NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.0174 8.3149 121.7886 56.8796 33.2712 172.2623 7 Q 3.2201 8.7020 128.4399 53.6742 26.7785 172.9051 8 S 4.4151 8.5887 120.8428 57.6391 66.3041 174.4340 9 A 3.9853 8.3990 123.0308 54.9546 18.0327 179.4528 10 L 3.8831 7.8426 118.4292 58.4304 42.2252 178.7477 11 E 3.9775 8.1526 119.1660 59.3503 29.4824 178.8615 12 S 4.1160 8.1869 115.2452 61.5030 62.8827 176.6881 13 K 4.1376 8.5152 123.4137 58.7096 32.0176 178.5748 14 A 4.1412 8.1072 121.1113 55.4058 18.2212 179.8071 15 R 3.9067 8.2134 116.6192 59.5456 30.1264 179.5146 16 S 4.1897 8.4050 114.3396 61.3185 62.9044 176.3162 17 W 4.4979 9.0352 132.2923 60.1041 30.3521 178.0147 18 L 4.0233 8.1028 119.0508 57.8923 41.0978 179.5844 19 I 3.9783 7.6486 120.8764 63.8823 36.8416 178.1283 20 E 4.0726 8.4005 119.3786 58.9831 29.5610 178.1829 21 R 4.4039 7.8216 115.6775 56.1755 30.4515 177.0356 22 G 4.0192 8.0899 107.7181 44.9576 0.0000 173.3412 23 V 4.2714 8.2293 120.0358 60.7942 33.4254 174.8161 24 E 4.5738 9.2908 127.1298 54.7684 31.6326 177.1563 25 I 3.7068 8.4048 121.7523 65.0493 37.1473 178.5230 26 D 4.3861 8.1245 118.8580 57.3046 40.3803 178.4370 27 D 4.3749 7.7253 118.8682 57.4714 41.1750 178.5449 28 I 3.9051 7.7320 119.6200 64.1697 37.2641 178.0628 29 A 4.0576 8.1900 121.8044 55.2618 18.1600 179.5479 30 E 4.0154 8.3242 117.1570 59.5308 29.4786 179.5682 31 L 4.1030 7.8639 119.0872 57.6029 41.5884 179.6644 32 V 3.6295 7.7893 117.8641 65.8890 31.4983 177.6242 33 L 3.9862 8.0910 120.1106 58.1947 41.7148 178.5241 34 F 4.1909 8.2213 119.4627 61.5123 39.3336 176.7063 35 L 4.2429 7.9608 117.3133 56.7776 41.8542 178.2836 36 Q 4.5558 8.3275 116.9273 56.8265 30.1187 177.6133 37 Q 4.0679 8.4165 121.1258 59.0924 28.8293 178.2175 38 K 4.1877 8.1762 117.5154 58.3786 32.1714 177.4433 39 Y 4.4958 8.1895 115.9512 57.6463 40.4542 175.4329 40 H 4.8322 7.7798 115.3103 52.2789 29.5294 170.0917 41 P 4.2942 0.0000 0.0000 64.1369 31.8565 176.9818 42 G 4.0255 8.9169 109.8415 45.0181 0.0000 173.6146 43 L 4.1491 7.4958 122.4489 55.0685 42.1882 176.4700 44 E 4.7883 8.4715 124.4655 54.1380 33.7004 176.7088 45 L 4.0509 8.4301 121.7429 58.2538 42.0233 178.7583 46 D 4.3577 8.1189 118.7694 56.7908 39.3341 178.7261 47 I 3.7437 7.7163 121.0390 63.9431 37.2073 178.1019 48 C 4.1261 7.8005 116.6699 62.7213 27.9883 176.0200 49 R 3.8905 8.6457 120.6314 59.5998 29.6420 178.5013 50 Q 3.9961 8.1604 117.7285 59.2124 28.7316 178.7445 51 N 4.4297 8.0911 116.9479 56.0294 38.5078 177.7340 52 V 3.6248 7.7709 119.7890 65.9406 31.3885 177.8594 53 E 3.9719 8.0324 117.2900 59.8358 29.4734 178.7535 54 H 4.3580 8.1734 116.1446 58.8548 28.7700 178.0435 55 V 3.8095 7.9959 120.0128 66.1268 31.2425 178.0247 56 L 4.2036 7.9582 116.8429 56.9948 41.5328 178.7924 57 R 4.2298 7.5105 116.6452 56.1137 30.7423 176.4546 58 K 4.2943 7.6297 120.3911 55.3312 33.2337 177.6848 59 R 4.0594 8.7886 123.7305 59.7023 29.9198 178.3033 60 E 3.9432 8.1741 117.7430 59.5053 29.4246 179.4810 61 V 3.5798 7.6763 117.5057 66.0672 31.7557 177.8393 62 Q 4.0175 8.1805 117.7685 59.1508 28.6460 178.5629 63 N 4.3368 8.5850 117.5774 56.3632 38.5105 177.3444 64 A 3.9737 7.8637 121.6716 55.0162 18.4739 179.7335 65 V 3.5017 7.9745 116.8777 66.1647 31.5205 178.2630 66 L 4.1869 8.0156 118.4850 58.2308 41.6676 179.6686 67 T 3.8964 7.8815 115.5945 66.4940 68.4053 177.0594 68 G 3.1645 8.1066 107.6453 47.8241 0.0000 175.8916 69 I 3.3865 7.3715 122.8100 63.6202 36.6516 178.1996 70 Q 4.0142 7.5294 119.7669 59.3011 28.9285 178.3077 71 L 4.0289 7.2105 118.3362 57.7257 41.7783 178.8681 72 D 4.6026 8.0094 