NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3913 8.3344 116.7915 57.6482 64.3512 172.4606 3 L 4.0116 8.3095 123.0707 55.1403 42.4197 174.4173 4 L 4.7849 9.7789 128.7652 53.2435 45.6761 174.3655 5 I 5.0716 8.3876 126.5898 59.5764 39.1943 174.9375 6 R 4.8813 8.7955 122.5191 54.3799 33.4478 173.9518 7 E 4.1893 8.8685 121.1533 55.9112 30.2231 176.2250 8 L 4.2793 8.5609 129.4406 55.3975 42.8734 176.0119 9 E 4.8361 9.3070 124.2393 54.4228 33.1896 177.1415 10 T 3.8889 8.6614 117.9209 67.1721 68.5521 176.2790 11 N 4.5534 8.0956 115.9750 55.3215 39.0113 176.0469 12 D 4.5938 8.3020 118.4873 55.8927 40.8558 178.2130 13 L 4.1777 7.8129 119.4096 57.8080 41.7113 178.4228 14 D 4.7481 8.0821 116.0104 55.1271 41.3405 176.6598 15 N 4.6969 7.6346 115.5325 52.8297 38.6438 174.5173 16 F 4.0968 8.0377 121.9885 56.3271 39.3386 173.6877 17 P 4.7010 0.0000 0.0000 61.5931 32.4242 175.5521 18 E 4.2356 8.6790 118.6881 56.3699 29.6790 176.6331 19 I 4.4693 8.3952 124.6047 59.3646 39.6871 174.7908 20 D 4.6732 9.2756 125.9636 53.7812 41.2997 175.3792 21 D 5.1365 8.6633 125.4021 53.1654 40.8168 176.4592 22 S 4.8308 8.5493 114.3977 58.9428 64.2600 172.9395 23 F 4.9737 8.6553 115.5526 55.9918 41.9179 172.7091 24 I 4.5716 8.2776 119.9717 59.8354 38.5486 175.6966 25 V 4.0617 8.4834 128.5835 62.0772 32.3162 175.5940 26 N 5.1074 8.5689 122.9255 52.2372 39.3173 173.0478 27 A 5.1173 7.6645 119.6835 51.9029 22.3698 175.1637 28 R 4.8191 8.8885 114.5800 55.1394 33.2392 176.1867 29 L 4.7608 8.2701 120.8312 53.7347 43.9655 176.2136 *31 L 4.5234 8.3606 118.8035 55.7698 42.8613 176.4359 32 S 4.8309 9.0057 115.1922 56.8624 67.2621 172.3416 33 L 5.3072 8.4805 122.2632 53.3126 43.9561 176.2704 34 S 4.6046 9.0255 121.7738 58.0039 64.0381 174.5500 35 K 4.1378 8.6645 118.5721 56.9755 32.6299 177.1714 36 V 3.9323 7.2980 120.9093 62.0427 31.1890 174.8485 37 N 4.3799 9.1934 125.8664 54.7326 37.2642 173.5267 38 R 3.7517 8.1732 110.5392 56.3869 28.1287 176.3128 39 R 4.1486 7.7173 117.5998 56.3319 31.2585 175.0267 40 I 4.7553 8.4102 127.5780 60.5947 38.3718 174.9157 41 E 4.9735 9.2983 126.4106 54.9285 33.4208 174.0756 42 Y 5.3056 7.7674 117.4321 56.4344 40.5492 173.8586 43 T 4.8409 8.6468 109.0785 60.0370 72.8670 172.3779 44 V 4.7726 8.4959 122.1628 61.3491 33.5171 174.3618 45 E 4.7736 9.0569 128.4156 54.2018 32.3764 174.8902 46 D 5.0534 8.8461 126.3703 54.7620 41.7279 175.9444 47 V 4.6440 8.1955 113.5133 58.7067 36.0327 173.8927 48 P 4.2787 0.0000 0.0000 63.4067 31.6790 176.7428 49 S 5.2733 8.7846 118.8050 58.5926 63.9006 172.7832 50 Y 4.8558 7.9173 118.6328 56.4451 41.0607 172.6965 51 E 5.1051 8.7713 119.6255 54.7084 31.9040 175.5388 52 K 4.5985 8.3146 121.0464 55.7126 36.5808 174.9037 53 S 4.9161 8.3080 116.9500 57.2909 64.1224 174.0186 54 Y 4.4835 8.6510 124.2260 60.3937 38.7255 176.1618 55 L 4.3904 7.6971 116.6975 52.7683 44.1666 175.3869 *61 E 4.0159 8.2227 118.0462 56.2673 30.3497 175.6160 62 L 4.3093 8.3163 123.9419 53.8578 42.6711 176.1210 63 V 4.0633 8.1618 126.4033 60.9524 32.7549 175.1768 64 Y 4.3385 8.1007 126.4075 61.2833 37.9851 178.7034 65 N 4.3367 8.2976 117.4869 56.4363 39.1285 176.0403 66 E 4.1046 8.2382 116.3744 58.3013 29.6164 176.9064 67 Y 4.4507 8.3745 116.0734 57.5124 38.6497 174.8396 68 I 4.1863 7.4720 121.7634 60.9260 38.8393 175.3175 69 N 4.1912 8.8160 122.6186 54.8373 36.6571 173.8696 70 K 4.7459 7.5297 115.7830 54.0344 36.3464 175.6161 71 P 4.4752 0.0000 0.0000 65.2855 31.7088 177.0788 72 N 5.4115 8.2760 113.2524 