NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.3617 8.4029 116.7544 55.9724 32.2463 178.4907 11 R 3.8808 8.0804 116.8415 58.5094 29.6163 178.1159 *12 H 4.6623 8.8235 112.4629 55.0623 29.5483 178.4710 13 R 4.1776 7.3063 117.7114 56.5076 30.5483 176.2581 14 V 4.5638 7.8969 121.7437 60.2495 33.3134 174.5736 15 H 4.5320 8.8925 127.7577 56.1551 30.1576 175.2584 16 L 4.7788 8.3545 123.0444 54.4612 42.1651 175.3734 17 R 4.3243 8.6195 118.2561 57.1772 32.7760 175.7002 *25 V 4.0786 7.5708 116.7285 61.8611 32.3587 173.5203 26 P 4.6018 0.0000 0.0000 62.4331 31.9219 176.0157 27 A 4.3553 8.6301 124.3629 52.1747 19.5606 177.2573 28 T 4.4293 8.4289 117.0148 62.2540 69.8024 174.1084 29 L 4.6773 8.3226 126.7798 53.1296 44.5149 175.4696 30 H 5.3379 8.6898 119.6378 54.1509 32.2337 173.0788 31 L 4.4668 9.3722 127.9217 53.8303 42.4132 175.7389 32 L 4.7525 8.3891 126.6262 53.2793 42.8071 174.8622 33 P 4.8450 0.0000 0.0000 62.9223 31.8361 175.3108 34 C 4.8415 7.8906 114.0486 57.8294 32.6819 173.1744 35 E 4.5498 8.6417 116.8996 54.2532 31.0728 177.0166 36 V 4.1772 8.1752 123.3783 61.0089 32.9972 175.1664 37 A 4.5975 8.3915 124.9121 51.7510 19.1253 177.2064 38 V 4.6147 7.3319 114.9426 60.5458 34.6345 175.3595 39 D 4.7927 8.4041 120.1066 52.0447 41.1115 175.0932 40 G 4.0837 7.5687 109.1338 43.6890 0.0000 168.1088 41 P 4.4244 0.0000 0.0000 62.3283 31.9551 175.9013 42 A 4.6369 8.0839 123.1137 49.2572 22.6778 176.0303 43 P 4.7010 0.0000 0.0000 62.0272 28.3784 177.5793 44 V 3.8011 7.6333 121.1870 66.8695 31.8743 177.0744 45 G 3.9378 8.3060 106.4206 48.3008 0.0000 175.6865 46 R 4.3042 8.0862 120.7618 59.1812 29.9580 179.8350 47 F 4.7384 8.2065 113.8396 59.3940 40.5008 177.4228 48 F 4.3604 8.2236 119.6756 61.3091 39.0950 177.1877 49 T 3.9414 8.1277 109.6982 64.5235 68.2765 174.4869 50 P 4.2747 0.0000 0.0000 64.7324 31.5333 177.6758 51 A 4.2421 7.3889 118.4961 53.1543 18.3735 177.2505 52 I 3.8825 6.8680 118.2339 61.8038 37.5182 176.0760 53 R 4.7314 9.3546 126.5351 54.3250 33.7921 174.6814 54 Q 4.6888 8.6540 122.3621 54.9117 30.3315 175.0522 55 G 4.3715 8.2188 116.8940 43.1764 0.0000 170.5757 56 P 4.3464 0.0000 0.0000 65.3492 32.2870 177.0320 57 E 4.5848 8.0540 112.6124 53.8293 30.4794 176.2021 58 G 3.8011 7.8406 108.3260 44.0401 0.0000 171.2973 59 L 4.7021 8.2976 120.6062 55.1149 43.0608 177.1272 60 E 5.6119 9.4882 120.9176 54.9493 33.4321 174.4398 61 V 4.7029 8.6328 122.2254 59.6321 35.3172 173.1381 62 S 5.1760 8.4508 116.2482 56.5548 65.4669 172.8864 63 F 4.8135 8.9445 126.3294 57.2585 41.0966 175.1899 64 R 3.2315 8.8391 126.5589 57.2576 27.3188 176.5323 65 G 3.9094 8.3752 101.9716 46.3678 0.0000 174.1228 66 R 4.6283 7.5986 118.2576 53.6474 32.9524 174.7723 67 C 4.6694 8.6279 123.0093 59.4277 33.2475 171.9542 68 L 5.3065 9.2708 125.9793 53.2588 44.7824 175.4656 69 R 5.1649 9.2390 124.2157 54.7386 32.3722 176.0740 70 G 3.7253 8.9421 112.6435 45.1166 0.0000 171.2373 71 E 4.8281 8.4274 118.4671 55.1194 34.4897 172.8821 72 E 4.2592 8.5127 120.4055 55.8627 30.8461 176.1825 73 V 4.0675 8.4039 126.0806 60.0167 32.9358 174.8583 74 A 4.6778 8.4529 130.3872 51.1276 19.6210 177.1035 75 V 3.9008 8.4262 121.8024 60.7906 31.4892 174.7328 76 P 4.3557 0.0000 0.0000 61.7269 31.6800 173.7827 77 P 4.3400 0.0000 0.0000 64.5641 31.4455 176.4247 78 G 3.8905 9.3804 110.3029 45.4656 0.0000 172.5661 79 L 4.6670 7.4375 117.3567 52.3777 44.9115 176.1622 80 V 4.0522 8.3841 122.8534 60.7229 33.5719 174.6014 81 G 3.0297 7.4384 114.5503 45.0763 0.0000 172.1888 82 Y 5.3649 8.5811 122.1669 56.0826 41.9552 175.2637 83 V 4.4943 8.9483 121.7167 61.7229 33.9909 174.4715 84 M 5.3916 8.8520 127.0815 53.5931 33.6330 175.5905 85 V 4.4645 8.3230 121.6398 61.0080 34.9554 177.0763 86 T 3.1302 8.7724 116.9913 62.7444 67.2465 173.5401 *117 D 4.4284 8.6311 120.2687 55.2980 41.3284 174.2093 118 R 4.8463 8.2746 124.9575 55.6403 32.7739 174.1448 *119 F 4.9317 8.2631 116.9227 57.0502 42.1679 173.9775 120 I 4.4183 8.8539 124.0186 58.7014 40.5357 174.4126 121 G 4.4275 8.1493 112.2633 44.3212 0.0000 171.7208 122 A 4.8420 8.6159 127.6937 51.1157 18.6472 177.3934 123 T 