NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4325 8.3193 115.2894 58.1353 63.0033 171.8451 -1 N 4.8116 8.2624 115.0313 50.4577 40.5879 173.8699 0 A 4.0677 9.3756 117.8738 53.9967 19.4444 180.1191 0 H 4.4777 9.5556 112.2738 56.4967 29.3444 176.4191 3 T 3.8346 8.2970 116.0639 66.6814 68.2570 176.2765 4 A 4.0091 7.8844 121.9733 55.0921 18.3800 179.3401 5 L 3.1802 7.7274 118.2286 58.0558 42.1502 178.9975 6 I 3.4759 7.4785 119.2112 64.3676 36.8617 177.8482 7 N 4.2139 8.0384 116.2457 56.6306 38.7968 176.6337 8 H 4.3675 8.1013 119.2392 59.4156 29.9680 177.3213 9 I 3.1595 7.6844 121.7837 64.2839 36.6384 178.4526 10 R 4.3164 7.7433 118.4520 57.6709 29.9096 178.6912 11 K 3.7582 7.4616 117.9012 58.3458 31.8661 177.5166 12 F 4.8453 7.9474 115.9979 57.3481 41.3656 174.8879 13 I 4.7962 7.3082 112.0220 58.8785 40.7091 173.3661 14 F 4.5331 8.6696 122.9528 57.1963 40.0301 174.6408 15 L 4.3778 7.2140 128.7325 52.5045 44.7159 176.4416 16 T 3.9953 8.2753 116.7686 61.1780 71.0332 175.3426 17 D 4.2711 8.4100 121.0747 57.4159 40.7949 178.9356 18 E 3.9429 8.0607 118.6961 59.4867 29.5507 178.8700 19 D 4.3594 8.1656 118.6310 57.2579 40.8868 178.6137 20 A 4.0241 8.1757 121.4513 55.1015 18.4969 179.8364 21 G 3.5453 7.9950 104.0598 48.2565 0.0000 175.7651 22 T 3.8201 7.6378 117.1922 66.2861 68.9350 176.0059 23 L 4.4269 8.4162 122.3457 58.5242 42.1617 179.1502 24 S 4.1149 8.2928 114.8389 61.5425 62.4801 176.3138 25 A 3.9227 7.5864 122.1682 55.3795 18.0452 179.3464 26 F 4.3193 7.9502 114.5609 58.4462 39.3514 175.5409 27 F 5.0446 7.8551 117.5883 56.0419 40.4195 175.4216 28 Q 4.8022 9.1540 122.9903 54.0760 31.0332 175.1175 29 L 4.6329 8.5617 123.7000 54.7344 42.8478 176.4787 30 K 4.5986 9.2972 124.4108 54.8431 35.5397 174.6895 31 K 5.1263 8.8481 126.6986 54.8296 34.2142 176.0921 32 V 4.6010 8.3914 116.9425 59.4653 35.9014 175.6367 33 R 4.7894 8.5752 122.2738 55.2866 30.9869 176.6676 34 K 4.0747 8.6055 120.4436 57.6917 33.2692 176.4798 35 K 4.0450 8.2728 118.8385 57.5929 30.2991 174.8608 36 E 4.5325 8.2373 119.9386 55.2875 31.2167 174.8434 37 T 4.7477 8.6020 124.0292 63.4455 68.8426 174.4969 38 L 4.6140 9.1544 126.2442 55.2881 43.4984 176.6008 39 L 4.7583 7.6766 119.5751 53.7492 45.7300 173.9047 40 K 3.9374 8.8208 124.5725 53.9471 35.5608 175.8599 41 T 3.7980 6.4973 119.3144 65.6910 68.7048 174.0078 42 G 3.9281 8.9492 115.1140 45.0000 0.0000 173.3318 43 E 4.1982 7.8350 121.3478 55.4358 30.9858 176.0916 44 I 4.0641 8.3308 127.3886 61.9775 37.8479 174.9342 45 C 4.5054 8.7838 128.5168 58.9481 32.2944 173.6625 46 R 4.8723 8.9592 123.6011 55.7366 32.4228 175.0832 47 I 5.1035 7.9520 119.5411 59.3278 40.3949 174.1287 48 N 4.6040 9.0789 125.6563 51.9754 41.2589 172.8121 49 Y 5.4028 9.0497 123.4946 56.2976 41.0807 174.2157 50 F 4.3695 9.1880 126.7296 56.3291 41.6366 174.6983 51 V 3.9232 7.4461 126.7415 62.0350 31.5172 176.6290 52 V 3.4714 8.4431 129.2109 65.3952 31.8875 176.4182 53 K 4.4462 7.9622 118.4029 55.9142 36.6011 175.2024 54 G 3.8539 9.8888 107.2319 44.2430 0.0000 171.7971 55 C 4.6997 8.4902 118.7367 58.7726 34.9709 174.1910 56 L 5.3089 9.0671 126.9331 53.1220 44.4609 175.6362 57 R 4.8783 8.9925 117.4569 54.3066 33.1828 173.6643 58 L 5.3296 8.6057 123.7188 53.4559 44.3142 175.1737 59 F 5.7694 9.1205 120.4665 55.7090 42.1643 172.7765 60 F 5.4342 8.9588 113.6492 55.4847 41.9628 173.1689 61 I 4.8528 8.6318 119.9399 59.8918 38.7799 175.8861 62 D 5.0231 8.6105 127.3255 52.0831 41.6712 177.0887 63 E 4.0394 8.9777 117.0007 58.9998 29.4155 178.1753 64 K 4.2090 8.2755 116.1375 56.1289 32.5017 177.2904 65 G 3.8942 8.3258 107.3487 45.5682 0.0000 173.0151 66 I 4.3792 8.1772 121.2394 58.9939 39.1975 175.1747 67 E 4.3832 8.7252 126.7759 56.7514 30.1549 176.1962 68 Q 4.4135 8.7243 124.0947 54.2639 31.3155 174.7954 69 T 4.6419 8.3998 121.5928 63.3606 68.7956 175.0099 70 T 4.4947 8.8433 124.2078 65.7762 69.8388 174.5535 71 Q 4.5233 7.1745 116.9106 55.8266 31.5836 172.6209 72 F 5.3499 8.8477 117.1559 55.5921 43.0819 174.9674 73 A 4.6019 9.2140 121.4806 50.7955 22.1765 176.0939 74 I 4.9226 8.3739 117.2798 58.3297 41.1808 174.6142 75 E 4.0803 