118.8697 57.2383 40.7415 179.6652 73 V 3.8179 7.8131 115.3663 63.7219 31.2506 177.2651 *75 A 4.4367 7.9476 121.9784 51.7170 20.3763 179.3925 76 E 3.8820 8.3352 115.8089 59.2661 29.6497 177.8752 77 K 4.1958 8.1400 115.1831 56.0213 32.3957 176.7892 78 G 3.9113 7.8221 107.1249 46.9302 0.0000 174.3355 79 E 4.4359 8.2847 116.5417 55.7534 30.2001 176.5227 80 L 4.4765 7.8420 119.4148 53.4917 43.0400 177.1739 81 V 3.8692 7.9574 114.0724 61.3364 32.3006 176.0644 82 Q 4.4701 8.3119 121.6262 55.2133 29.5307 175.0218 83 P 4.5793 0.0000 0.0000 63.1880 31.7643 177.5600 84 L 3.8120 7.8130 121.4350 58.4873 41.8386 178.1143 85 Q 3.9194 8.2737 119.5780 59.6610 28.9073 178.5232 86 N 4.3198 8.0315 116.6663 56.0569 38.5249 177.5693 87 I 3.5729 7.9461 121.6522 64.4943 37.3490 178.6035 88 I 3.4834 7.7706 120.7929 64.2705 36.7090 178.6491 89 S 4.0787 7.9391 114.7655 61.5722 62.8538 176.2327 90 A 4.1142 8.0787 120.5682 51.8470 19.1040 176.3117 91 D 4.2424 7.7136 115.4960 54.2265 40.3858 173.8949 92 E 3.9718 8.0406 117.9058 56.8820 30.3953 179.5636 93 G 3.6510 8.7616 111.8599 48.3771 0.0000 174.1306 94 L 4.2725 7.8405 116.9685 54.8185 42.0306 175.5419 95 Y 4.4341 7.8970 121.4662 56.5623 38.9307 174.9913 96 G 4.3514 7.9811 115.0203 44.2923 0.0000 174.5087 97 V 3.4366 6.3678 121.6522 65.4970 31.3612 177.7064 98 D 4.0935 7.3900 118.6563 56.3851 39.2015 178.3200 99 E 4.2239 7.8426 120.7580 58.2963 29.2963 179.2325 100 I 3.6074 7.3373 119.4463 64.2561 37.3876 177.8050 101 L 4.0852 8.1086 120.9926 58.1786 41.9311 178.8705 102 A 3.9021 8.0178 120.7543 54.9453 18.1781 179.2658 103 L 3.6545 7.7972 119.1552 58.1867 41.8273 179.4106 104 S 4.1214 7.5930 113.5656 61.0755 63.2482 176.4813 105 I 3.8515 7.5870 123.7736 64.2669 37.0016 178.2339 106 V 3.6597 7.6888 118.5682 66.3016 31.3384 177.5650 107 N 4.4969 8.5263 115.8286 56.0494 38.0811 177.5398 108 V 3.5937 7.5706 112.9067 63.4116 31.4729 176.3942 109 Y 4.4983 7.8019 114.3752 57.2919 38.6998 176.3080 110 G 3.9325 8.2042 107.1714 45.0875 0.0000 175.2390 111 S 2.7900 7.9546 112.8570 59.9044 62.5304 175.9060 112 I 3.8629 7.5101 115.3793 62.5480 37.6586 176.9471 113 G 4.0232 7.5397 108.0806 44.4522 0.0000 175.4663 114 F 4.6277 7.9925 121.1971 61.4068 38.9759 177.6876 115 T 4.0372 8.1181 108.4752 65.0792 68.5266 176.0216 116 N 4.5412 8.2880 118.8304 55.9756 38.3076 176.6539 117 Y 4.3273 8.2929 121.2996 60.7276 38.8393 178.3742 118 G 3.3119 7.9781 106.1661 47.6788 0.0000 174.9100 119 Y 4.2635 8.2608 122.3789 60.7002 38.7970 178.2824 120 I 3.4315 8.0189 119.4764 63.8498 37.8155 177.2886 121 D 4.1447 7.6165 117.8913 56.4892 40.9891 177.4482 122 K 4.1009 7.3801 119.4542 58.6556 32.5562 178.4239 123 V 3.5813 7.5041 117.7505 63.2582 32.6949 175.9823 124 K 3.6049 7.8307 117.0150 56.6573 30.0022 172.2231 125 P 4.3232 0.0000 0.0000 61.9564 34.1371 179.8640 126 G 3.7477 8.0143 108.5771 46.1111 0.0000 176.8269 127 I 3.6683 8.3890 123.8317 63.5899 38.1625 177.5933 128 L 3.9692 7.8528 119.8835 57.3756 41.3442 179.2009 129 A 4.0837 7.9877 121.8357 54.8252 18.9526 179.8485 130 K 4.0397 7.8619 115.5871 59.4952 32.1866 178.7508 131 L 4.2611 7.3819 114.9222 55.6072 42.1831 176.7358 132 N 4.9287 7.5998 116.0819 53.1781 39.2670 176.0004 133 E 3.7801 7.8497 116.6207 58.4213 30.1290 176.7813 134 H 3.9645 7.6610 113.4945 56.9891 26.4065 175.4234 135 D 4.5809 7.8065 114.7514 53.8518 39.5752 178.2981 136 G 3.8652 7.9847 108.1207 45.9337 0.0000 173.9548 137 I 4.1911 7.6251 117.1866 61.9602 39.9623 175.6114 138 A 4.5325 8.4093 121.9236 51.0775 19.5277 176.6326 139 V 4.3227 8.4406 120.3032 61.5873 33.7912 175.3420 