NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5460 8.2185 120.1928 53.6806 42.6694 176.0488 3 A 3.8539 8.5496 124.3662 54.9419 18.1584 178.5745 4 A 4.0050 10.6000 121.0251 55.2661 18.4207 178.0984 5 E 3.9271 8.0806 116.6638 59.2112 29.3550 179.2509 6 V 3.9309 7.4356 117.5328 65.2434 31.8681 177.5317 7 E 4.1129 7.9532 119.6531 59.2471 29.6835 178.1100 8 F 4.3836 8.4356 122.3467 60.9105 39.2891 177.2326 9 L 3.9544 7.8233 116.8259 57.4976 41.4738 179.2260 10 A 3.0944 7.7786 120.5712 54.4934 18.1280 179.2476 11 E 4.0920 7.6269 115.8786 58.7083 29.6953 178.7370 12 K 4.3279 7.5199 117.0100 57.5669 32.6850 177.1700 13 E 4.1850 7.7952 120.2925 56.1896 30.5148 176.2906 14 L 4.8445 8.4772 124.0113 54.5268 43.1933 176.9230 15 V 4.4926 9.0362 123.0708 59.9852 34.5468 174.8793 16 T 4.5074 8.6594 116.6574 61.6646 70.1293 173.2498 17 I 5.0190 8.9050 116.9701 59.3225 42.0252 174.0950 18 I 5.0863 8.7830 123.2113 57.4315 39.7677 172.9164 19 P 4.8859 0.0000 0.0000 62.2087 32.8819 176.3474 20 N 4.9952 8.6794 117.3185 52.4412 37.4028 173.8008 21 F 5.2217 7.6448 112.9909 55.6458 41.6805 173.4516 22 S 5.4137 8.5585 112.4045 55.8245 65.3270 173.1705 23 L 4.7237 8.1701 122.4842 54.1257 45.5019 173.6892 24 D 4.8873 8.8883 124.1269 53.3023 42.0802 176.0249 25 K 3.8459 8.1855 121.8207 56.3596 32.9441 175.3086 26 I 4.3159 8.3126 120.0068 59.7497 39.0260 174.7380 27 Y 4.5125 8.2287 122.3861 56.4315 37.3758 174.8513 28 L 4.4707 8.5324 124.5280 53.5328 42.8850 178.4642 29 I 3.8519 8.6122 115.6065 64.0184 37.6084 177.7525 30 G 3.7580 8.3569 109.0869 47.8414 0.0000 172.9998 31 G 3.9901 7.6643 106.0582 44.5276 0.0000 170.4826 32 D 4.7765 8.5398 119.8489 52.5501 42.6370 176.5102 33 L 4.2508 8.4247 127.8405 53.2850 42.5916 177.0910 34 G 3.9458 8.4956 111.8258 44.8809 0.0000 169.7507 35 P 4.3103 0.0000 0.0000 62.6556 32.2790 176.2143 36 F 4.5642 8.8808 122.1842 56.1340 40.8114 174.5423 37 N 5.2177 8.2987 122.0879 50.3413 41.2639 172.5131 38 P 4.9178 0.0000 0.0000 63.5454 31.7550 176.9660 39 G 3.9402 8.7644 106.8757 45.6933 0.0000 173.1794 40 L 4.7924 7.3229 119.8636 51.9039 44.6319 174.3154 41 P 4.6819 0.0000 0.0000 62.8211 32.2258 176.1121 42 V 4.2279 9.0180 124.1681 60.9241 34.5988 174.2198 43 E 4.5499 8.8732 128.9059 56.4694 29.8933 176.8552 44 V 4.5631 8.4015 123.1152 58.8447 35.8444 173.4408 45 P 4.5342 0.0000 0.0000 62.2070 31.9360 177.3172 46 L 3.8841 8.9090 124.8147 58.2654 41.7149 179.6897 47 W 4.1688 7.9963 116.3967 59.4915 27.9650 178.1532 48 L 3.6156 6.4565 120.3971 57.2823 41.4671 178.4176 49 A 3.8574 7.6437 120.7637 55.2724 17.8879 179.3532 50 I 3.5714 7.7985 118.3748 64.8665 37.0098 178.1698 51 N 4.3574 7.6853 116.0361 56.7753 38.6119 176.5126 52 L 3.9485 7.9400 120.7413 57.3344 41.3027 179.0465 53 K 3.8044 8.2405 119.5451 58.8796 31.9885 177.9013 54 Q 4.2455 7.4235 116.6724 57.4988 29.3708 176.3766 55 R 4.3477 8.8460 118.2165 55.1709 30.7165 176.9772 56 Q 3.6165 7.6992 118.0905 56.5208 29.0678 174.5627 57 K 4.5140 7.5943 114.7019 58.2534 31.7762 175.6907 58 C 5.1332 7.5486 113.4022 57.7912 32.9525 173.0743 59 R 4.4324 8.2667 118.0950 55.0768 32.6750 174.7386 60 L 4.2284 8.6051 127.6668 54.9566 42.2406 177.1160 61 L 4.3243 8.3874 127.8693 52.6753 41.7314 174.0004 62 P 4.0296 0.0000 0.0000 61.8431 31.7825 174.9079 63 P 4.3033 0.0000 0.0000 62.6339 31.3919 176.9656 64 E 3.9107 8.6357 116.7435 57.9478 29.8453 177.6667 65 W 4.4631 6.6811 118.4179 54.4963 26.9999 173.1100 *67 D 4.2774 7.8925 123.1416 54.4779 41.1960 175.8843 68 V 3.5165 8.5820 127.8867 65.5071 30.7881 177.8523 69 E 4.0472 7.6057 118.5103 58.1769 29.7313 178.4570 70 K 4.2498 8.8752 119.6268 