NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8978 8.4545 109.7400 45.3977 0.0000 172.0984 4 K 4.5547 8.3554 122.6693 52.3004 36.0861 171.9352 5 I 4.0389 8.2826 114.0640 64.1322 36.4370 172.3126 6 S 4.8975 7.8221 111.4342 56.9750 65.4314 173.5413 7 A 4.7440 8.4040 123.6014 52.3525 20.3686 176.7890 8 L 4.4286 8.1440 121.5598 55.4894 40.3218 180.4055 9 D 4.3760 8.9818 124.8330 54.4506 42.3295 177.2497 *14 E 4.3125 8.3746 123.6200 54.7372 32.4991 173.4930 15 L 4.0260 7.8696 122.9773 55.3091 41.9586 180.9701 16 S 4.5263 8.3752 122.2894 60.1192 64.3438 176.1454 17 E 4.1267 8.6389 121.8785 61.5243 29.3577 178.6511 18 P 4.4599 0.0000 0.0000 66.5689 31.4374 179.1077 19 T 4.1347 7.8178 113.8720 65.2113 68.5823 179.4695 20 K 4.0640 8.0200 124.4530 60.1344 31.5850 184.2939 21 A 4.2061 8.2276 122.5084 55.2989 18.2877 178.8572 22 Y 4.0873 7.8003 118.0822 61.3174 38.6333 178.6856 23 F 4.4267 8.5370 118.2844 60.2357 38.9458 177.6248 24 A 4.0858 8.4703 123.0669 55.8429 18.3488 180.2545 25 K 3.8525 8.9653 123.3288 60.5972 31.6626 180.1462 26 C 4.0157 8.6466 117.8518 63.8600 27.9021 176.6755 27 E 3.3464 8.2269 117.1771 58.1803 29.9092 178.8012 28 E 4.0860 8.2844 123.2929 60.1772 30.0007 180.4074 29 K 4.1493 7.5495 121.7365 58.1749 32.4692 179.1289 30 L 4.9993 8.6806 120.2513 54.0765 39.7633 178.5242 31 G 4.1173 8.6208 114.1900 46.1412 0.0000 171.0372 32 L 4.3564 7.3061 117.6091 55.7895 42.5911 173.7773 33 V 4.0262 7.8651 118.7241 60.0081 32.7157 173.4927 34 P 4.4866 0.0000 0.0000 62.9817 31.7517 177.2565 35 N 4.4435 9.9520 121.4017 55.9317 38.2817 178.0798 36 V 3.4442 7.9600 120.6945 64.7655 31.3487 178.2665 37 L 3.8936 7.4975 118.2744 57.3119 41.6036 179.3384 38 K 4.2916 7.9111 117.7696 59.3157 31.7955 179.0541 39 A 3.9475 7.8703 120.5509 55.2001 18.1018 178.4734 40 Y 4.2885 8.1480 113.0141 58.4362 37.8461 177.2240 41 A 4.3037 7.8188 125.1625 54.8179 18.6516 179.6753 *42 F 4.1293 8.0578 114.8087 58.7738 38.6016 180.9245 43 D 4.8273 8.0631 119.5986 52.9536 44.5820 176.2048 44 D 4.5067 8.9175 131.5145 59.0719 39.8557 176.2740 45 K 4.2184 8.3835 127.0392 60.1378 31.5416 182.5307 46 K 4.2571 7.9805 124.2251 59.6383 31.8343 181.2216 47 L 4.1336 8.6147 124.8213 58.4824 41.9495 179.7849 48 R 3.8265 8.5416 120.7453 61.3630 29.2884 180.1081 49 A 4.2724 8.1983 121.9567 55.0701 18.3619 179.0925 50 F 3.8245 7.7460 118.9939 62.1585 39.2125 177.7450 51 T 4.0883 8.2129 114.8631 66.5594 68.1335 176.5059 52 D 4.3911 8.6161 123.6994 58.0492 40.9304 179.4220 53 I 3.5445 7.8650 120.6827 65.1759 35.2240 179.3371 54 Y 3.4906 7.6683 120.5515 60.4097 38.7657 177.7427 55 N 4.5618 8.4507 117.4262 56.2905 38.4568 176.6907 56 D 4.3385 7.9113 118.3274 57.3870 41.3423 177.6470 57 L 4.0218 7.1383 116.4816 55.9967 41.8753 177.0888 *59 L 4.2964 7.8511 117.7227 54.6302 43.5826 177.5728 60 G 3.7842 7.5104 106.7422 44.4337 0.0000 172.9135 61 E 3.9161 8.4340 120.4960 56.8403 29.9693 176.1823 62 S 4.5428 7.9219 116.3882 57.7836 64.8914 176.1016 63 G 3.9968 8.7213 112.0614 46.1830 0.0000 174.0639 64 L 4.4148 8.0112 120.7257 54.0664 42.6535 177.0288 65 S 4.6964 8.5220 118.2123 57.9340 65.8498 176.2077 66 K 4.0167 8.3700 126.2729 59.7706 31.2101 178.3264 67 L 4.2191 7.8640 119.7592 58.0093 42.0592 178.4324 68 D 4.4777 7.6522 118.0624 57.4088 40.9853 178.5650 69 R 4.0991 7.7831 118.5642 58.9734 29.9193 179.4824 70 E 4.1132 7.8789 115.9758 56.7814 29.2912 179.0506 *72 I 3.8435 7.7476 120.8434 61.5038 39.3267 177.5080 73 A 2.7769 7.7635 122.1118 55.2460 17.7362 179.9634 74 V 3.4066 7.7757 115.7961 65.8124 31.6383 178.0627 75 A 3.9770 7.7897 120.0824 55.2444 18.2619 179.6270 76 V 3.5421 7.7507 116.6283 66.3587 31.6241 178.5115 77 S 4.7404 8.1061 116.1938 60.9093 62.4513 176.6725 78 S 4.0539 8.3970 116.4205 61.3318 61.9429 176.1030 79 I 3.6948 7.3115 120.8548 64.4668 37.0445 177.5006 80 N 4.5712 7.9755 113.5018 52.7655 39.7948 174.5375 81 H 3.9547 7.3849 117.2307 56.9071 26.8318 175.3121 82 C 4.6364 8.0327 119.6476 57.8670 