NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2881 0.0000 0.0000 61.6255 32.6103 174.7582 3 K 3.6158 8.6522 117.2435 55.7337 32.4670 175.4160 4 K 4.1128 8.6438 127.9315 56.4396 33.6638 175.3269 5 V 5.5349 8.3635 127.4467 60.7180 33.5585 174.3246 6 L 4.9842 8.2164 127.4129 53.0941 45.6488 174.9061 7 T 4.8303 7.8427 108.2121 60.5967 72.0768 173.5302 8 G 4.4369 7.8842 108.6683 47.0397 0.0000 171.7668 9 V 5.4362 7.5599 112.1137 58.9403 34.2239 176.0155 10 V 4.8348 8.1407 124.3961 62.2900 31.9526 176.2903 11 V 4.2096 8.3711 120.6917 61.3342 33.0422 176.0599 12 S 4.5695 7.7939 115.8521 56.8565 64.7490 173.4660 13 D 4.9764 8.7997 125.8358 53.0854 40.2817 178.1301 14 K 4.4193 7.7490 120.8692 55.9879 31.2620 176.4641 15 M 4.8524 7.5102 115.8302 53.9600 36.4019 174.8429 16 Q 4.3198 8.6766 120.7878 56.8272 29.8477 176.0900 17 K 4.5626 9.2761 119.3178 56.2001 30.8253 174.2032 18 T 5.1375 7.7724 113.1880 62.3070 72.6975 173.3173 19 V 5.1118 8.2537 115.7779 60.4604 37.4495 173.4852 20 T 5.6830 8.3936 116.9506 61.2774 71.2347 173.6413 21 V 4.6241 8.4486 125.8988 60.9441 34.7960 173.6089 22 L 4.6000 9.5903 129.3279 53.5008 44.4904 175.2870 23 V 4.5311 8.3236 126.0007 60.9802 32.6788 172.7804 24 E 4.5975 8.5592 125.4832 55.5744 30.3751 175.8104 25 R 4.6960 9.7780 127.2915 54.4620 32.5870 174.0960 26 Q 5.0964 8.8056 125.0126 54.5689 30.7231 174.6467 27 F 5.1144 8.2617 117.0334 54.8713 42.2268 171.5605 28 P 4.9493 0.0000 0.0000 62.1382 32.8298 175.3423 29 H 5.0738 8.3015 122.6363 54.0126 30.8268 174.1111 30 P 4.4189 0.0000 0.0000 64.5271 31.3555 176.1133 31 L 4.5240 8.2397 118.3885 56.6500 43.6143 176.3516 32 Y 4.7191 7.2047 113.2509 56.9666 38.1249 175.5682 33 G 3.9935 8.5112 105.9911 46.5747 0.0000 174.2207 34 K 3.8649 8.9414 122.7201 56.9838 33.4214 175.9607 35 V 4.0921 8.4210 126.5166 62.9058 31.9538 174.9743 36 I 4.4585 8.4167 121.6051 58.9394 41.1673 174.7267 37 K 4.4886 8.3144 120.8274 54.8505 34.2650 175.8893 38 R 4.7698 8.9239 126.4928 54.7670 32.8701 174.7870 39 S 5.7809 7.9944 116.5686 55.7275 67.1391 172.6796 40 K 4.2329 8.0073 115.0997 55.7724 35.0059 174.6497 41 K 4.9143 8.9118 127.0269 56.8385 33.4205 175.3627 42 Y 4.6964 8.4927 117.6825 56.9953 43.0719 174.5139 43 L 5.1744 8.8330 121.1589 53.4159 43.1921 175.5224 44 A 5.1080 8.7164 126.7470 49.8595 21.6373 175.1130 45 H 4.3692 9.3640 123.8905 56.7553 31.1611 174.1498 46 D 5.0284 9.0091 125.2468 52.2176 41.5612 173.5898 47 P 4.3366 0.0000 0.0000 64.1785 32.0597 177.7681 48 E 4.2424 7.8889 116.7691 56.1154 29.7688 176.7508 49 E 3.9983 7.2939 111.6011 56.8009 25.5811 173.3462 50 K 4.1813 7.7605 118.9192 57.1754 35.3758 176.1445 51 Y 4.1064 6.4826 117.7988 58.7013 38.0267 176.5162 52 K 4.5510 8.3872 123.7884 54.0737 35.4069 174.8701 53 L 4.0220 8.2919 120.0880 57.1071 42.1158 176.9094 54 G 3.9138 8.6358 112.0054 46.0006 0.0000 172.3637 55 D 4.8808 7.5611 117.9843 52.6172 43.3148 176.0614 56 V 4.5365 8.2622 121.9169 61.7908 33.2304 174.5290 57 V 5.1739 8.1107 121.6729 59.6225 35.5393 174.3137 58 E 5.4698 8.6162 118.3262 53.8294 33.9240 175.2964 59 I 5.2978 7.9652 113.5069 58.1505 41.1493 173.7898 60 I 5.0242 8.2360 123.9435 58.7744 40.9427 174.0541 61 E 3.3730 8.8802 129.8790 57.1979 30.0392 176.0468 62 S 4.7004 7.7631 121.3044 56.7177 67.2674 173.5265 63 R 4.0260 8.4550 120.0268 55.5550 30.4483 174.6203 64 P 4.3562 0.0000 0.0000 63.4481 31.8265 176.2840 65 I 4.5131 8.0294 119.0260 60.5032 39.8350 176.2929 66 S 4.7984 7.9040 114.9688 57.2384 64.1579 176.0747 67 K 3.8345 8.5606 122.9376 58.4607 31.9470 176.2854 68 R 4.0870 9.0506 125.9921 