58.9642 32.4161 178.8921 71 L 4.2425 7.8883 116.5374 56.7994 41.7261 178.4004 72 E 4.2207 7.9290 119.1255 58.6477 29.5970 178.4476 73 K 4.1635 7.6932 114.3076 57.6792 31.6973 178.2986 *75 R 4.3241 7.9114 120.8866 56.4314 31.9538 177.0349 76 D 4.4977 8.0153 117.3922 57.4840 41.0962 177.9406 77 H 4.1110 8.6118 119.0118 59.6240 29.4110 176.8212 78 E 4.1372 7.9333 120.0073 59.7314 29.6505 178.5754 79 R 3.7749 8.2453 118.0602 57.8798 29.6374 179.0108 80 K 4.0325 7.6591 122.3514 60.0377 33.0603 178.1220 81 E 3.8728 7.5677 116.9350 57.5943 29.3336 178.1035 82 E 3.9471 8.2419 122.7645 56.5769 30.3701 173.9894 83 T 4.2274 7.1463 110.7771 59.7612 69.3429 173.4141 84 F 4.3292 8.2937 122.1636 57.6228 39.7180 175.4013 85 T 4.5056 9.4716 121.9687 61.2498 69.9799 173.2474 86 P 4.7843 0.0000 0.0000 61.7457 32.6944 174.4432 *88 P 4.2305 0.0000 0.0000 62.1275 32.6329 176.3280 89 S 4.6775 6.8032 112.5744 54.7293 63.9734 172.2141 90 P 4.3754 0.0000 0.0000 64.6768 31.3716 175.9560 91 Y 4.8946 8.1731 116.3524 56.1698 39.2016 176.7471 92 Y 4.2190 8.1545 114.6204 57.6709 37.9424 177.8481 *94 E 4.2386 8.2636 121.9593 57.2561 31.8398 178.3130 95 L 4.2689 8.4573 119.3100 58.0125 41.3870 179.6621 96 T 4.0756 8.5276 116.0890 66.4646 68.4139 176.8436 97 K 3.8343 8.0688 121.1113 59.4123 32.3647 178.5525 98 L 4.1780 8.0942 119.0139 57.2987 41.5095 178.5244 99 L 4.3736 8.4491 116.6038 55.6581 41.2059 178.1492 100 L 4.4371 7.3337 117.6410 54.7227 43.9882 177.3682 101 N 4.4789 7.8136 115.7883 55.6372 39.2762 175.0141 102 H 4.7098 8.1540 111.3707 57.3294 31.9915 174.4333 103 A 4.6043 7.3398 121.5210 51.8951 19.0345 179.3623 104 S 4.2087 8.2364 117.0721 62.7335 62.7121 174.4877 105 D 4.4209 7.1591 120.9727 55.3926 40.8612 177.3468 106 N 4.2046 8.1355 123.5819 55.6504 39.5163 174.9814 107 I 4.2497 7.4399 119.6133 58.8639 38.3599 173.8235 108 P 4.2149 0.0000 0.0000 63.4236 32.5142 176.2450 109 K 3.7278 8.1651 121.2606 58.2892 29.4380 176.2565 110 A 3.3792 7.8272 115.5707 55.1968 17.4092 178.8789 111 D 4.4541 9.3671 125.8445 55.0885 42.8155 177.0830 112 E 3.9643 8.1337 119.6931 59.9946 30.0067 178.9511 113 I 3.7941 7.6082 119.2358 64.3603 37.2342 178.1321 114 R 4.1435 7.3229 114.6474 57.8251 30.0401 176.3907 115 T 4.6184 8.4326 109.5873 62.0757 70.3972 175.4431 116 L 4.1382 7.7610 121.3808 57.1538 42.0162 178.7100 117 V 3.9623 7.6894 117.2705 65.7747 32.1392 177.0831 118 K 4.1560 8.3032 118.8647 59.7380 31.7254 177.9998 119 D 4.5932 7.9436 114.3247 54.8275 40.7751 177.3642 *121 W 4.9135 7.9284 129.3737 57.1823 32.2332 177.0389 122 D 4.3755 8.7921 118.6864 57.6265 40.3252 178.8156 123 T 4.0426 8.0662 109.6231 64.0008 68.7408 176.9585 124 R 3.9083 7.6183 121.2407 59.2495 30.3740 178.2064 125 I 3.3144 7.4038 118.0927 63.8143 37.7908 177.8331 126 A 3.9459 7.4851 120.5527 55.0832 18.3980 179.8010 127 K 3.8783 7.7121 116.2888 58.9134 31.8317 179.5036 128 L 4.1072 8.0251 121.1945 58.2445 42.0360 178.9127 129 R 3.9235 7.5862 118.0743 59.4029 30.0894 179.1280 130 V 3.5846 7.6013 117.3727 66.2358 31.4194 178.2456 131 S 4.1624 8.5649 114.8997 61.5172 62.6969 176.5260 132 A 4.0283 8.8477 124.1361 55.1842 18.0635 179.1962 133 D 4.3306 8.5541 116.9622 57.5293 41.3307 178.2327 134 S 4.0882 8.2132 113.6703 61.4472 62.3410 175.8024 135 F 4.0180 8.4927 123.4545 61.3525 39.1018 177.3683 136 V 3.6175 8.1107 117.6470 66.2369 31.2209 178.2796 137 R 3.9785 8.0187 116.5835 59.0901 29.9921 178.2227 138 Q 4.1751 8.0326 114.8201 55.0546 29.5631 175.5783 139 Q 3.3378 7.6827 118.1578 56.8325 26.7981 173.9803 140 E 3.8785 7.3715 115.4486 56.3074 30.1536 177.4872 141 A 4.6266 8.1165 122.4404 52.6628 