52.7416 40.0293 174.1653 73 Q 5.2615 8.1341 115.4669 55.5068 31.7946 173.2758 74 I 4.5346 8.2288 118.5056 61.2761 42.2968 172.7684 75 I 4.8400 7.8499 125.8757 59.6024 40.5784 173.9520 76 Y 5.1902 8.8018 124.2241 56.1337 40.7402 174.7825 77 I 4.9837 8.8736 116.7768 59.1434 41.0380 174.0706 78 A 5.0398 8.9097 126.4358 50.4664 20.9964 175.6492 79 L 5.0599 9.1151 123.3019 52.8440 44.8008 175.6232 80 L 4.6846 8.5449 125.1678 54.0095 45.5758 175.8543 81 H 4.1501 9.5602 121.6210 57.0115 27.2729 174.1435 82 N 4.2847 8.1210 108.8417 54.7874 36.6299 174.6689 83 Q 4.4579 7.6940 116.0392 53.9454 32.7303 174.5794 84 I 4.1483 8.1659 122.9402 61.2909 37.5324 175.7586 85 I 4.3582 8.2389 118.6450 60.0707 39.0549 175.0304 86 G 4.2872 7.6850 109.2900 46.5800 0.0000 172.0039 87 F 5.4135 7.8658 114.1314 55.9946 41.8447 172.8344 88 I 4.9959 8.9875 119.6145 59.3280 41.5732 173.7749 89 V 4.5356 9.1142 129.2918 61.1223 33.6412 174.2906 90 L 5.5760 8.8229 127.5530 52.9489 45.8363 175.6206 91 K 5.3863 9.1832 120.1728 55.4707 36.9574 174.5488 92 K 5.0165 8.9069 122.5501 55.3616 33.2212 176.0098 93 N 4.8288 9.3527 126.8590 51.7404 40.2069 175.5998 94 W 4.3557 8.7231 118.1543 59.1178 28.0750 176.4732 95 N 4.3244 6.9277 114.3795 52.2972 36.6357 175.7120 96 N 4.6170 8.1858 115.8650 53.9666 37.9474 174.3260 97 Y 4.5523 7.9860 115.8421 57.3327 39.7304 175.0066 98 A 4.9265 8.9681 124.2288 52.3612 20.2122 175.9245 99 Y 4.9338 9.5324 122.6312 55.8340 41.9571 174.5467 100 I 4.5391 8.0604 127.8163 60.6393 37.0388 175.5609 101 E 4.5135 9.3400 128.8358 59.3604 30.3748 177.4988 102 D 4.5297 7.6778 115.4226 53.2946 44.8079 174.3154 103 I 4.8316 8.1185 125.2961 59.4833 40.8361 174.4224 104 T 4.3536 8.1635 125.0057 61.6664 72.8352 172.8377 105 V 4.5418 7.9416 125.2605 60.4889 34.0497 174.5106 106 D 4.4872 9.2162 127.5306 54.9763 41.7809 176.9450 107 K 3.7886 8.8164 127.2101 59.5754 32.2064 178.7715 108 K 3.9254 7.9622 115.2952 59.0608 32.5340 176.8272 109 Y 4.6110 7.7794 115.8442 57.6167 38.2345 176.0962 110 R 3.9927 7.4814 119.3780 57.4286 30.6095 176.7606 111 T 3.3937 8.4640 108.5102 62.4120 66.8891 172.0576 112 L 4.5165 7.9756 119.0603 54.8723 42.0804 177.4366 113 G 3.9696 8.2117 107.0542 45.8545 0.0000 176.1441 114 V 3.6119 7.7501 119.7413 65.8078 31.5645 177.8706 115 G 3.4823 7.9323 105.0034 47.7701 0.0000 175.2715 116 K 4.0568 8.2459 121.7697 59.3745 32.2291 178.9215 117 R 3.9196 7.9133 118.0864 59.0642 29.9470 179.0384 118 L 3.9647 7.9558 118.9351 57.7839 41.5402 179.5664 119 I 3.8229 8.0787 119.5931 64.3189 37.1122 178.2346 120 A 3.9593 8.2128 121.7505 55.3547 18.2157 179.5273 121 Q 3.7315 8.0338 117.7235 59.0649 28.9499 178.2251 122 A 4.1950 8.0576 121.9638 55.0780 18.3491 179.7797 123 K 4.1198 8.4494 117.3040 59.6626 32.0114 179.5542 124 Q 3.9009 8.0098 118.2496 58.6645 28.7850 178.6758 125 W 4.2397 8.4693 129.0761 60.4367 30.5733 177.7208 126 A 3.8853 8.3681 119.5539 55.3002 18.1780 179.4690 127 K 4.0004 8.1829 117.0009 59.6431 31.8526 179.4661 128 E 4.0418 8.3370 118.2948 58.6703 29.3500 178.6133 129 G 3.8592 7.2286 102.8940 42.7914 0.0000 170.9150 130 N 3.9177 7.7591 123.8087 52.3312 36.1207 172.5263 *132 P 4.2059 0.0000 0.0000 61.1428 33.3637 176.3341 133 G 2.4247 5.7401 104.3695 45.9487 0.0000 171.6268 134 I 6.0623 7.5777 119.7360 58.2725 42.2663 174.6324 *136 L 3.5085 8.1202 122.6085 55.6065 42.1829 174.6273 137 E 4.9712 8.3025 118.6997 54.7926 32.0466 174.6140 138 T 4.8691 8.7763 120.0044 61.0392 72.1239 171.9196 139 Q 