140 H 5.2045 8.3628 125.2245 55.2087 30.1714 175.9099 141 T 3.8002 8.4754 118.1224 66.8706 68.5522 175.2544 142 F 4.2587 9.2600 119.4902 59.7171 39.2635 177.9305 143 L 4.0033 8.7878 120.8026 58.0007 41.8652 178.6250 144 D 4.3477 8.3328 119.2735 56.8108 39.1085 178.5399 145 D 4.5538 8.0703 119.8918 56.9514 40.8488 178.5638 146 I 3.7027 7.8312 120.4306 64.3112 37.1397 178.6674 147 V 3.6749 8.1194 119.2338 66.1176 31.4814 178.3227 148 G 3.7659 8.1670 105.1727 47.7957 0.0000 175.4730 149 A 4.1381 8.4372 123.2803 55.0491 18.3322 179.8063 150 I 3.6915 8.1900 118.4695 64.3069 37.0440 178.5391 151 A 3.9951 8.2536 121.5029 55.1521 18.2856 179.5771 152 A 3.9949 8.2599 119.1138 55.2344 18.5022 179.7244 153 A 4.0551 8.4666 119.4151 55.2677 18.5125 179.7278 154 A 3.7954 8.3399 119.2752 55.2652 18.4828 179.7254 155 A 3.9088 8.2690 119.4818 55.3325 18.4913 180.1419 156 S 3.9693 8.0337 113.7919 61.5731 62.9410 176.7288 157 R 3.5479 7.5600 121.4012 59.1205 29.6669 178.2632 158 L 3.6108 7.7230 119.8137 57.9351 41.8685 178.7408 159 A 3.9445 7.6440 120.6243 55.5972 18.1878 179.3932 160 H 4.1660 8.0454 114.6135 58.8523 28.4860 178.2446 161 S 4.0787 7.7213 116.1563 61.9473 62.7993 175.9720 162 Y 4.6317 7.6356 117.8316 61.6156 37.6444 177.8553 163 H 4.2285 8.0694 118.3883 58.5361 30.0957 175.1922 164 D 4.6837 8.0395 124.4594 53.5389 39.5978 175.7479 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 6 K 8.31 4.02 0.00 1.73 1.78 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 7 Q 8.70 3.22 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 8 S 8.59 4.42 0.00 4.05 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 9 A 8.40 3.99 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 10 L 7.84 3.88 0.00 1.77 1.68 0.99 0.92 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 11 E 8.15 3.98 0.00 2.11 1.94 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 2.32 2.37 0.00 12 S 8.19 4.12 0.00 4.04 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 13 K 8.52 4.14 0.00 1.83 1.81 0.00 1.39 0.00 0.00 1.53 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.36 7.81 14 A 8.11 4.14 1.48 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 15 R 8.21 3.91 0.00 2.04 2.02 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 16 S 8.41 4.19 0.00 4.04 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 17 W 9.04 4.50 0.00 3.55 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 18 L 8.10 4.02 0.00 2.01 1.73 0.96 0.77 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 19 I 7.65 3.98 2.08 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 1.42 1.78 1.00 0.00 0.00 20 E 8.40 4.07 0.00 2.22 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 21 R 7.82 4.40 0.00 1.95 1.96 0.00 3.39 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.51 0.00 22 G 8.09 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 23 V 8.23 4.27 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 0.99 0.00 0.00 0.89 0.00 0.00 24 E 9.29 4.57 0.00 2.11 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 2.26 2.41 0.00 25 I 8.40 3.71 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.97 0.99 0.00 0.00 26 D 8.12 4.39 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.73 4.37 0.00 2.88 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 28 I 7.73 3.91 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.94 0.00 0.00 29 A 8.19 4.06 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 30 E 8.32 4.02 0.00 2.27 2.03 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 2.35 2.60 0.00 31 L 7.86 4.10 0.00 1.92 1.77 