NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.4337 8.1127 121.1361 56.6088 31.6932 173.7778 10 T 4.9574 8.7260 119.7407 59.6290 70.9952 167.2651 11 V 4.4104 9.3363 127.8706 61.1222 34.3607 174.0283 12 V 4.5671 8.3320 126.7812 61.0317 34.1209 174.5479 13 V 4.6101 8.2915 126.4091 61.1830 34.8680 173.7691 14 E 5.0197 8.8415 125.3677 54.8485 33.3617 175.2344 15 R 4.6298 8.8411 120.7365 54.7010 35.2438 173.7004 16 Q 4.6984 8.6072 123.4660 54.6627 30.6629 174.4535 17 I 4.4608 8.6372 128.0080 58.8827 39.8896 177.0121 18 S 4.7681 8.3316 124.6186 58.2719 62.6553 173.7462 19 H 4.9528 7.6688 115.2466 52.2508 33.1340 172.7229 20 P 4.4403 0.0000 0.0000 62.1851 33.1295 175.5088 21 P 4.3380 0.0000 0.0000 65.3692 31.2472 178.7001 22 E 4.0467 8.2104 116.5393 59.3016 29.4877 179.3133 23 K 3.9753 7.9713 119.1431 59.3636 32.5506 178.4922 24 L 3.8636 7.8620 120.5441 57.8558 41.8500 178.6005 25 W 4.0898 8.6485 128.7239 60.5963 30.5791 178.1400 26 R 3.9418 8.0778 117.3539 59.2996 29.3415 178.9674 27 A 4.1068 7.7047 118.6446 54.4730 18.4091 178.8150 28 L 4.3528 7.2831 115.5131 55.5401 42.1308 177.2708 29 T 4.1014 7.1152 106.4097 60.7277 70.1532 173.6573 30 Q 4.4691 7.8764 123.1798 54.1448 29.6538 173.8978 31 P 4.2025 0.0000 0.0000 66.4586 31.1744 178.1003 32 H 4.1388 8.2857 112.6072 58.7214 28.5787 177.0472 33 L 4.1397 7.3496 121.0787 57.4927 41.6732 178.9393 34 I 3.3632 8.2770 120.1652 64.2974 36.7688 178.0233 35 E 3.7518 7.9293 118.9364 59.1046 29.3629 178.4917 36 E 4.1529 7.9423 118.4679 58.1755 29.6503 177.5976 37 W 4.8270 7.7205 112.7782 55.8150 30.2814 175.1843 38 L 3.6044 7.1188 118.6294 54.9300 43.4229 176.1164 *40 K 3.9648 8.2957 115.4130 56.2909 33.8721 173.9194 41 N 5.6166 8.3069 120.3344 53.2399 39.8478 173.2752 42 D 4.9472 8.3535 116.1605 52.6272 39.7013 176.0392 43 F 2.9969 7.7353 120.2151 58.7254 40.3459 174.0720 44 K 4.0302 5.6600 124.0554 54.1296 36.1952 175.8257 45 P 4.5164 0.0000 0.0000 62.1925 30.2571 176.7482 46 A 4.6196 7.0632 120.8916 49.7755 22.0565 176.1791 47 V 4.0258 8.4801 123.3605 64.6299 31.9560 176.2277 48 G 4.0167 9.2969 116.3901 45.2001 0.0000 172.9917 49 H 4.3553 8.2799 121.2708 56.3168 30.8129 174.1145 50 R 5.1025 8.3687 125.0034 54.9391 31.7996 175.3973 51 F 4.8796 8.6636 117.6431 56.1871 42.2656 172.3166 52 N 5.3002 10.6263 116.2046 51.4303 42.8235 173.9217 53 I 5.0130 7.9825 120.6304 59.5733 40.4469 174.9504 54 S 4.9206 8.9367 120.8027 56.4707 66.4042 173.1585 55 A 4.5280 8.1200 122.8601 49.9832 21.2079 177.8627 56 D 4.2715 8.6092 118.9686 56.6919 41.0154 177.8332 57 W 4.5506 7.5486 113.8831 56.0184 28.8079 175.8984 58 G 3.9213 7.5983 110.1536 46.0376 0.0000 175.3223 59 G 3.1508 5.6874 106.7017 46.5184 0.0000 173.0401 60 V 4.8134 7.8047 120.4808 60.1795 34.4591 173.2903 61 L 4.7408 8.9956 123.4910 53.1132 44.9450 174.9130 62 D 5.0406 8.8874 121.6486 52.8326 43.2607 175.3031 63 C 5.1344 8.5173 120.3356 57.8864 33.0761 172.6949 64 E 5.1377 9.0585 120.8634 54.5161 33.2735 174.4995 65 V 4.4385 9.2195 127.7082 63.5127 32.0144 176.1577 66 L 4.5827 9.3859 128.3709 56.4366 43.1237 177.1292 67 A 4.8270 7.8897 118.5562 50.5450 22.9605 175.7272 68 V 4.8884 8.5466 120.5125 61.6884 34.3739 174.5342 69 E 4.5460 9.6681 130.5116 53.3212 31.2865 171.7602 70 P 2.9700 0.0000 0.0000 62.1769 31.4019 176.5203 71 N 4.2668 5.7700 118.6977 53.7265 36.5469 173.8961 72 K 4.5679 7.3834 114.8661 57.7104 35.0328 176.2182 73 T 5.4250 8.6391 115.9273 61.8677 73.1506 172.6426 74 L 5.4549 9.2663 126.6670 53.8430 45.9104 174.8006 75 S 5.2723 9.5452 120.5124 57.0781 66.2444 172.0346 76 Y 5.6166 8.5293 123.1942 55.9486 41.5068 174.2895 77 T 4.6221 8.9276 111.7806 62.0436 70.0820 174.6898 78 W 5.2035 9.2552 133.0698 56.0350 31.8332 173.3186 79 N 5.5005 9.0356 122.4495 51.0957 42.9408 173.2304 80 L 4.7353 8.8244 122.0598 