NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9942 8.2133 108.0278 45.7619 0.0000 173.4763 3 K 4.8190 7.9594 119.5532 53.8802 33.5785 172.9919 4 E 4.6055 9.8146 126.6920 54.6005 33.7373 173.7149 5 I 4.2958 8.5957 130.7086 61.6627 37.9528 175.8344 6 E 4.2681 8.8571 126.5246 55.9541 30.6585 172.8414 7 I 4.3259 8.3983 126.3733 58.6936 38.4572 173.9525 8 E 5.1275 8.4974 126.7390 54.2085 33.0408 174.6921 9 R 4.6097 8.6310 124.1179 54.1570 33.7787 174.5872 10 K 5.0870 8.0504 120.3844 56.1969 35.9030 175.0423 11 T 4.7614 8.9645 114.8070 60.8468 71.1775 172.9332 12 L 4.7771 8.6366 127.6232 55.2314 42.3862 176.6588 13 V 4.7887 8.4774 114.4410 59.3505 36.2486 175.4709 14 S 4.4071 8.5261 116.5232 57.6493 64.0329 175.2766 15 K 2.8053 8.3791 121.1796 59.2615 31.7532 178.6541 16 E 3.8877 7.9322 118.3796 59.6086 29.4123 179.1316 17 T 3.8299 8.0257 115.8955 66.5631 68.5427 176.2122 18 F 3.9927 8.1731 122.3535 61.4887 39.4013 177.4018 19 K 4.0219 8.2633 117.9896 59.3422 31.6780 179.3862 20 R 3.9379 7.8928 119.2152 59.1201 29.9256 178.5006 21 L 3.5847 8.0093 119.1343 57.6365 41.4619 179.4374 22 I 3.6005 7.5013 119.6924 64.3576 36.9129 178.4892 23 S 4.0444 7.9537 113.7963 61.5987 62.1026 176.0658 24 Q 3.9443 8.0803 121.4014 58.7606 28.9452 176.5370 25 L 4.2968 8.0262 115.3563 54.5919 42.2298 175.9027 26 H 4.0800 7.3417 115.0421 56.7809 26.3947 175.1018 27 I 4.1052 8.0699 119.7819 60.4347 37.9948 177.0004 28 G 4.1209 8.3089 113.8439 43.9062 0.0000 174.3409 29 E 4.1703 8.7588 118.0995 59.2758 29.5369 179.9400 30 G 3.8335 8.0755 106.1509 47.7749 0.0000 174.4168 31 D 4.4119 7.8627 120.1196 57.0167 41.0574 176.4584 32 F 4.4042 7.7947 117.0668 57.1284 39.6917 175.6137 33 K 4.7296 9.1234 122.7889 54.3801 35.7401 175.6062 34 L 4.7912 8.6913 125.2154 54.7070 42.4446 176.3810 35 Q 4.7518 9.4586 121.1447 54.4683 32.7232 174.0159 36 R 4.8843 9.0469 120.5366 54.6133 33.0185 174.5521 37 N 4.9635 8.9664 122.7369 52.0780 40.3708 174.0199 38 H 4.6670 9.0603 123.2691 54.6151 30.2806 174.1070 39 Y 5.3316 8.1944 122.0462 56.7265 39.8462 174.9848 40 F 5.3555 8.6223 121.4522 56.0406 42.2679 174.2740 41 E 4.9238 9.1072 120.9480 55.7067 33.6483 175.1877 42 T 4.7554 8.1767 114.3250 60.3947 70.0075 175.4556 43 D 3.9654 8.3142 122.0089 57.2204 40.9172 177.4411 44 D 4.4752 7.2359 115.2132 54.1887 41.6604 175.8510 45 F 4.0025 7.4476 117.7832 58.9495 36.4082 177.3443 46 Q 4.1171 8.7256 121.6330 58.8507 28.7342 178.4085 47 L 4.0216 8.2675 120.3319 57.6099 41.6236 179.3030 48 K 3.9341 8.2859 119.3859 59.5712 31.9241 178.9872 49 K 4.0167 7.9037 117.2631 58.9629 31.9101 178.2007 50 Q 4.4471 7.4330 115.5119 54.6942 28.9620 175.5321 51 S 3.7702 7.9667 114.4131 59.8605 61.0829 172.0176 52 S 5.0797 8.3119 114.2077 57.0108 66.3371 173.7767 53 A 4.6081 8.6810 121.4371 50.9021 22.7825 175.0338 54 L 5.2229 8.7357 124.6265 53.2895 45.0371 175.2296 55 R 5.5326 9.0780 120.9454 55.1059 33.8180 173.7345 56 I 5.1552 9.2821 121.6192 59.8056 39.9968 174.6168 57 R 4.7931 9.0821 128.8545 55.3161 31.7809 174.4412 58 E 4.6783 9.1296 128.0955 54.4444 31.7564 174.5429 59 K 4.5477 8.8900 126.7633 56.0833 36.4695 175.1294 60 E 3.8038 9.8714 124.8117 57.2524 28.4614 175.5983 61 A 3.5754 7.9970 118.8514 53.4583 17.2906 178.2459 62 I 4.3002 7.5336 116.9975 59.6262 39.3653 174.0919 63 F 5.4669 8.7518 124.3410 56.0371 42.1855 174.1616 64 T 5.0786 8.9514 119.6948 61.7198 72.1112 172.6977 65 F 5.3727 9.7258 130.0090 57.8227 40.8656 174.5199 66 T 5.1302 8.9655 122.4293 61.6410 72.9803 172.5497 67 L 4.9512 8.5804 127.5881 53.1586 44.9680 174.9761 68 K 4.8271 9.1138 126.5996 55.2712 33.9625 175.5698 69 Q 4.9205 8.6013 125.0771 53.6463 32.8729 171.9865 70 P 4.8157 0.0000 0.0000 