8.6695 119.3585 58.5746 29.2709 176.9610 76 N 3.8908 8.6882 118.4887 53.0870 37.1887 173.9164 77 W 4.9687 7.6983 118.6612 55.0661 32.1410 174.8503 78 W 5.5863 9.3203 120.2344 55.3243 31.7272 175.2785 79 L 5.1205 9.6748 124.1944 54.2805 45.5465 174.8469 80 S 4.7074 7.9920 118.4427 57.7919 65.8919 173.2109 81 D 4.5745 8.3276 120.6506 52.9935 39.9872 176.9712 82 Y 4.4518 8.0875 128.2898 57.8709 37.7731 178.4611 *84 A 4.2129 8.1685 124.1802 52.2978 20.6871 179.5109 85 F 4.4388 9.0918 117.8612 60.8101 39.5194 177.4572 86 Q 3.6682 8.2528 117.1025 58.4558 28.4983 177.0991 87 K 3.9850 7.7645 115.2969 55.7116 33.0194 175.9317 88 Q 3.2549 7.1084 117.0094 56.9379 26.5062 171.9525 89 Q 4.6641 7.9080 114.5410 53.3453 33.2514 173.5614 90 P 4.6353 0.0000 0.0000 62.8679 32.0379 176.6204 91 A 4.3143 8.8101 125.5413 52.1522 19.0390 178.4886 92 D 4.3860 9.5038 120.9800 55.7175 41.3592 176.6278 93 F 5.1664 7.8977 115.5863 55.6202 42.8262 174.3324 94 Y 4.4642 9.0870 118.2226 57.3428 39.7283 174.7463 95 I 5.0456 8.3985 122.7040 59.7256 40.4382 174.5360 96 Q 5.1384 9.0074 126.8551 54.3343 33.1385 174.0147 97 S 4.6163 9.1054 120.6362 58.8399 63.9080 174.7644 98 V 4.0376 9.0261 122.3005 64.1900 32.6190 175.0453 99 E 4.8588 7.8055 117.6189 53.6837 33.9138 175.0256 100 N 4.6823 8.7506 117.7443 54.3593 39.1601 174.7300 101 C 5.1681 9.2235 119.6529 57.9813 33.0353 172.6607 102 E 5.0838 9.0885 120.8911 54.7024 31.8853 175.2820 103 L 5.3127 9.3500 123.9322 52.8759 46.3880 175.2804 104 L 5.4777 9.0404 121.4341 53.1092 44.5083 175.7514 105 S 5.4142 9.4098 118.1409 56.6733 66.2677 172.8588 106 I 4.8749 8.5186 121.3053 59.4981 41.7236 174.7152 107 T 4.9135 8.5158 117.5266 60.8314 70.3591 175.0719 108 Y 3.6676 8.7538 123.6160 61.4164 38.5752 179.0275 109 T 3.6349 7.8215 115.7602 66.5271 68.5096 176.4646 110 E 3.6672 7.9896 120.4843 59.2373 29.4526 179.1407 111 Q 3.4658 8.2837 119.8524 58.9425 28.9243 178.0645 112 E 3.8999 7.7954 119.7435 59.4504 29.3905 178.8044 113 N 4.1448 7.8652 116.8830 56.5252 38.9124 176.5573 114 L 3.6344 7.4892 121.8409 58.0934 41.8791 178.7990 115 F 4.3707 7.8304 117.7104 60.6550 38.5867 177.3878 116 E 3.9931 7.7069 117.8965 59.4204 29.5944 178.8307 117 R 4.3037 8.1510 117.1272 57.8593 31.4905 177.1490 118 I 4.5679 8.2462 120.8415 58.0484 37.6868 174.1374 119 P 4.6904 0.0000 0.0000 64.2620 31.3213 177.3751 120 A 4.1392 8.3103 119.6242 55.2761 18.0322 179.2745 121 L 4.2268 8.2989 117.0562 57.4220 41.5277 179.2707 122 E 4.1136 8.5725 119.3687 59.5898 29.4029 179.2547 123 R 3.9119 7.9328 118.5825 59.4074 30.0565 177.7391 124 Y 3.9531 8.0673 118.8142 61.0121 38.7921 178.2388 125 F 3.3484 8.5326 118.6143 59.7658 38.8283 177.7001 126 R 3.9139 8.3702 119.2058 59.4870 29.8806 178.5775 127 L 3.7637 7.7539 118.6587 57.5372 41.4562 179.5990 128 V 3.1344 7.0414 118.2780 66.2180 31.3108 177.8083 129 Y 4.4249 7.8070 116.7272 60.8210 37.5607 178.0209 130 Q 4.1100 8.4382 121.0361 59.2944 29.2300 178.6055 131 K 4.1120 8.1784 119.4647 59.5580 32.0032 179.6160 132 S 4.4395 8.7703 115.9547 61.6722 62.7341 176.5393 133 F 4.4311 8.9274 123.5907 61.2066 39.2620 176.7423 134 A 3.7188 8.3049 120.4138 55.2618 18.0805 179.4840 135 A 3.9280 8.2130 118.7472 55.2813 18.4490 179.6905 136 A 3.9623 8.2903 119.4737 55.2881 18.2786 179.7152 137 Q 3.8007 8.0697 116.8267 59.2155 28.8518 179.2478 138 L 3.9241 7.7045 119.4683 57.9861 41.5950 179.8482 139 R 4.1629 8.3171 118.0734 59.3317 29.9279 179.0456 140 S 4.1639 8.1402 113.0937 61.2034 62.1424 176.0837 141 K 3.7200 7.3874 121.4638 59.4930 31.9119 178.4448 142 F 4.5887 7.4391 116.3681 60.3311 39.0174 177.6503 143 Q 4.2205 8.8714 117.8091 58.9991 28.5562 176.7007 144 H 4.5379 8.8233 121.2537 56.0103 29.0127 175.0323 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 S 8.32 4.43 0.00 3.84 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 -1 N 8.26 4.81 0.00 3.01 2.87 0.00 0.00 5.85 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 0 A 9.38 4.07 1.31 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 0.00 0.00 0.00 0 H 9.56 4.48 0.00 3.08 3.14 0.00 7.12 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.30 