54.1118 45.6758 174.1818 81 A 4.9715 8.6771 128.9874 51.8909 19.4636 175.8137 82 H 4.8255 9.1480 121.5294 54.7593 32.8202 173.6903 83 Q 4.0502 8.7153 123.1052 59.0345 28.7611 176.3317 84 D 4.6200 8.4478 119.4800 52.6042 41.3161 174.6640 85 P 4.2337 0.0000 0.0000 65.6778 31.3245 178.3654 86 A 3.8249 8.4746 121.6655 54.3097 18.2590 177.8669 87 F 4.8361 7.9465 112.7339 58.0207 40.5487 176.6827 88 D 4.7755 7.7772 118.2154 54.3694 40.1023 173.9938 89 L 4.6469 8.9052 127.4749 53.4992 43.7911 175.1564 90 R 5.1006 8.6269 124.4134 54.6015 33.4616 174.1641 91 S 4.7393 9.3072 118.1732 56.6552 67.5464 172.8353 92 V 4.6673 8.6253 119.3990 60.9845 34.5850 174.0594 93 V 4.3425 8.6692 127.6517 61.2434 33.7847 174.2742 94 T 4.8616 7.9641 123.9739 61.7539 71.7226 173.2143 95 F 4.9279 9.5959 126.5674 56.1828 41.4343 174.9307 96 T 5.0738 8.9772 120.5439 61.8293 71.2826 172.8528 97 L 5.1359 9.2531 127.6158 53.4498 43.6582 176.3318 98 T 4.5512 8.8872 120.6505 60.8633 71.3511 171.8485 99 P 4.8341 0.0000 0.0000 63.0857 31.9738 176.0382 100 T 4.7422 8.7806 113.0643 58.9578 72.1866 172.1561 101 P 4.3146 0.0000 0.0000 65.8235 31.0730 177.7125 102 T 4.3650 7.8598 110.4107 61.8168 69.2984 175.2881 103 G 4.3931 6.5535 111.7902 46.9176 0.0000 175.5736 104 T 5.0443 8.3567 122.1015 61.7631 72.9704 170.8618 105 H 4.6099 9.4784 126.6167 55.0468 31.5299 173.3094 106 L 5.0130 8.8393 128.3310 53.4166 44.5100 175.1252 107 R 5.0114 8.3326 125.6588 53.2700 34.4788 172.8511 *109 E 4.2414 8.4916 118.8834 56.1224 31.1079 174.3614 110 Q 4.8973 9.1945 129.1313 54.5420 31.1542 174.4525 111 S 4.9788 8.6724 122.7300 57.4451 66.1719 174.9777 112 G 4.0115 8.9838 107.4578 45.9423 0.0000 174.5220 113 F 4.5238 7.5764 118.8291 57.6560 39.5329 175.2155 114 R 4.6678 9.0807 124.4784 53.6437 31.8895 175.7085 115 P 4.1381 0.0000 0.0000 65.6957 31.0843 176.8035 116 D 4.6628 8.0255 115.9170 53.4458 40.1904 176.4734 117 Q 4.6691 7.9604 120.1018 55.3811 29.2559 177.4670 118 R 3.8930 7.9470 119.9748 59.4568 30.3045 176.8018 119 R 3.8664 7.9874 117.7376 59.5047 30.1059 178.1494 120 A 4.1242 8.0417 119.8668 55.3805 18.4276 178.6415 121 Y 2.7642 8.0168 118.1194 60.4388 38.5475 178.7917 122 G 3.5658 8.1992 105.7410 47.7021 0.0000 175.6956 123 G 3.7381 8.2192 107.4076 47.2547 0.0000 175.4522 124 A 4.2706 8.0560 123.0707 54.9376 18.2081 180.4053 125 K 4.2323 7.1000 111.5787 57.5247 32.0283 178.2353 *127 G 3.6481 8.0344 111.0485 45.2922 0.0000 175.8856 128 W 4.1511 8.2534 120.0969 59.0652 29.0292 176.7764 129 P 4.4152 0.0000 0.0000 65.7734 30.9032 178.6689 130 Q 4.0321 7.8693 116.3980 58.7520 28.6412 178.5713 131 F 4.6592 7.8541 118.8431 60.9366 38.9946 177.8286 132 F 4.7162 8.6653 117.2704 60.1421 38.7244 177.4624 133 E 4.0318 8.2548 119.4048 59.3251 29.4187 178.9637 134 K 4.1984 8.2559 118.0826 59.0515 32.0952 179.2755 135 L 3.8636 8.2513 120.9632 58.2698 41.9381 178.9490 136 E 3.9728 8.5486 118.7792 59.2723 29.2086 179.5013 137 Q 3.9978 7.9935 118.0920 58.6792 28.5895 178.1442 138 L 3.9629 7.9283 120.3157 58.2736 42.4710 178.7556 139 L 4.0017 7.9245 118.6379 58.0163 41.5918 179.3532 140 D 4.6789 8.4610 118.9236 57.3738 40.4735 178.9830 141 R 4.1031 7.6876 117.5632 58.6285 30.0955 178.2114 142 T 4.1710 7.7776 108.1262 62.2386 69.5099 174.8247 143 D 4.5877 7.3155 122.1255 53.7836 41.6483 176.3039 144 L 4.1748 8.4147 120.6599 55.2975 41.5685 177.2335 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 9 R 8.11 4.43 0.00 2.07 2.06 0.00 3.00 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.36 0.00 10 T 8.73 4.96 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 1.27 0.00 0.00 11 V 9.34 4.41 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 0.80 0.00 0.00 0.51 0.00 0.00 12 V 8.33 4.57 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 0.81 0.00 0.00 0.91 0.00 0.00 