NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2987 8.2993 122.1415 54.3186 33.5409 176.1195 8 S 4.3689 8.3104 119.2275 56.2136 65.3846 173.4714 9 D 4.3711 8.8215 121.9023 57.7280 40.9153 180.5248 10 R 3.8475 7.9137 118.2696 59.4231 30.0980 178.0961 11 Q 3.9405 8.0245 119.2604 59.3753 29.0425 178.0786 12 Q 4.0078 8.2198 119.0747 59.1980 28.7851 178.6710 13 N 4.3237 8.7238 117.6230 56.5002 38.5687 177.5131 14 Q 3.9887 8.1766 119.1014 59.3198 28.8990 178.3820 15 T 3.9653 8.1138 117.0111 67.0924 68.5651 176.4662 16 R 3.9274 8.2009 119.4409 59.2274 30.1323 178.7851 17 L 3.9845 8.0176 119.8649 58.0220 42.0331 178.8719 18 W 4.4904 8.2937 128.1162 60.5962 30.6063 177.6362 19 L 3.7136 7.9690 118.9620 58.0830 41.0751 179.4122 20 N 4.2925 8.3064 116.1016 56.2683 38.4683 177.5768 21 I 3.6972 7.8920 121.2130 64.3550 37.1462 178.4299 22 L 3.6592 7.5899 119.9911 57.6027 41.3457 179.7321 23 R 3.8263 8.0181 118.1612 59.2197 30.0582 178.9599 24 L 3.9105 7.9496 119.8627 58.3094 42.0752 178.0536 25 H 4.1758 8.6916 118.8039 59.5233 29.8487 177.2840 26 G 3.6019 8.3346 107.4079 47.8824 0.0000 175.6523 27 L 4.0488 7.8363 120.4607 57.2388 41.8166 179.4745 28 V 3.7715 7.9509 118.2089 65.5924 31.5407 177.9038 29 F 3.8941 8.4444 120.7028 61.3066 39.4311 177.1469 30 G 3.7935 8.1309 104.8931 47.9208 0.0000 175.1079 31 D 4.3760 7.8848 120.1173 56.4494 41.2492 178.1925 32 L 3.7485 7.8246 120.9382 58.2124 42.0129 178.3463 33 N 4.0336 7.9448 116.8207 56.8507 38.8541 176.7209 34 R 3.8752 7.7667 119.4730 59.5665 30.0854 178.5289 35 Q 3.9627 8.3725 118.2890 58.7409 28.6211 178.3263 36 L 3.8320 8.1281 121.7708 57.8497 42.0327 179.1604 37 L 4.0888 7.8314 120.3460 57.2428 41.4266 178.6579 38 D 4.2976 7.7284 116.4263 57.7402 41.2655 178.1629 39 E 4.1743 8.2358 117.0930 58.8818 29.6279 177.8316 40 T 4.4822 7.6917 112.0091 61.8431 71.6587 175.6165 41 G 3.9011 8.7046 108.5183 45.5917 0.0000 173.0518 42 L 4.6797 7.1690 119.7578 53.0160 43.5328 176.7322 43 S 4.4449 8.3658 118.6349 57.8243 65.0563 175.3616 44 L 3.9604 9.4221 125.7654 58.3355 41.7849 179.1534 45 A 4.1296 8.1884 120.1981 55.3044 18.0602 179.6416 46 K 3.9321 8.0110 114.9655 59.5686 32.3690 178.6935 47 F 4.3161 8.5049 119.8535 61.4407 39.0671 176.0832 48 D 4.5346 8.8708 117.5346 57.4216 40.9743 179.2999 49 A 3.8511 7.7959 118.2486 52.8379 18.5725 178.8662 *51 A 3.3701 7.9765 125.2755 53.5639 20.5703 180.2103 52 Q 3.9112 7.4932 113.0795 58.9889 28.9581 178.6704 53 L 3.9889 7.5735 119.3609 57.6514 41.4393 179.3708 54 A 3.7735 7.2899 119.1622 54.9815 18.2929 179.2449 55 R 4.0407 7.7116 116.3053 57.8301 31.6840 176.4171 56 N 4.9163 7.6597 116.5507 50.6580 38.5028 172.8701 57 P 4.4655 0.0000 0.0000 63.8634 32.2476 178.0276 58 D 4.3487 7.8330 118.3725 55.2188 41.2314 177.0598 59 G 4.3654 8.0969 105.8475 44.8781 0.0000 173.0696 60 L 4.8817 7.9204 119.3262 52.4280 46.5768 175.9457 61 S 5.3882 7.5825 120.5657 57.5695 62.4565 176.0174 *63 G 3.8690 9.0514 107.3432 45.4178 0.0000 174.7988 64 K 4.0512 7.8729 118.3510 58.6749 32.3656 178.9904 65 L 4.0519 8.1470 121.0066 58.2357 41.8897 178.8530 66 S 4.2032 8.1768 112.6156 61.5671 62.1286 176.3016 67 G 3.6189 8.4657 106.8605 46.8859 0.0000 174.4150 68 A 4.5265 7.4390 120.2029 51.1909 20.1429 177.2910 69 L 4.0699 7.1057 118.1469 54.9451 42.1772 177.5562 70 K 4.2358 8.8567 122.1341 57.6899 32.7596 177.3742 71 V 4.2888 8.1940 119.2782 61.0335 32.4731 175.5187 72 T 4.0255 8.5640 117.8465 62.8655 70.0286 174.1419 73 N 3.7858 9.5725 124.0298 54.7425 37.4096 174.2581 74 G 3.8424 10.3439 116.1686 45.7643 0.0000 173.1649 75 N 3.9748 8.6606 114.2555 53.2144 36.8056 174.3635 76 V 3.6548 8.2362 123.4448 64.8190 31.2346 178.4449 77 S 4.3127 8.1548 114.7208 60.8901 