4.0993 9.0007 112.7040 64.8083 69.0725 174.9111 124 A 4.9733 7.9144 122.0259 49.0755 23.5194 172.9522 125 N 5.5340 8.5817 115.7634 52.2216 42.5653 172.8064 126 F 5.3885 8.4907 117.3179 56.0479 41.7147 174.6169 127 S 4.3518 9.0434 112.2176 58.0880 65.6616 174.1318 128 R 5.3807 8.3444 116.8834 54.4034 34.3931 174.5823 129 F 5.0792 9.0845 116.2905 55.6256 41.6421 173.5270 130 T 4.3850 8.9449 120.0248 62.6431 69.9863 173.2796 131 L 4.8121 8.4150 129.4269 53.3495 43.7260 175.0571 132 W 5.0401 8.9954 126.3631 54.9543 31.7082 175.7005 133 G 4.4027 8.9417 109.2670 42.8969 0.0000 171.5754 134 L 4.5274 8.6656 125.2616 55.6893 42.4080 178.3186 135 E 4.1255 9.4172 127.6940 57.7613 29.5053 175.1967 136 T 4.7509 8.0854 113.7870 61.1363 72.5292 173.3923 137 I 3.9450 8.3168 125.4162 60.7683 37.6398 174.4537 138 P 4.2376 0.0000 0.0000 62.4111 31.8242 176.7029 139 G 3.8951 8.5563 112.4042 44.4439 0.0000 172.1591 140 P 4.3993 0.0000 0.0000 64.8407 31.3215 177.2285 141 D 4.4513 8.0209 117.2044 54.5958 39.9137 177.0059 142 A 4.1317 7.7672 123.4030 52.0971 20.0126 178.5414 143 K 3.9885 8.7096 123.2222 59.2659 31.8136 180.0041 144 V 3.6359 7.7758 118.2963 66.2367 31.3476 178.2271 145 R 3.9492 8.0280 116.1290 59.0527 29.9660 178.8346 146 G 3.7451 8.0845 105.4038 47.7146 0.0000 175.7439 147 A 4.1959 8.2695 125.6485 55.4657 18.1538 180.3200 148 L 4.2586 7.5057 119.6981 59.5362 41.2584 182.3931 149 T 4.2932 7.9384 114.5614 66.6829 68.3215 176.5049 150 W 4.7345 7.8525 129.5128 60.4817 30.8778 176.3157 151 P 3.5851 0.0000 0.0000 65.1354 30.5847 178.7606 152 S 4.0732 7.8102 112.9658 60.9492 62.9762 176.4417 153 L 3.8449 7.6531 123.2551 57.7670 42.0306 178.2473 154 A 3.5924 7.2490 120.6058 55.2006 17.8956 179.3397 155 A 3.8211 7.3548 117.1123 55.3115 18.7207 179.3872 156 A 4.0941 7.3820 116.4285 54.9692 18.3660 179.8256 157 I 3.6543 7.2685 116.8738 65.1366 37.2200 177.1405 158 H 4.4143 8.1194 113.7583 56.0483 28.5536 175.4661 159 A 4.0607 7.5354 125.4770 52.2632 18.1288 178.7167 160 Q 4.2476 8.5857 121.9094 55.3798 28.9758 173.3713 161 V 4.0941 8.0640 118.2336 61.8859 31.6158 175.4950 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 10 E 8.40 4.36 0.00 1.91 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 2.21 1.88 0.00 11 R 8.08 3.88 0.00 1.91 1.87 0.00 3.22 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 *12 H 8.82 4.66 0.00 2.92 2.99 0.00 7.16 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.31 4.18 0.00 2.11 1.82 0.00 3.08 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 14 V 7.90 4.56 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 0.95 0.00 0.00 0.92 0.00 0.00 15 H 8.89 4.53 0.00 3.10 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.35 4.78 0.00 1.42 1.44 0.92 0.76 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 17 R 8.62 4.32 0.00 1.75 1.91 0.00 3.20 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 *25 V 7.57 4.08 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 0.83 0.00 0.00 0.95 0.00 0.00 26 P 0.00 4.60 0.00 2.14 2.02 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 27 A 8.63 4.36 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 28 T 8.43 4.43 4.31 0.00 0.00 0.00 0.00 0.00 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 29 L 8.32 4.68 0.00 1.27 1.40 0.64 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.69 5.34 0.00 2.89 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.37 4.47 0.00 1.96 1.90 0.93 0.77 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 32 L 8.39 4.75 0.00 1.43 1.41 0.37 0.44 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 33 P 0.00 4.85 0.00 2.24 2.34 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 34 C 7.89 4.84 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 35 E 8.64 4.55 0.00 1.99 1.76 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 2.14 1.83 0.00 36 V 8.18 4.18 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 0.98 0.00 0.00 0.91 0.00 0.00 37 A 8.39 4.60 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 38 V 7.33 4.61 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 0.79 0.00 