13 V 8.29 4.61 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 1.29 0.00 0.00 0.98 0.00 0.00 14 E 8.84 5.02 0.00 1.83 1.70 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 2.19 2.31 0.00 15 R 8.84 4.63 0.00 1.35 1.74 0.00 3.49 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 1.57 1.69 0.00 16 Q 8.61 4.70 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 17 I 8.64 4.46 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.34 0.91 0.00 0.00 18 S 8.33 4.77 0.00 3.75 3.77 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 0.00 0.00 0.00 19 H 7.67 4.95 0.00 3.05 3.11 0.00 5.71 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 20 P 0.00 4.44 0.00 2.52 2.19 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 21 P 0.00 4.34 0.00 2.17 2.17 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 22 E 8.21 4.05 0.00 2.08 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 0.00 2.39 2.57 0.00 23 K 7.97 3.98 0.00 1.85 1.92 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 L 7.86 3.86 0.00 1.77 1.77 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.65 4.09 0.00 3.55 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 26 R 8.08 3.94 0.00 2.11 2.00 0.00 3.25 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 27 A 7.70 4.11 1.22 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 0.00 0.00 0.00 28 L 7.28 4.35 0.00 1.24 1.18 0.58 -0.05 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 29 T 7.12 4.10 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 0.33 0.00 0.00 30 Q 7.88 4.47 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 31 P 0.00 4.20 0.00 2.17 2.10 0.00 3.67 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.42 0.00 32 H 8.29 4.14 0.00 3.31 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.35 4.14 0.00 1.80 1.78 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.28 3.36 1.90 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.38 0.00 0.00 35 E 7.93 3.75 0.00 1.94 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 2.24 2.36 0.00 36 E 7.94 4.15 0.00 2.29 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 2.58 2.51 0.00 37 W 7.72 4.83 0.00 3.87 3.25 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 38 L 7.12 3.60 0.00 0.27 0.62 -0.56 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.30 3.96 0.00 1.75 1.73 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.37 7.81 41 N 8.31 5.62 0.00 2.94 2.65 0.00 0.00 6.17 8.06 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 42 D 8.35 4.95 0.00 2.77 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 43 F 7.74 3.00 0.00 2.15 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 44 K 5.66 4.03 0.00 0.79 1.07 0.00 1.43 0.00 0.00 1.32 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.06 1.24 7.81 45 P 0.00 4.52 0.00 2.14 2.27 0.00 3.49 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.47 0.00 46 A 7.06 4.62 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 4.03 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 0.92 0.00 0.00 1.02 0.00 0.00 48 G 9.30 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 0.00 0.00 0.00 49 H 8.28 4.36 0.00 3.22 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.37 5.10 0.00 1.67 1.76 0.00 3.25 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 51 F 8.66 4.88 0.00 3.35 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 52 N 10.63 5.30 0.00 2.49 2.60 0.00 0.00 7.22 6.99 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 53 I 7.98 5.01 1.41 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.57 0.00 0.00 54 S 8.94 4.92 0.00 3.55 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 55 A 8.12 4.53 0.43 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 0.00 0.00 0.00 56 D 8.61 4.27 0.00 2.72 2.77 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 