55.7762 28.9688 175.5626 69 K 4.7057 8.6798 119.4571 55.4269 31.5742 175.6107 70 R 4.4830 8.3002 127.3809 54.9644 31.7786 174.8443 71 F 5.3190 8.1630 115.2151 56.3763 43.8970 173.7071 72 R 5.1787 8.5640 119.5493 54.0866 34.3165 175.0678 73 V 4.0500 8.1358 122.8758 63.3802 31.2661 175.8622 74 L 4.3608 9.8683 131.3886 55.3784 42.9677 176.7767 75 R 4.5952 7.1910 117.0034 55.6937 30.3310 172.3968 76 L 4.3527 8.0311 120.6333 54.2370 42.8901 176.3385 77 V 4.2536 8.9918 124.7349 61.8203 33.2110 175.2866 78 E 5.1061 7.4537 117.3297 56.4276 31.2408 177.7318 79 S 4.6212 9.1512 118.1031 59.4499 63.2512 172.4591 80 G 3.8706 7.5224 105.9600 44.2568 0.0000 175.4843 81 R 4.5595 8.6559 122.8541 56.2638 32.1451 176.7579 82 M 4.0577 8.4805 118.6051 57.6221 32.6573 178.1169 83 D 4.4841 8.5330 120.2358 56.4020 40.0105 178.2653 84 L 3.9231 7.9460 120.6209 57.5135 40.1030 179.4911 85 V 3.7087 7.9748 117.0227 65.6965 31.1008 177.7859 86 E 3.8720 8.8825 118.7387 59.8765 29.0608 179.1401 87 K 3.9862 7.7434 117.9487 59.7959 31.9721 178.0181 88 Y 4.1206 7.6580 118.2744 59.8675 38.6713 177.4225 89 L 3.8804 8.1538 119.6936 57.3065 41.9351 179.1471 90 I 3.8195 7.5233 119.6585 64.2121 37.1043 178.0408 91 R 3.5444 7.3167 118.6256 58.9574 29.6842 178.3854 92 R 4.1800 6.6698 111.8079 57.2293 30.1611 178.1411 93 Q 4.0989 8.0965 120.5930 58.7592 28.9386 177.4595 94 N 4.7360 7.8545 118.0879 55.9618 38.5850 176.6886 95 Y 4.4989 7.5415 118.0442 61.5970 37.8451 178.3706 96 E 3.7808 7.9828 118.5475 59.1381 29.8980 178.1362 97 S 4.6444 8.5221 112.2731 58.2481 63.2364 174.5262 98 L 4.4306 8.3574 122.7178 55.0224 41.7463 176.7298 99 S 4.6604 7.7756 114.4266 56.8609 65.1391 172.8186 100 K 4.3700 8.1742 120.8559 55.4066 35.1208 177.5149 *101 R 4.1415 8.6495 120.8588 56.4717 30.0213 172.0724 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 P 0.00 4.29 0.00 2.20 2.16 0.00 3.78 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 1.89 2.00 0.00 3 K 8.65 3.62 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 4 K 8.64 4.11 0.00 2.01 1.89 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.46 7.81 5 V 8.36 5.53 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 1.00 0.00 0.00 0.99 0.00 0.00 6 L 8.22 4.98 0.00 1.32 1.36 0.46 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.84 4.83 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 1.18 0.00 0.00 8 G 7.88 4.44 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 0.00 9 V 7.56 5.44 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 0.93 0.00 0.00 0.89 0.00 0.00 10 V 8.14 4.83 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 1.17 0.00 0.00 0.96 0.00 0.00 11 V 8.37 4.21 1.69 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 0.51 0.00 0.00 0.49 0.00 0.00 12 S 7.79 4.57 0.00 3.82 3.67 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 13 D 8.80 4.98 0.00 2.82 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 14 K 7.75 4.42 0.00 1.79 1.90 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 15 M 7.51 4.85 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 16 Q 8.68 4.32 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.14 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 17 K 9.28 4.56 0.00 1.96 1.94 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.37 7.81 18 T 7.77 5.14 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 19 V 8.25 5.11 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 1.15 0.00 0.00 1.04 0.00 0.00 20 T 8.39 5.68 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 1.18 0.00 0.00 21 V 8.45 4.62 