62.9293 176.4470 78 G 3.2554 8.0714 108.8827 47.1966 0.0000 175.3605 79 L 3.9590 8.3377 123.0314 58.0908 42.1271 179.1499 80 V 3.6417 8.2913 118.5591 66.1194 31.4928 177.4512 81 N 4.2459 8.9938 117.3132 56.6444 38.3300 177.5472 82 R 3.9566 7.8717 118.7085 59.2889 29.9299 179.1739 83 L 4.0301 7.6852 117.4816 57.6573 41.8751 179.4082 84 I 4.2265 8.0117 121.4336 63.8399 36.8751 178.3803 85 K 3.9938 7.7575 119.0385 59.5026 32.1410 178.0239 86 D 4.6111 8.3100 117.2497 54.0300 42.0502 175.4275 87 G 3.5795 7.5521 109.3883 45.5926 0.0000 172.7021 *89 V 4.0770 7.2339 120.8333 62.8699 33.5960 174.5941 90 V 3.9237 8.7573 128.2490 62.8663 32.2363 175.5287 91 K 4.5821 8.5318 128.4159 55.6253 33.9589 175.4291 92 A 4.0287 9.1037 133.4428 55.4073 19.1105 178.0576 *100 S 4.3451 7.6006 109.4828 57.5294 63.9953 174.9145 101 F 4.6673 8.7369 126.1181 59.2854 40.4913 174.6317 102 S 4.9693 8.0450 123.4792 56.7527 64.9008 170.9345 103 A 4.1850 8.9123 127.8157 49.5325 20.6813 176.2020 104 K 4.7581 8.1580 120.5438 54.1438 36.8248 175.9881 105 L 4.2965 8.4640 124.1011 54.4656 42.3635 177.8966 106 T 4.1001 8.3743 113.8742 61.6804 70.7009 175.0191 107 D 4.3310 8.5866 120.5439 57.6306 40.8479 179.0255 108 A 4.2016 8.0751 120.7607 54.7643 18.3493 179.7716 109 G 3.5837 8.1262 104.7477 47.9094 0.0000 175.7983 110 L 4.0763 8.0132 122.8534 58.0410 42.2330 179.0396 111 T 3.9192 7.9055 115.6423 67.1115 68.3747 176.6425 112 T 4.0809 8.1195 117.5181 66.5224 68.4617 176.4120 113 F 4.1582 8.5479 122.7239 61.2864 39.4210 177.3652 114 K 3.8114 8.0506 117.6282 59.5925 31.9124 179.3353 115 Q 3.9528 7.9540 117.6009 59.0149 28.5548 178.9050 116 A 3.9795 8.2973 122.1165 54.8306 18.4517 179.6648 117 S 3.9853 8.3038 112.3953 61.2852 62.4141 175.9583 118 E 3.8260 8.0637 121.8065 59.2548 29.3502 178.5964 119 A 3.9023 7.7517 120.6823 55.3354 18.3897 179.0210 120 H 3.7149 8.2148 116.9830 59.5537 29.9505 177.3517 121 N 4.3426 7.9489 117.7037 55.9349 38.2334 177.5616 122 R 3.8175 7.9956 120.3113 59.4239 30.1713 178.6577 123 I 3.5978 7.8630 119.8959 64.1364 37.0735 178.1106 124 L 3.7887 7.8536 120.8949 58.0637 41.7011 178.6071 125 A 3.9542 7.5146 119.0299 55.5011 18.3596 179.1098 126 E 4.0309 8.1794 115.7532 59.6462 29.5988 179.4343 127 L 4.1633 8.1365 118.3561 56.7252 41.8144 178.4448 128 L 4.6837 7.6651 118.1676 54.4095 42.2512 178.5928 129 R 3.9387 8.0956 117.0899 58.0709 29.7511 176.7835 130 A 4.5031 7.7274 119.3022 51.7812 20.0597 176.7272 131 V 3.8519 7.5411 117.1425 62.0074 32.1972 175.9663 132 S 4.4281 8.4065 121.6475 57.7817 64.0434 173.6919 133 D 4.5102 8.8989 123.2378 57.8626 41.0224 177.9749 134 Q 4.1018 8.3064 119.3038 59.4868 29.1784 178.7147 135 D 4.4567 7.9678 113.9556 55.3974 40.6608 178.4092 *137 V 4.0080 7.8995 121.0681 63.1020 33.3779 177.5096 138 E 3.9642 8.5935 119.3398 59.0994 29.2245 179.0123 139 A 3.9671 8.2593 121.1465 55.3160 18.4540 179.5879 140 S 4.0310 8.0791 110.7617 61.6083 62.5033 176.0722 141 A 3.9846 8.3358 123.4062 54.9510 18.0204 179.5754 142 A 3.9421 8.0911 119.4108 55.3584 18.4543 179.8983 143 L 3.9607 8.4099 118.0195 57.8923 41.6235 179.6454 144 R 4.0103 8.3471 118.9800 59.3021 30.0902 178.8174 145 G 3.5912 7.8834 105.0983 47.8070 0.0000 175.5130 146 I 3.7228 7.6325 121.3824 64.0842 37.2536 178.1240 147 L 4.1203 7.9789 118.3692 57.8345 41.4067 178.6168 148 E 4.1182 8.2912 119.5219 59.2475 29.7037 178.9118 149 S 4.2509 7.8048 114.9238 59.1944 63.3709 174.6824 *151 Q 4.4879 7.9734 124.4732 56.4970 28.6473 177.0546 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 7 K 8.30 4.30 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 S 8.31 4.37 0.00 4.12 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 9 D 8.82 4.37 0.00 2.71 2.79 