63.7404 32.5312 175.6769 *71 H 4.9002 8.9323 118.0862 52.4458 32.4969 171.0811 72 P 4.2423 0.0000 0.0000 66.9737 31.0733 178.5123 73 A 4.0975 8.0569 118.7262 52.9842 19.0318 177.9426 74 G 3.7620 6.6571 101.7103 45.5796 0.0000 170.4141 75 L 4.8166 7.9839 121.2749 54.1342 43.1505 175.9860 76 L 4.8520 8.9081 125.6294 54.4509 42.7822 175.1604 77 E 4.7930 9.5402 125.5283 54.9736 31.4185 174.6731 78 T 4.7545 8.5508 125.4343 62.7342 69.7002 173.8780 79 N 5.4661 9.1201 124.6016 51.6891 41.6989 174.9075 80 Q 4.4115 8.8272 123.3801 55.3102 32.3774 173.7099 81 T 4.5040 8.7167 124.5810 63.8209 68.9661 174.1061 82 L 4.8488 9.1744 127.6083 52.9366 43.9435 176.9155 83 S 4.4173 8.4499 117.8564 58.1542 64.1856 176.1675 84 K 3.5761 8.5635 125.6220 59.7396 31.2675 179.4860 85 Q 4.0017 7.8369 120.0254 59.1575 29.1980 177.9052 86 E 3.8040 7.8692 118.9067 59.4307 29.5260 179.3922 87 A 3.8150 7.9056 123.0471 55.4794 18.1628 180.3528 88 K 3.7397 7.8862 122.5373 59.8881 31.6598 180.9879 89 L 4.0423 7.9238 121.5382 57.7568 41.9690 178.9819 90 A 3.6620 7.7155 120.7002 54.9684 18.1242 179.4779 91 L 4.2068 7.8913 115.8246 56.8941 41.7680 178.4614 92 E 4.4904 7.7252 117.7537 57.0391 29.4444 176.8326 93 S 4.4816 7.8588 109.5057 56.7331 64.5946 173.7056 94 A 3.1167 7.7107 122.0052 53.7092 16.2988 177.5053 95 H 4.2878 6.9889 114.5544 55.3943 29.8089 174.8874 96 F 4.5227 7.9078 123.4531 55.0812 40.5291 174.1862 97 P 4.6032 0.0000 0.0000 61.6919 32.4026 176.0094 98 S 4.4177 8.2794 113.5124 57.6475 64.0135 175.3766 99 G 3.8359 8.1361 107.1436 45.5652 0.0000 172.0708 100 E 4.0608 8.4681 118.5099 59.5869 29.9040 179.3164 101 V 3.7095 7.7088 115.1306 63.6404 30.6952 177.1294 *103 D 4.5201 8.2281 119.9082 53.8924 42.6606 177.7903 104 A 3.9844 7.7347 120.2932 55.1693 18.6205 179.2182 105 L 4.1432 8.0649 118.4960 58.7027 41.2601 180.7035 106 R 3.9772 7.9301 119.9932 61.4660 29.1617 180.4530 107 D 4.6354 7.6883 117.3204 56.6876 40.0480 177.6748 108 L 4.4442 7.5702 118.4540 53.6910 41.4444 177.0297 109 S 3.9137 7.4591 112.8519 59.4353 61.0163 172.0178 110 I 4.0925 7.0722 121.8273 59.4865 37.3473 174.1297 111 P 4.4186 0.0000 0.0000 62.5199 31.6642 177.2772 112 I 3.8658 8.5367 125.4933 64.1364 37.3815 178.6797 113 S 4.1553 8.0174 113.7342 60.9746 62.8371 175.0538 114 Q 4.0959 7.8901 121.3851 57.7181 29.1190 175.2704 115 L 4.5158 7.6890 118.4120 55.1167 42.0129 176.7942 116 K 4.9051 9.0530 123.0633 54.3913 36.2866 175.0636 117 H 4.2206 9.0592 123.4074 56.3068 29.7893 174.9668 118 I 4.1433 9.1445 118.7090 59.5028 39.0369 175.7042 119 G 3.5956 5.8000 114.4695 45.1994 0.0000 170.9443 120 T 4.8086 7.9611 116.9400 61.3270 71.4254 173.1308 121 L 4.6801 8.6491 128.7003 53.4730 44.6221 174.7919 122 S 5.0321 8.2751 120.8857 57.1624 64.2247 172.6047 123 T 4.8739 8.8322 124.5901 61.7619 71.4666 173.2128 124 S 5.0714 9.2546 122.4812 57.2919 63.6705 172.4749 125 R 5.2661 9.2127 128.7726 54.5443 32.5835 174.1211 126 A 4.7421 8.5562 128.1232 49.3224 21.1531 175.1322 127 E 5.0766 8.5425 122.9350 54.3638 32.2622 174.6022 128 I 4.7750 8.6378 119.8227 58.6551 41.7400 174.5641 129 S 4.6729 8.6601 118.3710 58.6193 63.2287 172.9527 130 Y 4.4538 8.8746 127.6184 56.6724 41.7043 174.5743 131 E 3.4145 7.9811 129.0945 58.2448 28.4168 176.3560 132 Q 4.4033 9.0674 126.2764 57.1596 29.4970 174.9243 133 G 4.4537 8.3384 107.3444 44.5064 0.0000 171.6888 134 I 5.1844 7.8585 120.1099 59.3315 41.0326 174.4423 135 L 5.1225 9.1040 129.0201 53.6422 44.3307 174.5338 136 C 5.1417 9.3034 124.5171 58.1139 30.8542 172.7016 137 L 5.1646 9.1054 124.0390 53.3945 43.7430 175.1737 138 D 5.4118 9.7407 125.6150 52.9926 43.4049 175.2778 139 H 4.4827 9.4771 125.5231 54.8715 31.0061 173.4983 