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 0.93 0.00 0.00 0.88 0.00 0.00 22 L 9.59 4.60 0.00 1.75 1.43 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.32 4.53 2.30 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 0.90 0.00 0.00 0.78 0.00 0.00 24 E 8.56 4.60 0.00 1.90 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 2.33 2.32 0.00 25 R 9.78 4.70 0.00 1.82 1.86 0.00 3.12 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 26 Q 8.81 5.10 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 27 F 8.26 5.11 0.00 3.11 3.19 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 28 P 0.00 4.95 0.00 2.08 2.09 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 29 H 8.30 5.07 0.00 3.10 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.42 0.00 2.20 2.17 0.00 3.70 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 1.90 1.91 0.00 31 L 8.24 4.52 0.00 1.41 1.10 0.96 0.76 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 32 Y 7.20 4.72 0.00 2.65 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 33 G 8.51 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 34 K 8.94 3.86 0.00 1.87 1.73 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 35 V 8.42 4.09 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 0.83 0.00 0.00 0.93 0.00 0.00 36 I 8.42 4.46 1.69 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.04 0.87 0.00 0.00 37 K 8.31 4.49 0.00 1.57 1.73 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.34 7.81 38 R 8.92 4.77 0.00 1.95 1.92 0.00 3.20 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 39 S 7.99 5.78 0.00 3.91 3.85 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 40 K 8.01 4.23 0.00 1.82 1.73 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.04 1.14 7.81 41 K 8.91 4.91 0.00 1.68 1.73 0.00 1.80 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.54 7.81 42 Y 8.49 4.70 0.00 2.70 2.71 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 43 L 8.83 5.17 0.00 1.77 1.68 0.95 0.81 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 44 A 8.72 5.11 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 45 H 9.36 4.37 0.00 3.27 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.01 5.03 0.00 2.90 2.53 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 0.00 47 P 0.00 4.34 0.00 2.21 2.14 0.00 3.68 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 48 E 7.89 4.24 0.00 1.87 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 2.20 2.25 0.00 49 E 7.29 4.00 0.00 2.00 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 2.41 2.22 0.00 50 K 7.76 4.18 0.00 0.99 1.42 0.00 1.23 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 0.66 7.81 51 Y 6.48 4.11 0.00 2.99 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 52 K 8.39 4.55 0.00 1.89 1.95 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.34 7.81 53 L 8.29 4.02 0.00 1.61 1.65 0.97 1.03 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 54 G 8.64 3.91 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 0.00 0.00 0.00 55 D 7.56 4.88 0.00 2.94 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 56 V 8.26 4.54 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 0.92 0.00 0.00 0.96 0.00 0.00 57 V 8.11 5.17 1.67 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 0.07 0.00 0.00 0.70 0.00 0.00 58 E 8.62 5.47 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.96 0.00 59 I 7.97 5.30 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.13 0.97 0.00 0.00 60 I 8.24 5.02 1.90 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 1.25 1.48 1.00 0.00 0.00 61 E 8.88 3.37 0.00 2.05 