3.83 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 4 A 7.88 4.01 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.73 3.18 0.00 1.18 1.49 -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.48 3.48 1.78 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 1.52 0.37 0.80 0.00 0.00 7 N 8.04 4.21 0.00 2.88 2.87 0.00 0.00 7.04 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.10 4.37 0.00 3.55 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.68 3.16 1.63 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.32 0.56 0.00 0.00 10 R 7.74 4.32 0.00 1.84 1.88 0.00 3.01 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 11 K 7.46 3.76 0.00 0.79 0.74 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 1.46 7.81 12 F 7.95 4.85 0.00 3.19 3.10 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 0.00 0.00 0.00 13 I 7.31 4.80 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 1.13 0.00 0.00 14 F 8.67 4.53 0.00 3.00 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 15 L 7.21 4.38 0.00 1.37 1.23 0.85 0.83 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 16 T 8.28 4.00 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 1.26 0.00 0.00 17 D 8.41 4.27 0.00 2.67 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 18 E 8.06 3.94 0.00 2.05 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 2.40 2.46 0.00 19 D 8.17 4.36 0.00 2.85 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 20 A 8.18 4.02 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 21 G 8.00 3.55 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 0.00 0.00 0.00 22 T 7.64 3.82 4.46 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 0.00 0.00 0.00 1.35 0.00 0.00 23 L 8.42 4.43 0.00 1.81 1.95 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.29 4.11 0.00 3.96 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 3.92 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 26 F 7.95 4.32 0.00 3.18 2.82 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 0.00 0.00 0.00 27 F 7.86 5.04 0.00 3.11 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 28 Q 9.15 4.80 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 29 L 8.56 4.63 0.00 1.54 1.63 0.77 0.79 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 30 K 9.30 4.60 0.00 1.94 1.86 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.50 7.81 31 K 8.85 5.13 0.00 1.67 1.70 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.45 7.81 32 V 8.39 4.60 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 0.80 0.00 0.00 0.90 0.00 0.00 33 R 8.58 4.79 0.00 1.73 1.86 0.00 3.34 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 34 K 8.61 4.07 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.43 7.81 35 K 8.27 4.04 0.00 1.94 1.93 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.34 7.81 36 E 8.24 4.53 0.00 2.26 1.81 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 2.27 2.30 0.00 37 T 8.60 4.75 4.35 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 1.51 0.00 0.00 38 L 9.15 4.61 0.00 1.34 1.63 0.31 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.68 4.76 0.00 1.81 1.54 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.82 3.94 0.00 1.53 1.24 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 41 T 6.50 3.80 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 1.17 0.00 0.00 42 G 8.95 3.93 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 0.00 0.00 0.00 43 E 7.84 4.20 0.00 2.02 1.94 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 2.29 2.28 0.00 44 I 8.33 4.06 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.88 0.00 0.00 45 C 8.78 4.51 0.00 3.07 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 46 R 8.96 4.87 0.00 1.82 1.94 0.00 3.14 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 47 I 7.95 5.10 1.70 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.17 0.00 0.00 48 N 9.08 4.60 0.00 1.98 2.74 0.00 0.00 6.73 7.11 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 49 Y 9.05 5.40 0.00 3.14 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 50 F 9.19 4.37 0.00 1.51 