140 S 5.2420 8.3580 122.6248 56.9554 65.3020 173.7725 141 S 5.0872 8.6640 117.0450 57.2009 66.8744 172.8975 142 Y 4.5455 9.5466 123.6320 56.8203 40.6966 174.9913 143 L 3.4471 9.3214 129.6844 55.6652 39.4140 174.9969 144 G 4.0462 8.3146 106.1380 45.5511 0.0000 174.4379 145 I 4.1463 7.9449 121.7104 60.7000 37.7946 174.6230 146 E 5.5057 8.4654 122.2361 55.1297 33.2171 173.6475 147 D 4.7201 8.8150 119.1445 52.8013 43.7669 173.2471 148 Y 4.9836 8.3940 115.0969 56.3888 41.8929 174.5157 149 E 5.4505 9.1579 121.9375 55.1059 33.8896 173.6031 150 I 5.2701 9.0731 119.1356 59.3117 40.9475 174.1779 151 E 5.1336 9.1228 123.0393 54.6817 33.9278 174.1232 152 F 5.1775 9.4053 126.6577 56.5880 41.7872 173.8781 153 E 4.7127 8.7670 126.7589 54.9133 30.9063 175.8304 154 G 4.4987 8.6820 112.3554 44.5752 0.0000 173.3005 155 T 4.3538 8.6600 109.7153 63.4123 69.7096 175.3627 156 S 4.7099 7.6467 115.2478 55.6969 67.3821 174.6054 157 E 3.9644 8.6918 121.7609 59.4127 29.1858 179.0444 158 E 3.8837 8.1232 118.8061 59.9686 29.7225 178.6482 159 H 4.4094 8.1087 115.3384 58.4870 28.6900 177.7184 160 A 4.3980 8.4095 123.0137 55.5988 18.2827 179.8016 161 T 3.8915 7.9943 114.1642 66.7620 68.6696 177.0677 162 V 3.6060 7.7885 120.0157 66.4602 31.6082 178.2666 163 T 3.8320 8.2654 115.8471 66.4683 68.1488 176.6326 164 F 3.9948 8.1903 122.6609 61.3952 39.3375 177.1884 165 Q 3.8925 8.2625 117.6880 58.8391 28.4600 178.4803 166 E 3.8721 8.0030 120.2149 59.1259 29.6483 178.9373 167 I 3.7584 7.6381 119.8467 64.3903 37.0875 178.3102 168 L 3.8059 7.7007 120.0275 57.5810 41.4851 179.6697 169 K 3.8974 8.1565 119.5551 59.8313 31.9957 178.9362 170 T 3.5725 8.0054 114.8048 66.3772 68.3349 175.2421 171 F 4.5765 7.8710 116.5532 56.3695 39.4164 176.1325 172 S 3.6967 7.4315 115.2853 59.8024 60.6036 172.5202 173 I 4.4436 8.3405 119.7045 59.6349 39.1872 176.0720 174 S 4.6866 8.3298 120.7233 56.3746 64.4032 173.9084 175 Q 4.1229 8.7195 126.5508 56.3679 29.2668 175.6634 176 V 4.5302 7.9852 118.1202 58.3507 34.7798 173.7971 177 P 4.1765 0.0000 0.0000 63.5292 31.3118 176.4069 178 T 4.4434 8.2460 119.3983 61.5639 70.4373 173.7430 179 E 4.2679 8.5098 126.1108 55.2825 30.6667 177.3549 180 N 4.6043 8.3373 118.2991 52.5433 39.4696 176.0272 181 K 4.0478 8.6851 121.0640 59.9999 32.2178 179.0511 182 I 3.3786 7.5938 117.9836 64.2818 37.4817 177.7710 183 Q 3.9665 7.8780 117.0052 58.9907 28.6573 178.3330 184 R 3.8619 7.8615 117.9623 58.7198 30.1545 178.2168 185 F 4.3180 7.8951 114.8595 57.1674 40.3886 175.8852 186 F 5.0206 7.9780 117.4880 56.8178 40.0309 174.8696 187 S 4.2719 8.2088 119.9566 58.6507 62.9744 173.8061 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 G 8.21 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 3 K 7.96 4.82 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.64 7.81 4 E 9.81 4.61 0.00 2.07 1.71 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 2.19 2.15 0.00 5 I 8.60 4.30 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 1.20 0.91 0.90 0.00 0.00 6 E 8.86 4.27 0.00 1.76 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 2.23 2.16 0.00 7 I 8.40 4.33 2.05 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 1.24 0.61 1.03 0.00 0.00 8 E 8.50 5.13 0.00 1.94 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 2.09 2.41 0.00 9 R 8.63 4.61 0.00 0.67 0.66 0.00 3.21 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 10 K 8.05 5.09 0.00 1.95 1.69 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.43 7.81 11 T 8.96 4.76 4.49 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 1.42 0.00 0.00 12 L 8.64 4.78 0.00 1.63 1.65 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.48 4.79 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 