32.6948 173.2306 83 Y 4.3466 8.8415 129.1047 60.9385 38.3440 177.0707 84 Y 3.5221 8.0221 119.8579 61.0336 39.0439 177.8089 85 C 4.4818 8.2739 117.1039 62.7582 28.3704 175.8772 86 L 4.0536 8.0980 120.7043 58.1283 40.6748 179.7783 87 T 3.7939 7.6608 115.0227 66.2170 68.1154 176.8756 88 A 2.5800 7.6888 122.6869 54.7597 18.6388 179.1932 89 H 4.3355 8.5251 114.7513 57.9884 28.9933 178.2148 90 G 3.5684 7.8398 107.4683 47.6633 0.0000 175.5704 91 A 4.0238 7.5911 122.1919 54.8064 18.3228 179.6971 92 A 3.9304 7.5626 119.1949 55.2540 18.5444 179.9849 93 V 3.5437 7.8179 116.7910 66.1105 31.6061 178.3524 94 R 4.0938 7.8165 117.2450 60.0434 29.7380 178.3662 95 Q 3.9931 7.9154 116.1684 58.9600 28.6810 178.6011 96 L 4.1497 8.6282 121.6871 58.3883 42.1600 180.0375 97 S 4.2995 7.9512 112.3917 59.2805 63.0228 175.3421 98 G 3.7747 7.7618 108.9779 45.5905 0.0000 172.5960 99 D 4.7873 7.9421 120.0285 51.5082 42.0663 174.8766 100 P 4.2640 0.0000 0.0000 65.7610 31.2281 178.5208 101 A 4.0133 8.0878 117.4176 54.8983 18.2582 178.9782 102 L 4.1778 7.6704 118.1542 58.1564 42.2680 178.7714 103 G 3.9125 8.1017 104.2880 47.8009 0.0000 174.2605 104 E 4.2478 7.6627 118.2633 56.9126 28.9550 178.5755 *106 L 4.3538 7.8425 120.8316 54.8734 43.4483 177.9818 107 V 3.6438 7.5486 115.7707 63.7283 31.6901 175.0349 *109 N 4.4327 7.9320 117.4441 53.6414 38.5555 174.2931 110 F 4.2808 8.9592 121.9715 60.1286 37.8434 177.4405 111 R 3.9891 7.1889 118.3898 57.8125 29.8268 176.8730 112 A 4.3150 7.7053 119.4146 52.4345 19.2341 177.4144 113 A 4.3963 9.4428 118.6238 51.1375 19.1155 177.2575 114 D 4.3377 7.9713 115.3577 55.8871 38.3444 172.9890 115 L 4.4617 7.5822 117.7825 53.7987 43.6646 176.7871 116 S 4.6179 8.8003 115.2509 56.9352 64.5509 173.4236 117 P 4.3719 0.0000 0.0000 65.0752 30.6249 179.0576 118 R 3.9546 7.8101 116.8696 59.5311 30.3064 178.0383 119 Q 4.2168 8.0514 116.4603 58.9991 28.9223 178.7962 120 T 4.1682 8.0295 116.7489 66.5086 68.4486 176.9902 121 A 3.8831 7.9389 119.9818 53.5458 18.7739 178.9145 *123 L 4.0175 7.8800 121.9075 55.9593 43.8982 179.2173 124 E 4.1156 8.2245 118.1982 59.3050 29.1925 179.1806 125 F 3.9858 8.1265 120.7221 61.1929 39.5620 177.1540 126 A 3.9988 8.0536 119.9617 54.8726 18.1715 179.7436 127 V 3.5155 7.7018 117.0792 66.1083 31.6840 178.2815 128 K 3.9479 7.8756 119.3936 59.3188 31.7779 178.5831 129 L 3.9156 7.6117 119.9540 57.9440 41.9526 178.9286 130 T 4.0579 7.3862 114.9822 66.6194 68.6788 176.4885 131 E 4.2793 8.5331 119.4699 57.9210 31.2517 177.4287 132 E 4.7183 8.4360 116.6930 53.7123 29.8617 173.8514 133 P 4.1278 0.0000 0.0000 66.3801 31.8943 179.4016 134 A 4.0754 7.9703 120.4500 54.2451 18.3805 177.8386 135 K 4.4118 7.6670 113.3030 56.0646 32.5392 176.8282 136 I 3.9270 7.1308 120.0944 61.5210 37.4542 175.7203 137 V 4.5716 8.3914 117.0539 59.0195 35.5934 175.7572 138 E 4.1110 8.7449 119.0505 59.5037 29.3616 178.3749 139 A 3.9175 8.1665 120.6069 55.3132 18.1520 179.2480 140 D 4.4095 7.8549 115.7485 57.6579 41.0177 179.1669 141 R 3.8993 8.1372 117.7263 59.2561 30.2190 178.4650 142 A 4.0138 8.7608 120.9118 55.5471 18.1013 179.5233 143 A 4.0204 8.1815 118.8127 55.4065 18.3530 179.9064 144 L 4.1198 7.8309 117.6348 57.9322 41.7310 179.9084 145 R 4.2681 8.0145 119.4772 58.7802 29.7905 179.2625 146 K 4.0222 8.0907 117.0238 59.2314 32.1100 178.8228 147 A 4.2014 7.5571 119.6740 52.7051 18.4264 177.8056 148 G 4.0135 7.5735 106.6700 45.8308 0.0000 173.5219 149 F 5.0578 8.0129 118.1091 55.1412 41.2142 176.3905 150 S 4.5668 8.7553 120.4467 57.8963 65.4284 175.2080 151 D 4.4136 8.5022 121.0455 57.2339 40.6170 178.9697 152 R 3.9425 7.9485 119.1210 59.3882 30.0001 178.1229 153 D 4.4309 8.2123 118.9257 57.2180 40.7039 178.8071 154 I 3.4104 7.9128 120.5192 63.8349 36.9915 178.0334 155 W 4.0952 8.0979 128.9180 60.6501 30.4630 177.7545 156 D 4.3939 8.2124 118.1844 57.5289 40.3155 178.7090 157 I 3.5546 7.7781 120.1418 64.2925 37.0557 178.4186 158 A 4.0454 8.1106 121.6918 55.3339 18.2599 179.9222 159 S 3.8636 