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.79 3.63 2.27 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 1.10 0.00 0.00 1.04 0.00 0.00 33 L 8.09 3.99 0.00 1.88 1.92 1.03 0.72 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 34 F 8.22 4.19 0.00 3.16 3.32 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 35 L 7.96 4.24 0.00 1.91 1.77 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.33 4.56 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 37 Q 8.42 4.07 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 38 K 8.18 4.19 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 39 Y 8.19 4.50 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.78 4.83 0.00 3.42 3.11 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.29 0.00 2.02 1.99 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 2.00 2.08 0.00 42 G 8.92 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 0.00 0.00 0.00 43 L 7.50 4.15 0.00 1.85 1.70 1.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.47 4.79 0.00 2.27 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 2.33 2.50 0.00 45 L 8.43 4.05 0.00 1.78 1.69 0.93 1.09 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 46 D 8.12 4.36 0.00 2.92 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 47 I 7.72 3.74 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.26 0.83 0.00 0.00 48 C 7.80 4.13 0.00 3.19 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 49 R 8.65 3.89 0.00 1.93 2.12 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 50 Q 8.16 4.00 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 51 N 8.09 4.43 0.00 2.90 2.74 0.00 0.00 6.67 7.25 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 52 V 7.77 3.62 2.26 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 1.05 0.00 0.00 0.97 0.00 0.00 53 E 8.03 3.97 0.00 2.15 1.94 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 2.53 2.48 0.00 54 H 8.17 4.36 0.00 3.39 3.43 0.00 5.62 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 55 V 8.00 3.81 2.32 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 1.13 0.00 0.00 1.15 0.00 0.00 56 L 7.96 4.20 0.00 1.83 1.75 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.51 4.23 0.00 1.93 2.00 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 58 K 7.63 4.29 0.00 1.99 1.69 0.00 1.55 0.00 0.00 1.37 0.00 0.00 2.80 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.41 1.58 7.81 59 R 8.79 4.06 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 60 E 8.17 3.94 0.00 1.98 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 2.38 2.28 0.00 61 V 7.68 3.58 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 1.17 0.00 0.00 0.98 0.00 0.00 62 Q 8.18 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 63 N 8.59 4.34 0.00 2.85 2.88 0.00 0.00 6.96 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 64 A 7.86 3.97 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 65 V 7.97 3.50 2.27 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 1.04 0.00 0.00 0.99 0.00 0.00 66 L 8.02 4.19 0.00 1.88 1.87 1.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.88 3.90 4.17 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 0.00 0.00 0.00 1.11 0.00 0.00 68 G 8.11 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 0.00 0.00 0.00 69 I 7.37 3.39 0.90 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 1.07 0.50 -0.90 0.00 0.00 70 Q 7.53 4.01 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 71 L 7.21 4.03 0.00 1.09 1.44 0.28 0.76 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 72 D 8.01 4.60 0.00 2.74 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 