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 0.00 0.00 0.00 0.00 51 V 7.45 3.92 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 0.78 0.00 0.00 0.89 0.00 0.00 52 V 8.44 3.47 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 0.85 0.00 0.00 1.04 0.00 0.00 53 K 7.96 4.45 0.00 1.65 1.58 0.00 2.02 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 54 G 9.89 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 0.00 0.00 0.00 55 C 8.49 4.70 0.00 3.03 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 56 L 9.07 5.31 0.00 1.65 1.54 0.82 0.76 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 57 R 8.99 4.88 0.00 1.21 1.83 0.00 2.56 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 58 L 8.61 5.33 0.00 1.63 1.36 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.12 5.77 0.00 3.12 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 60 F 8.96 5.43 0.00 3.16 3.13 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 0.00 0.00 0.00 0.00 61 I 8.63 4.85 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 0.92 0.00 0.00 62 D 8.61 5.02 0.00 2.94 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 63 E 8.98 4.04 0.00 2.02 2.09 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 2.35 2.39 0.00 64 K 8.28 4.21 0.00 1.87 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.44 7.81 65 G 8.33 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 66 I 8.18 4.38 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.84 0.00 0.00 67 E 8.73 4.38 0.00 1.57 1.46 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 0.00 2.14 2.15 0.00 68 Q 8.72 4.41 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 69 T 8.40 4.64 4.13 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 0.00 0.00 0.00 0.46 0.00 0.00 70 T 8.84 4.49 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 1.24 0.00 0.00 71 Q 7.17 4.52 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 72 F 8.85 5.35 0.00 2.84 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 73 A 9.21 4.60 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 74 I 8.37 4.92 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.33 0.87 0.00 0.00 75 E 8.67 4.08 0.00 2.00 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 0.00 2.29 2.28 0.00 76 N 8.69 3.89 0.00 2.71 2.74 0.00 0.00 6.93 8.27 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 77 W 7.70 4.97 0.00 3.47 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 78 W 9.32 5.59 0.00 3.47 3.62 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 0.00 0.00 0.00 0.00 79 L 9.67 5.12 0.00 1.87 1.62 1.03 0.85 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 80 S 7.99 4.71 0.00 3.38 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 81 D 8.33 4.57 0.00 2.81 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 82 Y 8.09 4.45 0.00 3.15 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 *84 A 8.17 4.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 4.44 0.00 2.99 3.26 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 0.00 86 Q 8.25 3.67 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 87 K 7.76 3.99 0.00 1.67 1.89 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 88 Q 7.11 3.25 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 89 Q 7.91 4.66 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 90 P 0.00 4.64 0.00 1.90 2.12 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 91 A 8.81 4.31 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 92 D 9.50 4.39 0.00 2.42 1.89 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 93 F 7.90 5.17 0.00 2.85 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 94 Y 9.09 4.46 0.00 1.43 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 0.00 0.00 0.00 95 I 8.40 5.05 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.83 0.00 0.00 96 Q 9.01 5.14 0.00 2.