0.00 0.92 0.00 0.00 39 D 8.40 4.79 0.00 2.60 2.58 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 40 G 7.57 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 41 P 0.00 4.42 0.00 2.05 1.99 0.00 3.61 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 2.02 2.07 0.00 42 A 8.08 4.64 1.14 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 0.00 0.00 43 P 0.00 4.70 0.00 2.57 2.34 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 44 V 7.63 3.80 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 1.05 0.00 0.00 0.90 0.00 0.00 45 G 8.31 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 0.00 0.00 0.00 46 R 8.09 4.30 0.00 1.92 1.85 0.00 3.23 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.27 0.00 47 F 8.21 4.74 0.00 3.20 3.20 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 0.00 48 F 8.22 4.36 0.00 3.07 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 49 T 8.13 3.94 4.30 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 1.36 0.00 0.00 50 P 0.00 4.27 0.00 2.19 2.19 0.00 3.69 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 1.92 1.97 0.00 51 A 7.39 4.24 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 52 I 6.87 3.88 1.99 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 1.11 0.20 1.05 0.00 0.00 53 R 9.35 4.73 0.00 1.66 1.80 0.00 3.25 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 54 Q 8.65 4.69 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 55 G 8.22 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 56 P 0.00 4.35 0.00 2.19 2.19 0.00 3.72 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 1.99 1.96 0.00 57 E 8.05 4.58 0.00 1.96 1.76 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 2.11 1.83 0.00 58 G 7.84 3.80 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 0.00 0.00 0.00 59 L 8.30 4.70 0.00 1.44 1.74 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.49 5.61 0.00 1.56 1.76 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 2.12 2.08 0.00 61 V 8.63 4.70 1.55 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 -0.46 0.00 0.00 0.31 0.00 0.00 62 S 8.45 5.18 0.00 3.85 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 63 F 8.94 4.81 0.00 3.12 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 64 R 8.84 3.23 0.00 1.73 1.77 0.00 3.28 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 65 G 8.38 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 66 R 7.60 4.63 0.00 2.10 1.85 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 67 C 8.63 4.67 0.00 3.04 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 68 L 9.27 5.31 0.00 1.68 1.85 0.91 0.78 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 69 R 9.24 5.16 0.00 1.83 1.89 0.00 3.21 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 70 G 8.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.83 0.00 1.60 1.74 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 2.13 2.12 0.00 72 E 8.51 4.26 0.00 1.75 1.78 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 2.21 1.87 0.00 73 V 8.40 4.07 1.04 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 0.87 0.00 0.00 0.56 0.00 0.00 74 A 8.45 4.68 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 75 V 8.43 3.90 2.15 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 nan 0.00 0.00 0.86 0.00 0.00 76 P 0.00 4.36 0.00 2.23 2.24 0.00 3.74 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 2.08 2.00 0.00 77 P 0.00 4.34 0.00 2.18 2.09 0.00 3.75 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 1.97 1.95 0.00 78 G 9.38 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 0.00 0.00 0.00 79 L 7.44 4.67 0.00 1.84 1.48 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.38 4.05 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 0.31 0.00 0.00 0.88 0.00 0.00 81 G 7.44 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 0.00 0.00 0.00 82 Y 8.58 5.36 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.95 4.49 2.19 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 1.02 0.00 0.00 1.07 0.00 0.00 84 M 8.85 5.39 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 85 V 8.32 4.46 