5.2221 8.5302 121.8353 53.9965 31.0916 177.0857 140 N 4.4866 9.1053 119.3015 54.9860 37.5396 176.0532 141 N 4.8110 8.0806 115.1269 53.3122 38.5023 175.8466 142 N 4.7765 7.8713 119.8446 52.4812 35.9378 174.8617 143 V 3.5334 7.5282 123.5341 65.4003 32.2177 176.7089 144 A 3.8351 7.8315 119.9491 55.1040 18.1963 179.3078 145 A 3.4413 7.6811 118.8939 55.1896 18.3746 179.5475 146 C 3.5696 7.9127 115.1565 62.9123 28.2377 176.6061 147 K 3.9595 8.1985 120.2868 59.1982 31.6134 179.1875 148 F 3.9845 7.9273 120.8783 61.5496 39.2943 176.8157 149 Y 3.6210 7.3321 116.5710 60.7533 37.5109 178.2205 150 E 4.2812 7.8759 120.2372 59.3965 29.5497 179.1204 151 K 4.0683 7.9151 117.4726 59.1697 32.1612 178.2263 152 C 4.3801 7.4725 114.5285 59.8697 28.3518 174.4181 153 G 4.0171 7.8471 109.1045 44.8133 0.0000 173.9899 154 F 4.8224 8.2464 118.0734 57.4927 39.8553 175.3647 155 V 4.9487 9.2201 114.2077 59.5852 35.9003 174.9787 156 I 3.8690 8.3199 124.2930 61.2956 36.9477 176.0478 157 G 3.9056 9.1396 114.3866 46.5387 0.0000 172.8367 158 G 4.2258 7.9499 106.2702 46.2837 0.0000 171.8458 159 F 5.6487 8.0973 113.7089 56.2635 41.0158 173.3926 160 D 4.6485 9.1517 119.1884 53.4676 43.9358 175.7725 161 F 4.8889 9.1365 124.3327 58.6081 39.8508 176.1426 162 L 4.8360 8.6147 119.7990 54.4885 43.7899 178.8559 163 V 3.6493 8.3499 119.1797 65.2592 31.0810 177.7451 164 Y 4.2401 8.0539 116.1161 59.9963 37.5843 177.9427 165 K 4.5155 7.5021 120.6147 58.6642 32.1292 179.0378 166 G 3.7450 7.7591 105.5047 47.1290 0.0000 174.9722 167 L 4.2853 7.8229 119.8219 56.7559 42.1852 175.9587 168 N 5.0115 7.9607 113.6719 51.8477 42.7682 175.0009 *170 T 4.2125 8.4205 107.3483 62.0178 70.3400 174.7128 171 S 4.6025 7.7833 116.1187 57.6409 64.1761 172.9534 172 D 5.0873 8.0765 119.0170 53.9152 41.4472 176.8032 173 E 4.0977 8.2944 118.0769 56.3954 30.5173 176.8750 174 V 4.8550 8.8275 122.3797 61.0305 34.6872 174.2836 175 A 4.9745 9.0952 129.8204 51.6968 20.1795 176.1015 176 I 4.7234 8.6719 122.7823 59.5758 40.7864 174.0826 177 Y 5.0353 8.8383 124.8745 56.1947 39.7797 174.7374 178 W 5.3894 8.7266 124.4928 55.1791 31.8257 175.1489 179 Y 5.1478 9.6322 120.4599 56.2819 42.1371 174.2619 180 L 4.6504 9.2092 125.0236 53.5521 44.7139 174.3963 181 H 4.5814 8.7409 126.5209 54.6596 31.4078 174.9231 182 F 4.5967 7.7055 122.8965 57.8514 38.8122 175.6037 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.39 0.00 3.86 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 3 L 8.31 4.01 0.00 1.65 1.54 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.78 4.78 0.00 1.71 1.41 0.91 0.96 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 5 I 8.39 5.07 1.81 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 1.35 0.99 0.85 0.00 0.00 6 R 8.80 4.88 0.00 1.92 2.02 0.00 2.79 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 7 E 8.87 4.19 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 8 L 8.56 4.28 0.00 1.64 1.47 1.01 0.68 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 9 E 9.31 4.84 0.00 2.12 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 10 T 8.66 3.89 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 1.23 0.00 0.00 11 N 8.10 4.55 0.00 2.72 2.89 0.00 0.00 6.90 8.06 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 12 D 8.30 4.59 0.00 2.85 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 13 L 7.81 4.18 0.00 1.76 1.83 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.08 4.75 0.00 2.68 2.75 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 