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 10 R 7.91 3.85 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 11 Q 8.02 3.94 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 12 Q 8.22 4.01 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 13 N 8.72 4.32 0.00 2.90 2.90 0.00 0.00 7.07 8.16 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 14 Q 8.18 3.99 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 15 T 8.11 3.97 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 1.26 0.00 0.00 16 R 8.20 3.93 0.00 2.12 2.01 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 17 L 8.02 3.98 0.00 1.87 1.96 0.99 0.83 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 18 W 8.29 4.49 0.00 3.40 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 19 L 7.97 3.71 0.00 2.06 1.67 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.31 4.29 0.00 2.93 2.86 0.00 0.00 7.07 7.04 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 21 I 7.89 3.70 2.03 0.00 0.00 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 1.61 0.70 0.95 0.00 0.00 22 L 7.59 3.66 0.00 1.42 1.36 0.25 0.62 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 23 R 8.02 3.83 0.00 1.95 1.94 0.00 3.19 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 24 L 7.95 3.91 0.00 1.76 1.66 0.92 0.86 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 25 H 8.69 4.18 0.00 3.20 3.41 0.00 5.64 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 26 G 8.33 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 27 L 7.84 4.05 0.00 1.95 1.74 0.91 0.73 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 28 V 7.95 3.77 2.17 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 1.04 0.00 0.00 0.96 0.00 0.00 29 F 8.44 3.89 0.00 3.16 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 30 G 8.13 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 0.00 0.00 0.00 31 D 7.88 4.38 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.82 3.75 0.00 1.74 1.59 0.62 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.94 4.03 0.00 2.44 2.72 0.00 0.00 6.95 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.77 3.88 0.00 1.95 2.03 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 35 Q 8.37 3.96 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 36 L 8.13 3.83 0.00 1.77 1.54 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.83 4.09 0.00 1.99 1.68 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.73 4.30 0.00 2.64 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 39 E 8.24 4.17 0.00 1.91 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 2.30 2.59 0.00 40 T 7.69 4.48 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 1.26 0.00 0.00 41 G 8.70 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 42 L 7.17 4.68 0.00 1.93 1.68 0.99 1.05 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 43 S 8.37 4.44 0.00 3.92 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 44 L 9.42 3.96 0.00 1.50 1.36 0.84 0.50 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 45 A 8.19 4.13 1.45 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 46 K 8.01 3.93 0.00 2.08 1.97 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.55 7.81 47 F 8.50 4.32 0.00 3.06 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 48 D 8.87 4.53 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 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 *51 A 7.98 3.37 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 52 Q 7.49 3.91 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 53 L 7.57 3.99 0.00 1.49 1.57 0.86 1.08 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 54 A 7.29 3.77 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.04 0.00 1.86 2.03 0.00 3.18 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 56 N 7.66 4.92 0.00 2.74 2.62 0.00 0.00 6.62 8.19 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 57 P 0.00 4.47 0.00 2.11 2.11 0.00 3.45 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 1.95 2.05 0.00 58 D 7.83 4.35 0.00 2.63 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 59 G 8.10 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 60 L 7.92 4.88 0.00 1.59 1.46 0.86 0.75 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 61 S 7.58 5.39 0.00 4.