0.00 0.00 0.00 57 W 7.55 4.55 0.00 3.48 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 58 G 7.60 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 59 G 5.69 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.80 4.81 1.86 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 0.59 0.00 0.00 0.79 0.00 0.00 61 L 9.00 4.74 0.00 1.05 1.10 -0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.89 5.04 0.00 2.42 2.43 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 0.00 63 C 8.52 5.13 0.00 1.23 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.06 5.14 0.00 1.99 1.79 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 2.29 2.40 0.00 65 V 9.22 4.44 2.39 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 1.14 0.00 0.00 1.11 0.00 0.00 66 L 9.39 4.58 0.00 1.74 1.79 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.89 4.83 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 V 8.55 4.89 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 1.23 0.00 0.00 1.15 0.00 0.00 69 E 9.67 4.55 0.00 2.12 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 2.20 2.27 0.00 70 P 0.00 2.97 0.00 1.90 1.50 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 71 N 5.77 4.27 0.00 2.59 2.79 0.00 0.00 6.92 7.61 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 72 K 7.38 4.57 0.00 1.79 1.76 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.42 7.81 73 T 8.64 5.42 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 1.38 0.00 0.00 74 L 9.27 5.45 0.00 1.72 1.68 1.17 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.55 5.27 0.00 3.92 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 76 Y 8.53 5.62 0.00 3.42 3.37 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 77 T 8.93 4.62 4.33 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 1.29 0.00 0.00 78 W 9.26 5.20 0.00 3.52 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 79 N 9.04 5.50 0.00 2.66 2.81 0.00 0.00 6.33 6.79 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 80 L 8.82 4.74 0.00 1.69 1.55 1.01 1.63 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 81 A 8.68 4.97 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 82 H 9.15 4.83 0.00 3.26 3.35 0.00 5.77 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 83 Q 8.72 4.05 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 84 D 8.45 4.62 0.00 2.99 2.99 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 85 P 0.00 4.23 0.00 2.44 2.33 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 86 A 8.47 3.82 0.96 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 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.95 4.84 0.00 2.80 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 88 D 7.78 4.78 0.00 3.10 2.69 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 89 L 8.91 4.65 0.00 2.01 1.66 1.01 1.10 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 90 R 8.63 5.10 0.00 1.72 1.81 0.00 3.30 0.00 0.00 3.42 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 91 S 9.31 4.74 0.00 3.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 4.67 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 0.98 0.00 0.00 0.93 0.00 0.00 93 V 8.67 4.34 1.63 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 0.50 0.00 0.00 94 T 7.96 4.86 4.06 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 1.18 0.00 0.00 95 F 9.60 4.93 0.00 2.91 2.90 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 96 T 8.98 5.07 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 97 L 9.25 5.14 0.00 1.66 1.64 1.