20.6782 175.7038 142 H 4.8647 7.8063 112.8225 55.6481 32.7753 172.3620 143 A 4.3043 7.6211 122.0289 51.0355 21.7268 176.2979 144 K 4.3076 8.4847 124.4731 56.3672 33.4308 176.8662 145 L 4.7057 7.8829 123.4527 53.7985 42.7185 178.0177 146 D 4.3041 8.1919 120.0540 57.5485 41.2123 177.9402 147 N 4.5258 7.9518 113.3163 54.0198 38.9206 175.0838 148 L 4.2592 7.0811 119.1700 53.9562 42.9377 175.8960 149 T 4.5703 7.9306 108.8373 59.4809 71.7498 174.4553 150 L 3.7505 8.2092 123.0326 56.4942 42.5724 179.2747 *152 E 4.1744 8.2513 118.7615 56.5358 31.1740 178.1606 153 I 3.7532 7.8268 111.1083 62.6326 37.8896 176.5484 154 N 4.9713 8.5853 119.5599 53.4208 38.6387 174.8147 155 T 4.6417 7.6930 105.9583 61.3506 70.4484 174.5910 156 S 4.6813 7.8903 115.8135 57.4316 65.3169 175.9382 157 G 3.7670 8.1561 109.3795 47.6768 0.0000 175.6520 158 T 3.8994 7.9812 118.5561 66.1140 68.4812 176.1146 159 F 3.8979 8.2262 121.7283 61.3716 39.4991 176.8362 160 L 4.1167 8.5442 119.8324 57.9487 41.7631 179.0645 161 T 3.9484 7.8226 115.8576 66.4644 68.6589 176.9696 162 Q 3.8485 8.4575 120.0558 58.6312 28.4366 178.4854 163 A 3.8806 7.5082 120.8294 55.4585 18.5076 179.5062 164 L 4.1482 7.4543 115.3745 57.8489 41.8738 179.4748 165 N 4.5966 8.0030 116.6453 56.4710 38.4658 178.1754 166 H 4.4279 7.9931 115.1248 56.5887 28.3896 176.7079 *168 Y 4.5260 7.8628 124.0069 57.6577 40.7322 177.2632 169 K 4.0527 8.4017 119.1604 59.5074 31.8632 179.3735 170 L 4.0213 8.1514 118.6444 57.4733 41.6106 178.6773 171 R 4.2746 7.1878 114.7169 56.9406 29.7746 176.7220 172 T 4.5857 7.4803 107.5320 62.1112 69.4247 175.4671 173 N 4.4991 8.3486 121.1303 55.3399 37.7118 175.1553 174 L 4.6240 7.4301 118.5658 55.0779 41.1017 176.2822 175 Q 3.8600 7.6668 123.3465 57.3891 29.2299 173.5042 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 D 8.22 4.55 0.00 2.69 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 3 A 8.55 3.85 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 4 A 10.60 4.01 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 5 E 8.08 3.93 0.00 2.04 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 2.32 2.34 0.00 6 V 7.44 3.93 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 0.95 0.00 0.00 1.03 0.00 0.00 7 E 7.95 4.11 0.00 2.07 2.18 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 2.37 2.36 0.00 8 F 8.44 4.38 0.00 3.22 3.28 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 9 L 7.82 3.95 0.00 2.11 1.60 1.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.78 3.09 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 11 E 7.63 4.09 0.00 2.23 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 0.00 2.39 2.43 0.00 12 K 7.52 4.33 0.00 1.77 1.83 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.25 7.81 13 E 7.80 4.18 0.00 2.06 1.91 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 2.09 2.46 0.00 14 L 8.48 4.84 0.00 1.55 1.59 0.93 0.86 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 15 V 9.04 4.49 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 0.75 0.00 0.00 0.91 0.00 0.00 16 T 8.66 4.51 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 1.20 0.00 0.00 17 I 8.90 5.02 1.88 0.00 0.00 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 1.12 1.06 0.88 0.00 0.00 18 I 8.78 5.09 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 0.90 2.07 0.99 0.00 0.00 19 P 0.00 4.89 0.00 1.45 2.04 0.00 3.87 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 1.88 1.85 0.00 20 N 8.68 5.00 0.00 2.89 2.97 0.00 0.00 6.68 7.17 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 21 F 7.64 5.22 0.00 3.03 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 22 