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 G 9.05 3.87 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 0.00 0.00 0.00 64 K 7.87 4.05 0.00 1.76 1.86 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 65 L 8.15 4.05 0.00 1.78 1.76 0.89 0.97 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 66 S 8.18 4.20 0.00 3.94 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 67 G 8.47 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 0.00 0.00 0.00 68 A 7.44 4.53 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 69 L 7.11 4.07 0.00 1.85 1.81 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.86 4.24 0.00 2.00 1.95 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.46 7.81 71 V 8.19 4.29 2.33 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 1.04 0.00 0.00 1.22 0.00 0.00 72 T 8.56 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 73 N 9.57 3.79 0.00 2.87 2.44 0.00 0.00 7.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 10.34 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 0.00 0.00 0.00 75 N 8.66 3.97 0.00 2.90 2.75 0.00 0.00 6.80 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 76 V 8.24 3.65 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 0.90 0.00 0.00 0.96 0.00 0.00 77 S 8.15 4.31 0.00 4.06 4.18 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 78 G 8.07 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 0.00 0.00 0.00 79 L 8.34 3.96 0.00 1.95 1.93 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.29 3.64 2.25 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 1.19 0.00 0.00 1.03 0.00 0.00 81 N 8.99 4.25 0.00 2.84 2.84 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.87 3.96 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 83 L 7.69 4.03 0.00 1.87 1.77 0.95 0.71 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 84 I 8.01 4.23 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.90 0.00 0.00 85 K 7.76 3.99 0.00 1.78 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 86 D 8.31 4.61 0.00 2.92 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 87 G 7.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 V 7.23 4.08 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 1.13 0.00 0.00 0.96 0.00 0.00 90 V 8.76 3.92 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 0.80 0.00 0.00 0.99 0.00 0.00 91 K 8.53 4.58 0.00 1.76 1.65 0.00 1.78 0.00 0.00 1.18 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.47 7.81 92 A 9.10 4.03 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 *100 S 7.60 4.35 0.00 3.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.74 4.67 0.00 3.06 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 0.00 102 S 8.04 4.97 0.00 3.40 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 0.00 103 A 8.91 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.16 4.76 0.00 1.57 1.58 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.31 7.81 105 L 8.46 4.30 0.00 1.55 1.58 0.82 0.69 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 0.00 106 T 8.37 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 107 D 8.59 4.33 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.08 4.20 