0.79 0.00 0.00 1.20 0.00 0.00 14 S 8.53 4.41 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 2.81 0.00 1.56 1.66 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 0.88 7.81 16 E 7.93 3.89 0.00 2.06 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 2.37 2.42 0.00 17 T 8.03 3.83 4.42 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 1.22 0.00 0.00 18 F 8.17 3.99 0.00 3.04 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 19 K 8.26 4.02 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 20 R 7.89 3.94 0.00 2.07 2.05 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 21 L 8.01 3.58 0.00 1.55 1.27 0.70 -0.07 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 22 I 7.50 3.60 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 1.05 0.00 0.00 23 S 7.95 4.04 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.08 3.94 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 25 L 8.03 4.30 0.00 1.68 1.71 0.64 1.45 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 26 H 7.34 4.08 0.00 3.29 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.07 4.11 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.74 0.00 0.00 28 G 8.31 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.76 4.17 0.00 2.20 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 0.00 2.40 1.88 0.00 30 G 8.08 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.86 4.41 0.00 2.90 2.52 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 32 F 7.79 4.40 0.00 3.25 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 33 K 9.12 4.73 0.00 1.65 1.67 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 34 L 8.69 4.79 0.00 1.53 1.59 0.92 0.88 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 35 Q 9.46 4.75 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 36 R 9.05 4.88 0.00 1.64 1.64 0.00 3.10 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 37 N 8.97 4.96 0.00 2.20 2.10 0.00 0.00 6.51 7.74 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 38 H 9.06 4.67 0.00 3.16 3.05 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.19 5.33 0.00 2.65 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 40 F 8.62 5.36 0.00 3.06 3.14 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 41 E 9.11 4.92 0.00 2.10 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 2.33 2.19 0.00 42 T 8.18 4.76 4.38 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 0.00 0.00 1.20 0.00 0.00 43 D 8.31 3.97 0.00 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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 S 8.31 5.08 0.00 3.75 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 53 A 8.68 4.61 1.18 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 0.00 0.00 0.00 0.00 0.00 54 L 8.74 5.22 0.00 1.70 1.59 0.26 0.44 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 55 R 9.08 5.53 0.00 2.00 2.30 0.00 3.06 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 56 I 9.28 5.16 2.25 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 1.42 1.17 1.17 0.00 0.00 57 R 9.08 4.79 0.00 1.93 1.85 0.00 3.07 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 58 E 9.13 4.68 0.00 2.10 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 1.92 1.47 0.00 59 K 8.89 4.55 0.00 1.78 1.51 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.33 7.81 60 E 9.87 3.80 0.00 2.19 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 2.15 2.24 0.00 61 A 8.00 3.58 1.39 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 62 I 7.53 4.30 1.86 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 1.32 1.30 0.90 0.00 0.00 63 F 8.75 5.47 0.00 3.01 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 64 T 8.95 5.08 