S 8.56 5.41 0.00 3.84 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 23 L 8.17 4.72 0.00 2.08 1.87 1.04 1.43 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 24 D 8.89 4.89 0.00 2.64 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 25 K 8.19 3.85 0.00 1.49 1.53 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.62 1.25 7.81 26 I 8.31 4.32 1.94 0.00 0.00 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 1.50 0.63 1.02 0.00 0.00 27 Y 8.23 4.51 0.00 3.03 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 28 L 8.53 4.47 0.00 2.01 1.71 1.11 0.83 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 29 I 8.61 3.85 1.91 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 1.40 0.56 0.95 0.00 0.00 30 G 8.36 3.76 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 0.00 0.00 0.00 31 G 7.66 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 32 D 8.54 4.78 0.00 2.74 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 33 L 8.42 4.25 0.00 1.70 1.63 0.92 0.52 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 34 G 8.50 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 0.00 0.00 0.00 35 P 0.00 4.31 0.00 1.93 1.91 0.00 3.50 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 36 F 8.88 4.56 0.00 2.78 2.45 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 37 N 8.30 5.22 0.00 2.55 2.64 0.00 0.00 6.76 8.03 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 38 P 0.00 4.92 0.00 2.14 2.02 0.00 3.38 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 39 G 8.76 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 40 L 7.32 4.79 0.00 1.78 1.49 0.89 1.04 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 41 P 0.00 4.68 0.00 1.90 1.97 0.00 3.58 0.00 0.00 3.55 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 42 V 9.02 4.23 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 0.83 0.00 0.00 1.03 0.00 0.00 43 E 8.87 4.55 0.00 1.86 1.87 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 2.30 2.29 0.00 44 V 8.40 4.56 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 0.78 0.00 0.00 0.84 0.00 0.00 45 P 0.00 4.53 0.00 1.02 1.91 0.00 3.24 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 46 L 8.91 3.88 0.00 1.82 1.77 0.96 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 47 W 8.00 4.17 0.00 3.61 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 48 L 6.46 3.62 0.00 0.27 1.06 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.64 3.86 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 50 I 7.80 3.57 2.02 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 1.76 1.40 0.74 0.00 0.00 51 N 7.69 4.36 0.00 2.81 2.98 0.00 0.00 7.33 8.75 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 52 L 7.94 3.95 0.00 1.82 1.59 0.84 0.42 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 53 K 8.24 3.80 0.00 1.81 1.79 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.45 7.81 54 Q 7.42 4.25 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 55 R 8.85 4.35 0.00 1.91 1.78 0.00 3.28 0.00 0.00 2.94 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 56 Q 7.70 3.62 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 57 K 7.59 4.51 0.00 1.46 1.17 0.00 1.14 0.00 0.00 0.73 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.27 7.81 58 C 7.55 5.13 0.00 2.94 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 59 R 8.27 4.43 0.00 1.91 2.01 0.00 3.09 0.00 0.00 3.16 7.14 0.00 0.00 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0.00 0.00 131 S 8.56 4.16 0.00 4.10 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 0.00 132 A 8.85 4.03 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 0.00 