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 97 S 9.11 4.62 0.00 4.17 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 98 V 9.03 4.04 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 0.82 0.00 0.00 1.20 0.00 0.00 99 E 7.81 4.86 0.00 1.90 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 2.25 2.28 0.00 100 N 8.75 4.68 0.00 2.59 2.76 0.00 0.00 6.65 7.66 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 0.00 101 C 9.22 5.17 0.00 2.78 2.73 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 0.00 102 E 9.09 5.08 0.00 1.83 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 2.21 2.23 0.00 103 L 9.35 5.31 0.00 1.63 1.70 0.72 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.04 5.48 0.00 1.71 1.82 0.89 1.15 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 0.00 105 S 9.41 5.41 0.00 3.68 4.11 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 0.00 106 I 8.52 4.87 0.78 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 1.02 0.00 0.00 107 T 8.52 4.91 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 1.24 0.00 0.00 108 Y 8.75 3.67 0.00 2.13 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 0.00 109 T 7.82 3.63 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 1.17 0.00 0.00 110 E 7.99 3.67 0.00 2.04 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 2.50 2.33 0.00 111 Q 8.28 3.47 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 112 E 7.80 3.90 0.00 1.79 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 1.47 1.50 0.00 113 N 7.87 4.14 0.00 2.66 2.52 0.00 0.00 6.90 6.25 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 0.00 114 L 7.49 3.63 0.00 1.22 1.31 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.83 4.37 0.00 3.23 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 0.00 116 E 7.71 3.99 0.00 1.91 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 0.00 2.34 2.36 0.00 117 R 8.15 4.30 0.00 1.96 2.05 0.00 3.41 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 118 I 8.25 4.57 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.96 0.00 0.00 119 P 0.00 4.69 0.00 2.22 2.16 0.00 3.96 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 2.16 2.22 0.00 120 A 8.31 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.23 0.00 2.07 2.08 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.57 4.11 0.00 2.14 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 2.56 2.47 0.00 123 R 7.93 3.91 0.00 1.88 2.18 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 124 Y 8.07 3.95 0.00 3.03 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 0.00 125 F 8.53 3.35 0.00 3.31 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 0.00 126 R 8.37 3.91 0.00 1.94 2.07 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 127 L 7.75 3.76 0.00 1.30 1.10 0.94 0.60 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 0.00 128 V 7.04 3.13 1.19 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 0.75 0.00 0.00 -0.25 0.00 0.00 129 Y 7.81 4.42 0.00 3.04 2.82 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 0.00 0.00 0.00 130 Q 8.44 4.11 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 131 K 8.18 4.11 0.00 2.05 2.04 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.55 7.81 132 S 8.77 4.44 0.00 4.23 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 0.00 133 F 8.93 4.43 0.00 3.12 3.35 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 0.00 134 A 8.30 3.72 1.40 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 0.00 135 A 8.21 3.93 1.34 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 0.00 0.00 136 A 8.29 3.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.07 3.80 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.05 1.38 0.00 138 L 7.70 3.92 0.00 1.92 1.89 1.04 0.86 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 0.00 139 R 8.32 4.16 0.00 2.07 2.07 0.00 3.20 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 140 S 8.14 4.16 0.00 3.95 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 0.00 141 K 7.39 3.72 0.00 1.43 1.27 0.00 1.57 0.00 0.00 1.13 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.64 1.15 7.81 142 F 7.44 4.59 0.00 3.16 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 0.00 143 Q 8.87 4.22 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 144 H 8.82 4.54 0.00 3.11 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.98 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.