7.9968 113.9655 61.8182 62.9541 176.9073 160 T 3.8504 7.9870 118.1917 66.7903 68.0551 176.4550 161 A 4.1012 7.8431 120.9780 55.0525 18.8355 179.1350 162 A 4.0540 8.5783 119.5915 55.2869 18.2574 179.3361 163 F 3.9460 8.4348 118.0206 61.7374 39.7155 177.1266 164 F 4.0746 8.1671 115.4103 59.0345 37.1670 176.2693 165 N 4.7586 7.8002 116.3035 53.8591 38.9355 177.1934 *167 S 4.4008 8.0492 118.0937 58.7039 65.2198 175.9342 168 N 4.3598 8.2446 117.5438 56.5836 38.2086 177.7031 169 R 3.9289 7.4573 117.9467 59.1946 30.2781 178.6823 170 V 3.4801 7.8572 117.2216 66.3022 31.3880 177.4209 171 A 3.9346 8.2579 119.8160 55.2769 17.9877 179.5499 172 A 3.9263 8.0375 117.6742 55.2158 18.6067 179.1084 173 A 4.1088 8.1475 118.6347 55.3395 18.8134 179.3246 174 I 3.9588 7.8064 109.7189 59.4991 38.3363 171.0908 175 D 4.6254 7.5424 129.4114 53.4542 42.9652 172.5430 *177 R 4.3190 8.4391 124.0094 55.2977 31.0227 173.7730 178 P 3.9862 0.0000 0.0000 61.7611 32.2962 175.9210 179 N 4.2493 8.5177 117.3751 53.3049 38.8828 175.8305 180 D 4.3302 8.9226 125.2671 57.8622 41.8218 178.5766 181 E 3.9377 8.1055 114.7846 59.0061 29.8805 181.4324 182 Y 4.4090 7.4878 115.6083 61.6585 38.0181 177.7451 183 H 4.2624 7.8039 115.5968 58.4723 29.4456 176.2465 184 A 4.2445 7.4969 123.5924 50.8356 17.6923 177.6659 *186 A 4.1684 7.3452 124.1106 51.7772 20.3508 177.4819 187 R 4.2487 7.7718 124.3912 56.3013 30.4829 177.0613 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 3 G 8.45 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 4 K 8.36 4.55 0.00 1.81 1.56 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.07 7.81 5 I 8.28 4.04 1.87 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 1.47 1.10 0.91 0.00 0.00 6 S 7.82 4.90 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 7 A 8.40 4.74 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 8 L 8.14 4.43 0.00 1.56 0.92 0.88 0.91 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 9 D 8.98 4.38 0.00 2.67 2.41 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 *14 E 8.37 4.31 0.00 2.01 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 2.13 1.88 0.00 15 L 7.87 4.03 0.00 1.65 1.52 0.92 0.76 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 16 S 8.38 4.53 0.00 3.73 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 17 E 8.64 4.13 0.00 1.96 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 1.99 0.00 18 P 0.00 4.46 0.00 2.09 2.13 0.00 3.51 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 19 T 7.82 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 20 K 8.02 4.06 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 21 A 8.23 4.21 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 22 Y 7.80 4.09 0.00 3.16 3.24 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 0.00 23 F 8.54 4.43 0.00 3.32 3.05 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 24 A 8.47 4.09 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 25 K 8.97 3.85 0.00 1.65 1.85 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.37 7.81 26 C 8.65 4.02 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.23 3.35 0.00 2.23 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 2.29 2.43 0.00 28 E 8.28 4.09 0.00 2.13 2.01 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 2.35 2.34 0.00 29 K 7.55 4.15 0.00 1.88 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.34 7.81 30 L 8.68 5.00 0.00 1.68 0.69 0.92 0.89 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 31 G 8.62 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 32 L 7.31 4.36 0.00 1.53 1.46 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.87 4.03 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 -0.07 0.00 0.00 0.85 0.00 0.00 34 P 0.00 4.49 0.00 2.27 2.17 0.00 3.54 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 35 N 9.95 4.44 0.00 3.11 3.05 0.00 0.00 6.40 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 36 V 7.96 3.44 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 1.03 0.00 