133 D 8.55 4.33 0.00 2.82 2.86 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 0.00 134 S 8.21 4.09 0.00 4.05 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 0.00 135 F 8.49 4.02 0.00 3.26 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 0.00 136 V 8.11 3.62 2.31 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 1.04 0.00 0.00 1.20 0.00 0.00 137 R 8.02 3.98 0.00 1.82 1.98 0.00 3.22 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 138 Q 8.03 4.18 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 139 Q 7.68 3.34 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 140 E 7.37 3.88 0.00 1.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 141 A 8.12 4.63 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 0.00 142 H 7.81 4.86 0.00 3.11 3.23 0.00 5.97 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 0.00 143 A 7.62 4.30 1.26 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 0.00 0.00 144 K 8.48 4.31 0.00 1.76 1.72 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 145 L 7.88 4.71 0.00 1.57 1.37 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.19 4.30 0.00 2.65 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 0.00 147 N 7.95 4.53 0.00 2.74 3.05 0.00 0.00 6.91 7.85 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 0.00 148 L 7.08 4.26 0.00 1.49 1.35 -0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.93 4.57 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 1.26 0.00 0.00 150 L 8.21 3.75 0.00 1.66 1.77 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *152 E 8.25 4.17 0.00 2.07 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 2.35 2.35 0.00 153 I 7.83 3.75 1.76 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 1.13 0.92 0.81 0.00 0.00 154 N 8.59 4.97 0.00 2.77 2.85 0.00 0.00 6.94 7.68 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 0.00 155 T 7.69 4.64 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 0.00 156 S 7.89 4.68 0.00 3.82 3.84 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 0.00 157 G 8.16 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 0.00 0.00 0.00 158 T 7.98 3.90 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 1.23 0.00 0.00 159 F 8.23 3.90 0.00 3.13 3.22 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 0.00 160 L 8.54 4.12 0.00 1.96 1.68 0.72 1.24 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 0.00 161 T 7.82 3.95 4.58 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 1.19 0.00 0.00 162 Q 8.46 3.85 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 163 A 7.51 3.88 1.16 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 0.00 0.00 164 L 7.45 4.15 0.00 1.75 1.81 1.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.00 4.60 0.00 2.84 2.81 0.00 0.00 6.90 8.20 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 0.00 166 H 7.99 4.43 0.00 3.34 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *168 Y 7.86 4.53 0.00 3.14 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 0.00 169 K 8.40 4.05 0.00 2.05 1.86 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.77 7.81 170 L 8.15 4.02 0.00 1.57 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.19 4.27 0.00 1.78 1.87 0.00 3.19 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 172 T 7.48 4.59 4.07 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 0.72 0.00 0.00 173 N 8.35 4.50 0.00 2.81 2.96 0.00 0.00 6.02 7.79 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 0.00 174 L 7.43 4.62 0.00 1.71 1.71 0.90 0.49 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 0.00 175 Q 7.67 3.86 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.