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 1.28 0.00 0.00 65 F 9.73 5.37 0.00 2.93 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 66 T 8.97 5.13 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 1.27 0.00 0.00 67 L 8.58 4.95 0.00 1.41 1.29 0.83 0.28 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 68 K 9.11 4.83 0.00 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0.00 1.45 1.07 7.81 85 Q 7.84 4.00 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 86 E 7.87 3.80 0.00 2.10 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 0.00 2.25 2.26 0.00 87 A 7.91 3.81 0.57 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 88 K 7.89 3.74 0.00 1.76 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 89 L 7.92 4.04 0.00 1.72 1.68 0.81 0.75 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 90 A 7.72 3.66 1.11 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 0.00 0.00 91 L 7.89 4.21 0.00 1.57 1.64 0.85 0.71 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 92 E 7.73 4.49 0.00 1.90 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 2.23 2.33 0.00 93 S 7.86 4.48 0.00 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0.00 119 G 5.80 3.60 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 0.00 0.00 0.00 120 T 7.96 4.81 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 0.96 0.00 0.00 121 L 8.65 4.68 0.00 2.02 1.51 -0.03 0.81 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 0.00 122 S 8.28 5.03 0.00 3.87 3.78 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 0.00 123 T 8.83 4.87 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 1.27 0.00 0.00 124 S 9.25 5.07 0.00 3.88 3.82 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 0.00 125 R 9.21 5.27 0.00 2.02 1.79 0.00 3.13 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 126 A 8.56 4.74 -0.18 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 0.00 0.00 0.00 0.00 0.00 127 E 8.54 5.08 0.00 1.88 1.75 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 2.15 2.24 0.00 128 I 8.64 4.77 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.21 0.87 0.00 0.00 129 S 8.66 4.67 0.00 3.93 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 0.00 130 Y 8.87 4.45 0.00 3.16 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 0.00 131 E 7.98 3.41 0.00 2.31 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 1.99 2.27 0.00 132 Q 9.07 4.40 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 133 G 8.34 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 0.00 0.00 0.00 0.00 134 I 7.86 5.18 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.87 0.00 0.00 135 L 9.10 5.12 0.00 1.89 1.61 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 136 C 9.30 5.14 0.00 2.99 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 0.00 137 L 9.11 5.16 0.00 1.54 1.40 0.58 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 138 D 9.74 5.41 0.00 2.70 2.68 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 0.00 139 H 9.48 4.48 0.00 2.94 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.36 5.24 0.00 3.85 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 0.00 141 S 8.66 5.09 0.00 3.72 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 0.00 142 Y 9.55 4.55 0.00 2.70 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 0.00 143 L 9.32 3.45 0.00 1.24 1.39 0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.31 4.05 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 0.00 0.00 0.00 145 I 7.94 4.15 2.20 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.89 0.00 0.00 146 E 8.47 5.51 0.00 1.85 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 2.17 2.27 0.00 147 D 8.82 4.72 0.00 2.78 2.70 