73 V 7.81 3.82 2.37 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 1.17 0.00 0.00 1.04 0.00 0.00 *75 A 7.95 4.44 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 76 E 8.34 3.88 0.00 2.14 2.11 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 2.31 2.36 0.00 77 K 8.14 4.20 0.00 1.82 1.84 0.00 2.09 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.60 7.81 78 G 7.82 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 79 E 8.28 4.44 0.00 1.97 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 2.25 2.34 0.00 80 L 7.84 4.48 0.00 1.77 1.58 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.96 3.87 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 0.78 0.00 0.00 0.94 0.00 0.00 82 Q 8.31 4.47 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 83 P 0.00 4.58 0.00 2.24 2.27 0.00 3.72 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 2.04 2.01 0.00 84 L 7.81 3.81 0.00 1.78 1.92 0.91 0.71 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 85 Q 8.27 3.92 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 86 N 8.03 4.32 0.00 2.75 2.82 0.00 0.00 7.14 6.91 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 87 I 7.95 3.57 1.76 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 1.47 0.74 0.45 0.00 0.00 88 I 7.77 3.48 1.87 0.00 0.00 1.00 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 0.89 1.00 0.00 0.00 89 S 7.94 4.08 0.00 3.84 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 90 A 8.08 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 91 D 7.71 4.24 0.00 2.82 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 92 E 8.04 3.97 0.00 2.06 1.92 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 2.41 2.41 0.00 93 G 8.76 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.84 4.27 0.00 1.68 1.74 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.90 4.43 0.00 2.88 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 96 G 7.98 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 6.37 3.44 1.60 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 1.25 0.00 0.00 0.56 0.00 0.00 98 D 7.39 4.09 0.00 2.70 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 99 E 7.84 4.22 0.00 2.20 2.11 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 2.43 2.58 0.00 100 I 7.34 3.61 1.99 0.00 0.00 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 1.53 0.66 0.88 0.00 0.00 101 L 8.11 4.09 0.00 1.89 1.97 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.02 3.90 1.24 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 0.00 0.00 103 L 7.80 3.65 0.00 1.75 1.73 0.50 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.59 4.12 0.00 4.00 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 0.00 105 I 7.59 3.85 2.00 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 1.40 1.09 0.93 0.00 0.00 106 V 7.69 3.66 2.29 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 1.33 0.00 0.00 0.81 0.00 0.00 107 N 8.53 4.50 0.00 3.08 2.89 0.00 0.00 7.06 7.84 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 0.00 108 V 7.57 3.59 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 0.74 0.00 0.00 0.98 0.00 0.00 109 Y 7.80 4.50 0.00 3.00 2.90 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 0.00 110 G 8.20 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 0.00 0.00 0.00 111 S 7.95 2.79 0.00 3.32 3.55 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 0.00 112 I 7.51 3.86 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.82 0.00 0.00 113 G 7.54 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 0.00 114 F 7.99 4.63 0.00 3.17 