3.9626 8.7978 117.9204 60.2160 29.2196 178.2835 88 R 3.7199 8.2312 116.9306 59.4609 29.8961 178.5118 89 D 4.3720 7.7869 117.4787 57.5834 41.2274 179.9061 90 I 3.5426 7.1567 119.5136 64.5458 37.1962 178.2792 91 N 4.3327 8.5534 117.5925 56.0501 38.2759 177.2546 92 L 3.8540 8.4264 121.8464 58.2218 42.2561 179.0041 93 A 3.9497 7.9428 120.7060 54.9390 17.8353 179.5542 94 S 4.0818 7.6514 112.7134 62.6363 63.2190 175.9752 95 F 3.7870 8.4944 121.7204 61.8192 38.9747 176.8960 96 I 3.8692 8.7027 118.4228 64.8217 37.1264 177.7688 97 E 4.3439 8.7096 119.1666 60.2441 29.3539 178.3685 98 Q 4.0008 8.4883 118.2122 58.4081 28.5498 178.8916 99 V 3.5768 7.4220 118.1185 66.4745 31.7259 178.3402 100 A 4.1920 8.2225 120.1264 54.7197 18.0588 179.3059 101 V 3.9094 8.9500 116.6752 63.1647 31.9224 177.4864 102 S 4.5944 7.7059 113.7191 58.8929 63.5753 174.1693 103 M 4.4802 7.5265 121.2315 55.5800 32.5381 176.1439 104 T 4.1919 7.7136 121.0738 63.6197 69.0266 174.0148 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 *6 H 8.30 4.66 0.00 2.85 2.93 0.00 7.14 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 7 R 8.04 4.48 0.00 1.83 1.84 0.00 3.04 0.00 0.00 3.88 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 8 L 8.41 4.21 0.00 1.66 1.60 0.94 0.88 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 9 S 8.73 4.46 0.00 4.07 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 10 A 8.42 4.23 1.36 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 0.00 0.00 0.00 11 E 8.20 3.92 0.00 2.01 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 2.41 2.42 0.00 12 E 8.38 3.97 0.00 2.08 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 2.32 2.34 0.00 13 R 7.97 4.05 0.00 2.00 2.02 0.00 3.12 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.02 0.00 14 D 8.37 4.59 0.00 2.61 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 15 Q 8.24 4.14 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 16 L 9.09 3.47 0.00 1.54 1.57 0.89 1.06 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 17 L 8.43 2.80 0.00 1.94 1.60 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 3.97 0.00 2.20 2.03 0.00 3.83 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 2.13 2.18 0.00 19 N 7.77 4.10 0.00 2.76 2.84 0.00 0.00 6.92 6.74 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 20 L 7.97 4.18 0.00 1.74 1.67 0.79 0.73 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 R 7.87 4.22 0.00 1.97 2.06 0.00 3.21 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 22 A 9.38 4.14 1.37 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 23 V 7.35 3.81 2.46 0.00 0.00 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 1.07 0.00 0.00 24 G 7.03 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 0.00 0.00 0.00 25 W 7.64 4.98 0.00 3.24 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 26 N 8.54 4.47 0.00 2.92 2.76 0.00 0.00 6.88 7.65 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 27 E 9.01 4.71 0.00 1.92 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 2.35 2.47 0.00 28 L 9.40 4.33 0.00 1.75 1.61 0.93 0.87 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 29 E 8.72 4.12 0.00 1.95 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 2.32 2.25 0.00 30 G 7.96 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 0.00 0.00 0.00 31 R 7.16 4.41 0.00 1.87 1.87 0.00 3.14 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 32 D 8.67 4.51 0.00 2.65 2.67 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 33 A 7.84 4.66 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 34 I 8.15 5.52 2.20 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.30 0.93 0.00 0.00 35 F 8.72 5.37 0.00 3.21 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 36 K 6.06 3.92 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.29 7.81 37 Q 8.11 4.54 0.00 1.68 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 38 F 8.60 3.82 0.00 2.97 2.25 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 39 H 7.82 4.96 0.00 3.08 3.02 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.15 4.47 0.00 2.73 2.87 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 41 K 8.82 4.34 0.00 1.68 1.82 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.48 7.81 42 D 7.24 4.14 0.00 2.93 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 43 F 7.99 4.40 0.00 2.88 3.08 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 44 N 8.21 3.84 0.00 2.76 2.91 0.00 0.00 7.16 7.65 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 45 R 7.82 3.81 0.00 1.94 1.72 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 46 A 7.03 2.65 1.24 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 0.00 0.00 47 F 7.93 3.82 0.00 1.90 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 48 G 7.58 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.74 4.19 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.52 3.76 0.00 1.15 1.24 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 1.88 0.00 51 T 7.62 3.66 4.21 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 1.12 0.00 0.00 52 R 7.88 4.05 0.00 2.01 2.06 0.00 3.10 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 53 V 7.58 3.40 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 0.62 0.00 0.00 0.87 0.00 0.00 54 A 8.10 4.47 1.47 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 0.00 0.00 55 L 7.49 4.06 0.00 1.82 1.70 0.94 0.59 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 56 Q 7.46 3.59 0.00 1.