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 0.00 0.00 0.00 148 Y 8.39 4.98 0.00 3.03 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 0.00 149 E 9.16 5.45 0.00 2.16 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 0.00 2.39 2.37 0.00 150 I 9.07 5.27 1.98 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 1.48 0.81 0.97 0.00 0.00 151 E 9.12 5.13 0.00 1.97 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 2.24 2.32 0.00 152 F 9.41 5.18 0.00 3.37 3.01 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 0.00 153 E 8.77 4.71 0.00 1.62 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 2.11 2.29 0.00 154 G 8.68 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.35 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 1.29 0.00 0.00 156 S 7.65 4.71 0.00 4.01 3.98 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 0.00 157 E 8.69 3.96 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 2.32 0.00 158 E 8.12 3.88 0.00 1.98 1.80 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 2.35 2.40 0.00 159 H 8.11 4.41 0.00 3.38 3.42 0.00 5.70 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 0.00 160 A 8.41 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.99 3.89 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 1.26 0.00 0.00 162 V 7.79 3.61 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 1.06 0.00 0.00 1.00 0.00 0.00 163 T 8.27 3.83 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 0.77 0.00 0.00 164 F 8.19 3.99 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 0.00 165 Q 8.26 3.89 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 166 E 8.00 3.87 0.00 2.12 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 2.28 2.50 0.00 167 I 7.64 3.76 1.64 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.28 0.71 0.00 0.00 168 L 7.70 3.81 0.00 1.64 1.75 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.16 3.90 0.00 1.84 1.72 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 170 T 8.01 3.57 3.81 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 0.31 0.00 0.00 171 F 7.87 4.58 0.00 3.01 3.01 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 0.00 172 S 7.43 3.70 0.00 4.02 3.88 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 0.00 173 I 8.34 4.44 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.91 0.00 0.00 174 S 8.33 4.69 0.00 3.85 3.79 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 0.00 0.00 0.00 175 Q 8.72 4.12 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 176 V 7.99 4.53 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 0.86 0.00 0.00 0.97 0.00 0.00 177 P 0.00 4.18 0.00 2.03 2.02 0.00 3.62 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 2.03 2.12 0.00 178 T 8.25 4.44 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 1.28 0.00 0.00 179 E 8.51 4.27 0.00 1.91 1.84 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 2.28 2.26 0.00 180 N 8.34 4.60 0.00 2.99 2.94 0.00 0.00 5.92 6.92 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 0.00 181 K 8.69 4.05 0.00 1.97 2.14 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.72 1.64 7.81 182 I 7.59 3.38 0.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.07 0.79 0.00 0.00 183 Q 7.88 3.97 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 184 R 7.86 3.86 0.00 1.82 1.54 0.00 3.01 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.96 0.00 185 F 7.90 4.32 0.00 2.50 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 0.00 0.00 0.00 186 F 7.98 5.02 0.00 3.13 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 0.00 187 S 8.21 4.27 0.00 3.90 3.96 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 * Residues marked with a * may have inaccurate shift predictions.