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 0.00 109 G 8.13 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.01 4.08 0.00 1.80 1.87 0.96 0.88 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 0.00 111 T 7.91 3.92 4.41 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 1.23 0.00 0.00 112 T 8.12 4.08 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 1.28 0.00 0.00 113 F 8.55 4.16 0.00 3.25 3.31 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 0.00 114 K 8.05 3.81 0.00 1.91 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.85 7.81 115 Q 7.95 3.95 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 116 A 8.30 3.98 1.45 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 0.00 117 S 8.30 3.99 0.00 3.27 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 0.00 118 E 8.06 3.83 0.00 2.21 1.99 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 2.27 2.30 0.00 119 A 7.75 3.90 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 0.00 120 H 8.21 3.71 0.00 2.33 3.04 0.00 5.59 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 0.00 121 N 7.95 4.34 0.00 2.77 2.84 0.00 0.00 6.72 7.97 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 0.00 122 R 8.00 3.82 0.00 1.84 1.99 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 123 I 7.86 3.60 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.43 0.80 0.00 0.00 124 L 7.85 3.79 0.00 1.66 1.58 0.86 0.99 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 0.00 125 A 7.51 3.95 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 0.00 0.00 0.00 0.00 0.00 126 E 8.18 4.03 0.00 2.02 1.99 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 2.32 2.48 0.00 127 L 8.14 4.16 0.00 1.71 1.69 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.67 4.68 0.00 1.72 1.63 0.91 0.85 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 0.00 129 R 8.10 3.94 0.00 1.90 2.27 0.00 2.99 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 130 A 7.73 4.50 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 0.00 131 V 7.54 3.85 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 0.81 0.00 0.00 0.92 0.00 0.00 132 S 8.41 4.43 0.00 4.02 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 0.00 133 D 8.90 4.51 0.00 2.69 2.80 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 0.00 134 Q 8.31 4.10 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 7.13 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 135 D 7.97 4.46 0.00 2.92 2.67 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 *137 V 7.90 4.01 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 1.09 0.00 0.00 0.96 0.00 0.00 138 E 8.59 3.96 0.00 2.11 1.98 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 2.33 2.43 0.00 139 A 8.26 3.97 1.37 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 0.00 140 S 8.08 4.03 0.00 3.92 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 0.00 141 A 8.34 3.98 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 0.00 142 A 8.09 3.94 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 0.00 143 L 8.41 3.96 0.00 1.69 1.77 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.35 4.01 0.00 1.89 2.03 0.00 3.11 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 1.64 1.67 0.00 145 G 7.88 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.63 3.72 2.07 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 1.54 0.76 0.93 0.00 0.00 147 L 7.98 4.12 0.00 1.75 1.75 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.29 4.12 0.00 2.12 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 0.00 2.32 2.35 0.00 149 S 7.80 4.25 0.00 4.10 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 *151 Q 7.97 4.49 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.