0.00 0.00 0.00 15 N 7.63 4.70 0.00 2.85 2.80 0.00 0.00 6.88 6.72 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 16 F 8.04 4.10 0.00 3.32 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.70 0.00 2.28 2.07 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 18 E 8.68 4.24 0.00 2.05 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 2.38 2.40 0.00 19 I 8.40 4.47 2.23 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 1.08 0.00 0.00 20 D 9.28 4.67 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.66 5.14 0.00 2.87 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 22 S 8.55 4.83 0.00 3.93 3.91 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 23 F 8.66 4.97 0.00 2.95 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 I 8.28 4.57 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.89 0.00 0.00 25 V 8.48 4.06 0.67 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 0.80 0.00 0.00 0.59 0.00 0.00 26 N 8.57 5.11 0.00 2.81 2.93 0.00 0.00 5.93 7.98 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 27 A 7.66 5.12 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 28 R 8.89 4.82 0.00 1.93 2.01 0.00 2.81 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 29 L 8.27 4.76 0.00 1.44 1.62 0.76 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 *31 L 8.36 4.52 0.00 1.04 1.07 0.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 S 9.01 4.83 0.00 3.87 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 33 L 8.48 5.31 0.00 1.82 1.68 0.96 0.96 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 34 S 9.03 4.60 0.00 3.92 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 35 K 8.66 4.14 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 36 V 7.30 3.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 37 N 9.19 4.38 0.00 2.86 2.83 0.00 0.00 7.42 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 38 R 8.17 3.75 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 39 R 7.72 4.15 0.00 2.01 1.82 0.00 3.09 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 40 I 8.41 4.76 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 1.18 0.00 0.00 41 E 9.30 4.97 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 42 Y 7.77 5.31 0.00 2.90 2.89 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 43 T 8.65 4.84 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 1.21 0.00 0.00 44 V 8.50 4.77 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 0.84 0.00 0.00 1.14 0.00 0.00 45 E 9.06 4.77 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 46 D 8.85 5.05 0.00 2.62 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 47 V 8.20 4.64 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 0.73 0.00 0.00 1.02 0.00 0.00 48 P 0.00 4.28 0.00 2.09 2.05 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 49 S 8.78 5.27 0.00 3.77 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 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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 0.00 0.95 0.00 0.00 0.88 0.00 0.00 64 Y 8.10 4.34 0.00 2.88 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 65 N 8.30 4.34 0.00 2.78 2.84 0.00 0.00 7.22 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 66 E 8.24 4.10 0.00 2.10 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 67 Y 8.37 4.45 0.00 3.16 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 68 I 7.47 4.19 1.90 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 1.20 0.58 0.93 0.00 0.00 69 N 8.82 4.19 0.00 2.84 2.86 0.00 0.00 6.91 6.68 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 70 K 7.53 4.75 0.00 1.99 1.67 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 P 0.00 4.48 0.00 2.09 2.15 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 72 N 8.28 5.41 0.00 2.73 2.94 0.00 0.00 6.64 7.59 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 73 Q 8.13 5.26 0.00 2.