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 0.82 0.00 0.00 0.94 0.00 0.00 86 T 8.77 3.13 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 *117 D 8.63 4.43 0.00 2.72 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 0.00 118 R 8.27 4.85 0.00 1.48 1.82 0.00 3.20 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 *119 F 8.26 4.93 0.00 2.00 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 0.00 0.00 0.00 120 I 8.85 4.42 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.39 0.95 0.00 0.00 121 G 8.15 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 0.00 0.00 0.00 0.00 122 A 8.62 4.84 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 0.00 123 T 9.00 4.10 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 1.24 0.00 0.00 124 A 7.91 4.97 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 0.00 125 N 8.58 5.53 0.00 2.66 2.55 0.00 0.00 6.39 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 0.00 126 F 8.49 5.39 0.00 3.09 3.04 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 0.00 127 S 9.04 4.35 0.00 3.78 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 0.00 128 R 8.34 5.38 0.00 1.70 1.80 0.00 3.16 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 129 F 9.08 5.08 0.00 2.83 3.07 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 0.00 130 T 8.94 4.39 4.45 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 0.85 0.00 0.00 131 L 8.41 4.81 0.00 1.42 1.35 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.00 5.04 0.00 3.44 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 0.00 133 G 8.94 4.40 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 0.00 134 L 8.67 4.53 0.00 1.86 1.64 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.42 4.13 0.00 2.20 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 0.00 2.29 2.31 0.00 136 T 8.09 4.75 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 1.22 0.00 0.00 137 I 8.32 3.95 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.83 0.00 0.00 138 P 0.00 4.24 0.00 2.04 2.03 0.00 3.64 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 2.04 2.13 0.00 139 G 8.56 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 0.00 0.00 0.00 140 P 0.00 4.40 0.00 2.19 2.20 0.00 3.77 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 1.99 1.95 0.00 141 D 8.02 4.45 0.00 2.80 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 0.00 142 A 7.77 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.71 3.99 0.00 1.92 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.07 7.81 144 V 7.78 3.64 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 1.25 0.00 0.00 1.00 0.00 0.00 145 R 8.03 3.95 0.00 2.00 2.00 0.00 3.37 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 146 G 8.08 3.75 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 0.00 0.00 0.00 147 A 8.27 4.20 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 0.00 148 L 7.51 4.26 0.00 1.76 1.60 0.92 0.93 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 0.00 149 T 7.94 4.29 4.40 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 1.26 0.00 0.00 150 W 7.85 4.73 0.00 3.47 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 0.00 151 P 0.00 3.59 0.00 2.07 1.90 0.00 3.82 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 152 S 7.81 4.07 0.00 4.01 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 0.00 153 L 7.65 3.84 0.00 1.83 1.92 0.97 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.25 3.59 0.19 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 0.00 155 A 7.35 3.82 1.28 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 0.00 0.00 0.00 156 A 7.38 4.09 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 0.00 157 I 7.27 3.65 1.83 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 1.30 0.73 0.80 0.00 0.00 158 H 8.12 4.41 0.00 3.13 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.54 4.06 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 0.00 160 Q 8.59 4.25 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 161 V 8.06 4.09 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 0.88 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.