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.00 57 A 8.82 4.11 1.08 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 58 E 7.98 3.79 0.00 2.26 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 2.35 2.50 0.00 59 K 7.47 3.75 0.00 1.87 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 60 L 7.55 4.46 0.00 1.77 1.63 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.41 4.25 0.00 2.72 2.67 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 62 H 7.90 4.70 0.00 3.12 2.98 0.00 5.80 0.00 0.00 0.00 0.00 6.65 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 4.81 0.00 3.01 3.02 0.00 5.93 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.48 0.00 1.54 1.76 0.00 3.12 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 65 E 8.09 4.61 0.00 2.14 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 0.00 2.34 2.45 0.00 66 W 8.75 5.78 0.00 3.30 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 67 F 9.11 4.84 0.00 3.33 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 68 N 8.24 5.45 0.00 2.53 2.43 0.00 0.00 7.11 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 69 V 8.60 3.76 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 0.90 0.00 0.00 0.95 0.00 0.00 70 Y 8.14 4.51 0.00 2.93 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 71 N 8.05 5.13 0.00 2.68 2.32 0.00 0.00 5.85 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 72 K 8.13 5.17 0.00 1.88 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.55 7.81 73 V 9.35 4.89 2.49 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 1.34 0.00 0.00 1.00 0.00 0.00 74 H 10.27 5.24 0.00 3.60 3.30 0.00 5.82 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 75 I 8.46 5.06 2.28 0.00 0.00 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 1.79 1.50 1.26 0.00 0.00 76 T 8.85 5.24 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 L 9.14 5.22 0.00 1.60 1.54 0.73 0.55 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 78 S 7.93 4.95 0.00 3.84 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 79 T 8.62 4.60 4.43 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 1.19 0.00 0.00 80 H 9.22 4.09 0.00 3.21 3.35 0.00 5.66 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 81 E 8.12 4.48 0.00 2.11 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 0.00 2.23 2.30 0.00 82 C 7.78 4.45 0.00 3.06 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 83 A 7.54 3.70 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 84 G 7.46 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 85 L 8.18 4.70 0.00 1.82 1.54 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.85 4.76 0.00 3.82 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 87 E 8.80 3.96 0.00 1.95 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 2.35 2.30 0.00 88 R 8.23 3.72 0.00 1.35 1.64 0.00 3.01 0.00 0.00 3.23 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 89 D 7.79 4.37 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.16 3.54 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.85 0.00 0.00 91 N 8.55 4.33 0.00 2.73 2.85 0.00 0.00 6.73 6.62 0.00 0.00 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 L 8.43 3.85 0.00 1.74 1.70 0.63 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.94 3.95 0.29 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 94 S 7.65 4.08 0.00 3.94 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 95 F 8.49 3.79 0.00 3.09 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 96 I 8.70 3.87 2.36 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 1.23 0.00 0.00 97 E 8.71 4.34 0.00 2.45 2.27 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 2.58 2.59 0.00 98 Q 8.49 4.00 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.37 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 99 V 7.42 3.58 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 1.22 0.00 0.00 0.63 0.00 0.00 100 A 8.22 4.19 1.57 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 0.00 101 V 8.95 3.91 2.35 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 0.82 0.00 0.00 0.96 0.00 0.00 102 S 7.71 4.59 0.00 4.00 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 0.00 103 M 7.53 4.48 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 104 T 7.71 4.19 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.