0.00 0.75 0.00 0.00 37 L 7.50 3.89 0.00 1.66 1.95 1.17 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 4.29 0.00 1.98 1.88 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.37 7.81 39 A 7.87 3.95 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 40 Y 8.15 4.29 0.00 2.81 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 41 A 7.82 4.30 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 *42 F 8.06 4.13 0.00 2.31 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 43 D 8.06 4.83 0.00 2.69 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 44 D 8.92 4.51 0.00 2.72 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 45 K 8.38 4.22 0.00 1.80 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 46 K 7.98 4.26 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 47 L 8.61 4.13 0.00 1.95 1.62 1.09 1.05 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 48 R 8.54 3.83 0.00 1.82 1.92 0.00 3.34 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 49 A 8.20 4.27 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 50 F 7.75 3.82 0.00 2.44 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 51 T 8.21 4.09 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 1.32 0.00 0.00 52 D 8.62 4.39 0.00 2.81 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 53 I 7.86 3.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.92 0.00 0.00 73 A 7.76 2.78 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.78 3.41 2.01 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 1.11 0.00 0.00 0.88 0.00 0.00 75 A 7.79 3.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.75 3.54 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 1.12 0.00 0.00 0.99 0.00 0.00 77 S 8.11 4.74 0.00 4.01 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 78 S 8.40 4.05 0.00 4.00 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 79 I 7.31 3.69 2.02 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 1.56 0.91 0.92 0.00 0.00 80 N 7.98 4.57 0.00 2.90 2.89 0.00 0.00 7.20 8.18 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 81 H 7.38 3.95 0.00 3.28 3.35 0.00 5.63 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.03 4.64 0.00 3.05 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 83 Y 8.84 4.35 0.00 3.10 3.05 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 84 Y 8.02 3.52 0.00 3.10 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 85 C 8.27 4.48 0.00 3.16 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 86 L 8.10 4.05 0.00 1.83 1.76 1.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.66 3.79 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 0.97 0.00 0.00 88 A 7.69 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.53 4.34 0.00 3.16 3.34 0.00 5.63 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 90 G 7.84 3.57 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 0.00 91 A 7.59 4.02 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 92 A 7.56 3.93 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 93 V 7.82 3.54 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 1.02 0.00 0.00 0.96 0.00 0.00 94 R 7.82 4.09 0.00 2.07 2.14 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 95 Q 7.92 3.99 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 96 L 8.63 4.15 0.00 1.56 1.76 0.95 0.94 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 97 S 7.95 4.30 0.00 4.06 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2.31 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 134 A 7.97 4.08 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 0.00 135 K 7.67 4.41 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 136 I 7.13 3.93 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.93 0.00 0.00 137 V 8.39 4.57 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 1.03 0.00 0.00 138 E 8.74 4.11 0.00 2.11 1.96 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 2.40 2.46 0.00 139 A 8.17 3.92 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 