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.89 4.55 4.27 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 1.20 0.00 0.00 99 P 0.00 4.83 0.00 1.92 1.98 0.00 3.61 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 2.01 2.08 0.00 100 T 8.78 4.74 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 1.29 0.00 0.00 101 P 0.00 4.31 0.00 2.05 2.16 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 102 T 7.86 4.36 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 1.22 0.00 0.00 103 G 6.55 4.39 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 0.00 104 T 8.36 5.04 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 1.24 0.00 0.00 105 H 9.48 4.61 0.00 3.14 3.25 0.00 5.54 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.84 5.01 0.00 1.51 1.13 0.95 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.33 5.01 0.00 1.93 1.75 0.00 3.20 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 *109 E 8.49 4.24 0.00 1.99 1.70 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 2.18 2.25 0.00 110 Q 9.19 4.90 0.00 1.77 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.47 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 111 S 8.67 4.98 0.00 3.70 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 0.00 112 G 8.98 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 0.00 0.00 0.00 113 F 7.58 4.52 0.00 3.42 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 0.00 114 R 9.08 4.67 0.00 2.04 1.85 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 115 P 0.00 4.14 0.00 2.14 2.16 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 116 D 8.03 4.66 0.00 2.76 2.78 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 0.00 0.00 0.00 117 Q 7.96 4.67 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 118 R 7.95 3.89 0.00 1.88 1.91 0.00 3.25 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 119 R 7.99 3.87 0.00 1.96 1.90 0.00 3.34 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 120 A 8.04 4.12 1.68 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 0.00 0.00 121 Y 8.02 2.76 0.00 2.80 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 0.00 122 G 8.20 3.57 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 0.00 123 G 8.22 3.74 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 0.00 0.00 0.00 124 A 8.06 4.27 1.49 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 0.00 0.00 0.00 125 K 7.10 4.23 0.00 1.51 1.70 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.01 7.81 *127 G 8.03 3.65 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 0.00 0.00 0.00 128 W 8.25 4.15 0.00 3.44 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 0.00 129 P 0.00 4.42 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 130 Q 7.87 4.03 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 131 F 7.85 4.66 0.00 3.22 3.43 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 0.00 132 F 8.67 4.72 0.00 3.18 2.98 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 0.00 133 E 8.25 4.03 0.00 2.36 2.24 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 2.35 2.46 0.00 134 K 8.26 4.20 0.00 2.36 2.08 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.76 7.81 135 L 8.25 3.86 0.00 1.16 1.75 0.19 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 3.97 0.00 2.07 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 2.29 2.46 0.00 137 Q 7.99 4.00 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 138 L 7.93 3.96 0.00 1.79 1.96 0.98 1.38 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 0.00 139 L 7.92 4.00 0.00 1.71 1.15 0.77 0.85 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 0.00 140 D 8.46 4.68 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.69 4.10 0.00 1.96 2.02 0.00 3.18 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 142 T 7.78 4.17 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 143 D 7.32 4.59 0.00 2.84 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 0.00 144 L 8.41 4.17 0.00 1.62 1.60 0.93 0.83 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 * Residues marked with a * may have inaccurate shift predictions.