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 0.00 115 T 8.12 4.04 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 0.00 116 N 8.29 4.54 0.00 2.86 3.05 0.00 0.00 6.78 7.48 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 0.00 117 Y 8.29 4.33 0.00 3.18 3.30 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 0.00 118 G 7.98 3.31 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 0.00 127 I 8.39 3.67 1.84 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 1.38 1.15 0.87 0.00 0.00 128 L 7.85 3.97 0.00 1.73 1.63 0.85 0.68 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 0.00 129 A 7.99 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.86 4.04 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.37 7.81 131 L 7.38 4.26 0.00 1.69 1.60 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.60 4.93 0.00 2.89 2.86 0.00 0.00 7.14 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 0.00 133 E 7.85 3.78 0.00 2.08 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 2.35 2.57 0.00 134 H 7.66 3.96 0.00 3.41 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.81 4.58 0.00 2.90 2.90 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 0.00 136 G 7.98 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 0.00 137 I 7.63 4.19 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 1.22 1.00 1.05 0.00 0.00 138 A 8.41 4.53 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.44 4.32 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 0.82 0.00 0.00 0.89 0.00 0.00 140 H 8.36 5.20 0.00 3.29 3.16 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.48 3.80 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 1.04 0.00 0.00 142 F 9.26 4.26 0.00 3.38 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 0.00 143 L 8.79 4.00 0.00 1.82 1.70 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.33 4.35 0.00 2.98 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 0.00 145 D 8.07 4.55 0.00 2.90 2.90 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 0.00 146 I 7.83 3.70 2.04 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 1.44 0.87 0.92 0.00 0.00 147 V 8.12 3.67 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 1.01 0.00 0.00 0.95 0.00 0.00 148 G 8.17 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.44 4.14 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 0.00 150 I 8.19 3.69 2.03 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 1.49 0.84 0.95 0.00 0.00 151 A 8.25 4.00 1.44 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 0.00 0.00 0.00 152 A 8.26 3.99 1.59 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 0.00 153 A 8.47 4.06 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 0.00 154 A 8.34 3.80 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 0.00 155 A 8.27 3.91 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 0.00 156 S 8.03 3.97 0.00 4.08 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 0.00 157 R 7.56 3.55 0.00 0.67 1.56 0.00 2.65 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.00 158 L 7.72 3.61 0.00 1.57 1.63 0.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.64 3.94 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 0.00 160 H 8.05 4.17 0.00 3.33 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.72 4.08 0.00 3.75 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 0.00 162 Y 7.64 4.63 0.00 2.89 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 0.00 163 H 8.07 4.23 0.00 3.10 3.52 0.00 5.91 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.04 4.68 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.