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 2.13 1.98 0.00 62 S 7.76 4.70 0.00 3.64 3.68 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 63 R 8.45 4.03 0.00 1.74 1.79 0.00 3.24 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 64 P 0.00 4.36 0.00 2.05 1.97 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 65 I 8.03 4.51 2.00 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 1.32 0.82 0.82 0.00 0.00 66 S 7.90 4.80 0.00 4.00 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 67 K 8.56 3.83 0.00 1.73 1.82 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 68 R 9.05 4.09 0.00 1.93 2.25 0.00 3.30 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 69 K 8.68 4.71 0.00 1.90 1.70 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.45 7.81 70 R 8.30 4.48 0.00 1.74 1.39 0.00 3.22 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 71 F 8.16 5.32 0.00 3.00 2.88 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 72 R 8.56 5.18 0.00 1.73 1.82 0.00 3.18 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 73 V 8.14 4.05 2.21 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 0.06 0.00 0.00 1.00 0.00 0.00 74 L 9.87 4.36 0.00 1.68 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.19 4.60 0.00 2.12 2.09 0.00 2.99 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.00 76 L 8.03 4.35 0.00 1.90 1.71 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.99 4.25 2.04 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 0.84 0.00 0.00 0.91 0.00 0.00 78 E 7.45 5.11 0.00 2.17 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 2.09 2.07 0.00 79 S 9.15 4.62 0.00 3.87 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 80 G 7.52 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 81 R 8.66 4.56 0.00 2.00 1.86 0.00 3.57 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 1.62 1.72 0.00 82 M 8.48 4.06 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 83 D 8.53 4.48 0.00 2.87 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 84 L 7.95 3.92 0.00 1.71 1.78 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.97 3.71 2.28 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 1.11 0.00 0.00 0.95 0.00 0.00 86 E 8.88 3.87 0.00 2.15 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 0.00 2.56 2.50 0.00 87 K 7.74 3.99 0.00 1.91 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.65 7.81 88 Y 7.66 4.12 0.00 3.13 2.93 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 89 L 8.15 3.88 0.00 1.77 1.71 0.96 0.91 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 90 I 7.52 3.82 1.78 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 1.76 0.81 0.89 0.00 0.00 91 R 7.32 3.54 0.00 1.47 1.39 0.00 3.06 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 92 R 6.67 4.18 0.00 2.06 1.74 0.00 2.83 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 93 Q 8.10 4.10 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 94 N 7.85 4.74 0.00 2.69 2.87 0.00 0.00 7.60 7.48 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 95 Y 7.54 4.50 0.00 2.89 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 96 E 7.98 3.78 0.00 2.00 2.21 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 2.35 2.36 0.00 97 S 8.52 4.64 0.00 4.04 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 98 L 8.36 4.43 0.00 1.90 1.72 1.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.78 4.66 0.00 3.96 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 0.00 100 K 8.17 4.37 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *101 R 8.65 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.