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 74 I 8.23 4.53 1.57 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.43 -0.54 0.00 0.00 75 I 7.85 4.84 1.73 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 0.81 0.00 0.00 76 Y 8.80 5.19 0.00 2.87 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 77 I 8.87 4.98 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.86 0.00 0.00 78 A 8.91 5.04 1.21 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 0.00 0.00 79 L 9.12 5.06 0.00 1.56 1.46 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 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0.00 1.10 0.00 0.00 105 V 7.94 4.54 1.88 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 0.74 0.00 0.00 0.74 0.00 0.00 106 D 9.22 4.49 0.00 3.03 2.84 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 0.00 107 K 8.82 3.79 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 108 K 7.96 3.93 0.00 1.58 1.74 0.00 1.14 0.00 0.00 1.31 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.02 0.21 7.81 109 Y 7.78 4.61 0.00 2.94 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 0.00 110 R 7.48 3.99 0.00 1.72 1.74 0.00 3.16 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 111 T 8.46 3.39 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 112 L 7.98 4.52 0.00 1.79 1.71 1.00 0.99 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 0.00 113 G 8.21 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.75 3.61 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 0.94 0.00 0.00 0.86 0.00 0.00 115 G 7.93 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.25 4.06 0.00 1.92 2.01 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 117 R 7.91 3.92 0.00 1.99 1.93 0.00 3.32 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 118 L 7.96 3.96 0.00 1.87 1.72 0.86 0.72 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 0.00 119 I 8.08 3.82 2.10 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 1.92 0.97 1.10 0.00 0.00 120 A 8.21 3.96 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 0.00 121 Q 8.03 3.73 0.00 1.93 1.90 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.76 3.92 0.00 2.84 2.88 0.00 0.00 6.87 7.53 0.00 0.00 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 P 0.00 4.21 0.00 2.14 2.30 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.01 0.00 133 G 5.74 2.42 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 0.00 134 I 7.58 6.06 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.90 1.20 0.00 0.00 *136 L 8.12 3.51 0.00 1.26 1.40 -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.30 4.97 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.18 0.00 138 T 8.78 4.87 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 1.39 0.00 0.00 139 Q 8.53 5.22 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 140 N 9.11 4.49 0.00 2.98 3.07 0.00 0.00 6.89 6.55 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 0.00 141 N 8.08 4.81 0.00 2.90 3.02 0.00 0.00 5.89 8.04 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 0.00 142 N 7.87 4.78 0.00 2.79 2.74 0.00 0.00 6.80 