0.00 140 D 7.85 4.41 0.00 3.10 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 0.00 141 R 8.14 3.90 0.00 2.04 2.00 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 142 A 8.76 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.18 4.02 1.49 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 0.00 0.00 0.00 144 L 7.83 4.12 0.00 1.76 1.72 -0.14 0.74 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 0.00 145 R 8.01 4.27 0.00 2.09 2.00 0.00 3.16 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 146 K 8.09 4.02 0.00 1.92 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 147 A 7.56 4.20 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 0.00 148 G 7.57 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 0.00 0.00 0.00 149 F 8.01 5.06 0.00 3.22 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 0.00 150 S 8.76 4.57 0.00 4.11 4.04 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 0.00 151 D 8.50 4.41 0.00 2.79 2.78 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 0.00 152 R 7.95 3.94 0.00 1.86 1.91 0.00 3.10 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 153 D 8.21 4.43 0.00 3.14 2.78 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 0.00 154 I 7.91 3.41 1.83 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 1.16 0.87 0.64 0.00 0.00 155 W 8.10 4.10 0.00 3.52 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 0.00 156 D 8.21 4.39 0.00 2.97 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 0.00 157 I 7.78 3.55 1.65 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.35 0.73 0.00 0.00 158 A 8.11 4.05 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 0.00 159 S 8.00 3.86 0.00 3.66 3.72 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 0.00 160 T 7.99 3.85 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 1.32 0.00 0.00 161 A 7.84 4.10 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 0.00 162 A 8.58 4.05 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 0.00 163 F 8.43 3.95 0.00 2.82 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 0.00 164 F 8.17 4.07 0.00 3.20 3.09 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 0.00 0.00 0.00 165 N 7.80 4.76 0.00 2.93 2.80 0.00 0.00 6.81 6.88 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 *167 S 8.05 4.40 0.00 3.70 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 0.00 168 N 8.24 4.36 0.00 2.84 2.93 0.00 0.00 7.08 7.22 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 0.00 169 R 7.46 3.93 0.00 1.84 1.95 0.00 3.28 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 170 V 7.86 3.48 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 0.96 0.00 0.00 0.95 0.00 0.00 171 A 8.26 3.93 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 0.00 172 A 8.04 3.93 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 0.00 173 A 8.15 4.11 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 0.00 174 I 7.81 3.96 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.84 0.00 0.00 175 D 7.54 4.63 0.00 3.00 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 *177 R 8.44 4.32 0.00 2.22 2.04 0.00 3.65 0.00 0.00 3.64 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 178 P 0.00 3.99 0.00 1.75 1.00 0.00 3.69 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.00 179 N 8.52 4.25 0.00 1.84 2.40 0.00 0.00 6.50 8.08 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 0.00 180 D 8.92 4.33 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.94 0.00 1.93 1.96 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 2.32 1.92 0.00 182 Y 7.49 4.41 0.00 2.88 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 0.00 183 H 7.80 4.26 0.00 3.16 3.39 0.00 5.64 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 0.00 184 A 7.50 4.24 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 *186 A 7.35 4.17 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 0.00 187 R 7.77 4.25 0.00 1.80 1.83 0.00 3.43 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.