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 0.00 143 V 7.53 3.53 2.06 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 1.07 0.00 0.00 0.92 0.00 0.00 144 A 7.83 3.84 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.68 3.44 1.05 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 0.00 146 C 7.91 3.57 0.00 3.06 3.08 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 0.00 0.00 0.00 147 K 8.20 3.96 0.00 1.81 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.60 7.81 148 F 7.93 3.98 0.00 2.79 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 0.00 149 Y 7.33 3.62 0.00 1.64 1.88 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 0.00 150 E 7.88 4.28 0.00 2.25 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 0.00 2.45 2.65 0.00 151 K 7.92 4.07 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 152 C 7.47 4.38 0.00 3.14 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 0.00 153 G 7.85 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.25 4.82 0.00 3.01 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 9.22 4.95 2.20 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 0.92 0.00 0.00 1.15 0.00 0.00 156 I 8.32 3.87 1.67 0.00 0.00 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 -0.30 -0.36 0.78 0.00 0.00 157 G 9.14 3.91 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 0.00 0.00 0.00 158 G 7.95 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 0.00 0.00 0.00 0.00 159 F 8.10 5.65 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 9.15 4.65 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 9.14 4.89 0.00 3.22 3.02 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 0.00 0.00 0.00 162 L 8.61 4.84 0.00 1.76 1.74 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.35 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 0.77 0.00 0.00 0.84 0.00 0.00 164 Y 8.05 4.24 0.00 3.12 3.15 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 0.00 0.00 0.00 0.00 165 K 7.50 4.52 0.00 1.93 1.94 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.55 7.81 166 G 7.76 3.74 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 0.00 0.00 0.00 167 L 7.82 4.29 0.00 1.89 1.80 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 168 N 7.96 5.01 0.00 2.83 2.70 0.00 0.00 6.83 7.08 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 *170 T 8.42 4.21 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 1.21 0.00 0.00 171 S 7.78 4.60 0.00 3.89 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 0.00 172 D 8.08 5.09 0.00 2.64 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 0.00 173 E 8.29 4.10 0.00 1.78 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 2.22 2.25 0.00 174 V 8.83 4.86 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 0.98 0.00 0.00 1.24 0.00 0.00 175 A 9.10 4.97 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 0.00 176 I 8.67 4.72 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.43 0.00 0.00 177 Y 8.84 5.04 0.00 3.05 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 0.00 178 W 8.73 5.39 0.00 2.67 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 0.00 179 Y 9.63 5.15 0.00 2.93 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 0.00 180 L 9.21 4.65 0.00 0.27 0.73 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.74 4.58 0.00 3.25 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.71 4.60 0.00 2.92 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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.