NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2899 8.2601 123.5917 51.7519 20.0009 176.0367 3 A 3.8789 8.3071 120.0040 51.4090 18.7804 172.6758 4 V 4.1170 8.8943 122.2627 61.8554 31.9419 174.3279 5 I 3.8937 8.3904 128.9015 64.0341 37.1112 176.5492 6 L 4.7899 7.4784 119.5058 53.1946 46.4716 174.7781 7 E 5.9782 8.6632 121.0886 55.4886 32.4628 174.2102 8 S 4.6155 8.9745 121.1327 57.6832 68.1176 172.8403 9 I 4.8875 7.8814 122.0263 60.0236 38.3292 175.2846 10 F 5.3840 8.9666 124.9290 55.5427 43.6431 173.5134 11 L 4.5233 8.4092 121.9950 53.5156 43.7204 174.9757 12 K 5.0874 9.6389 128.1560 54.6698 35.1093 174.8096 13 R 4.0139 8.2668 126.4577 54.7054 31.4773 175.9214 14 S 4.1927 8.1542 120.1688 58.6926 62.3560 174.5522 15 Q 4.0468 8.9119 125.2573 56.7951 29.3123 175.8200 16 Q 3.4891 8.0348 115.3602 56.8799 26.0797 174.7076 17 K 3.9477 8.0916 117.3186 58.3188 32.9527 177.6557 18 K 4.1841 7.4139 118.2014 55.5017 32.3810 180.1138 19 K 4.1727 7.2998 120.3922 57.8654 34.1376 176.7604 20 T 3.9746 7.7166 113.2180 64.4141 69.3394 175.2924 21 S 4.0470 7.7699 117.0059 58.1858 63.3565 172.7658 22 P 4.3857 0.0000 0.0000 62.5463 32.1950 177.0754 23 L 4.2420 8.2190 125.3760 53.8189 40.6407 174.7383 24 N 5.0407 7.4863 119.9710 51.3538 41.1488 174.9185 25 F 5.2119 8.7394 117.4147 55.6929 41.1585 175.4944 26 K 4.7643 9.2321 122.0606 54.4707 36.4667 175.3096 27 K 4.8899 8.6018 122.1979 55.8772 33.2316 176.4564 28 R 4.9669 9.0188 122.6901 54.3919 35.3547 173.8695 29 L 4.8640 9.1217 124.2714 54.5687 43.4497 175.2909 30 F 5.3638 9.9363 126.8102 56.0441 41.4936 174.9410 31 L 5.6961 9.6170 122.7783 53.0023 45.5559 175.2146 32 L 5.5333 9.1412 124.7186 53.6712 44.3777 175.2930 33 T 5.1887 8.6512 114.7312 60.0347 72.4226 174.8301 34 V 3.7029 8.5429 113.2840 63.7362 32.0284 176.8955 35 H 4.8738 7.6460 116.7984 56.7791 30.8783 175.1418 36 K 5.0088 8.7629 116.2831 54.8734 37.3655 175.1940 37 L 5.3270 8.9304 125.8123 53.6328 43.8897 175.3061 38 S 5.0605 9.3699 120.9783 56.5679 66.9039 172.4780 39 Y 5.1678 7.6551 118.6335 55.4867 40.9637 173.9261 40 Y 4.9742 9.1100 118.3267 55.8647 42.9840 174.2190 41 E 4.5094 9.5627 122.4384 56.5426 31.0115 174.6212 42 Y 4.8579 8.6724 127.4502 56.4474 40.6445 175.2534 43 D 4.4621 8.0825 127.6231 52.3958 40.1558 176.1974 44 F 4.0971 8.5399 126.2032 60.8568 39.6088 176.7090 45 E 3.6610 7.9348 118.2589 59.8024 29.4165 178.2368 46 R 3.8745 8.4540 116.7916 56.4310 30.7698 176.8766 47 G 3.8454 7.0885 106.6097 45.3731 0.0000 172.1602 48 R 4.5475 7.3194 113.2431 54.7455 33.8363 175.9371 49 R 4.1448 8.6630 120.6852 56.5107 30.2611 176.6535 50 G 4.3113 8.9093 116.8123 46.4097 0.0000 173.5692 51 S 4.8613 8.6355 118.4971 57.0833 65.3655 174.0118 52 K 4.0137 8.6529 123.3963 56.6948 31.9284 176.4644 53 K 4.3206 8.0113 125.8603 57.1530 34.3453 176.0420 54 G 3.2664 6.2983 104.5921 46.3833 0.0000 172.1415 55 S 4.8663 7.8127 111.4356 57.2724 65.2575 174.3201 56 I 4.5555 8.8132 126.8524 59.4618 41.0091 174.4763 57 D 4.8594 8.5644 125.8793 53.3478 41.7816 177.3159 58 V 3.6496 8.5177 125.3181 66.1287 31.5601 177.9268 59 E 4.5394 8.0712 115.0435 58.0552 29.5225 177.5278 60 K 4.3196 8.2501 117.8943 56.9405 32.7099 176.8617 61 I 4.2770 7.5384 121.5642 61.3269 37.7419 175.6703 62 T 4.5961 8.3378 113.9808 61.9361 71.0778 173.3792 63 C 4.8728 7.6552 120.5091 58.5214 35.1142 172.6117 64 V 4.9288 8.2278 124.2729 61.6226 34.0432 173.8239 65 E 4.8077 8.9192 125.9679 55.2771 34.8290 174.4696 66 T 4.5758 8.3679 111.6576 61.5956 70.3482 173.9910 67 V 4.5031 7.9829 120.4923 60.5535 34.4093 175.2683 68 V 3.7064 8.6311 128.2949 62.4648 31.6832 174.2040 69 P 4.5809 0.0000 0.0000 62.6573 31.8648 175.9945 70 E 4.3403 8.8596 120.2675 56.6817 30.1464 177.8942 71 K 4.1520 8.6633 119.9386 59.4294 32.6167 178.2547 72 N 4.9286 7.5716 115.5799 50.7748 38.1885 172.1815 73 P 4.2753 0.0000 0.0000 61.3030 32.6845 175.0498 74 P 4.4952 0.0000 0.0000 61.1981 32.7145 175.3226 75 P 4.1117 0.0000 0.0000 65.8880 31.4024 178.3610 76 E 3.8644 8.2218 117.9857 58.7672 29.1460 178.1545 77 R 4.7581 8.0240 115.5258 54.7582 30.9939 174.8951 78 Q 4.2857 7.7840 117.0308 54.2688 30.0961 176.1468 79 I 3.5611 7.9072 121.6722 61.3379 35.7851 175.5206 *88 E 4.1545 7.8537 126.3894 54.2400 31.2698 176.1589 89 M 4.7544 7.4039 114.9904 53.3573 36.5621 175.8897 90 E 4.5379 8.2582 119.5368 56.4468 29.8716 177.9762 91 Q 4.2245 7.9183 121.0583 58.8119 29.7320 176.8168 92 I 4.1320 7.5517 120.0823 63.4048 37.8269 178.0521 93 S 4.1498 7.7135 114.0668 60.9051 62.6570 175.8125 94 I 3.8739 7.0986 121.4259 62.1511 37.7828 175.8883 95 I 4.6557 7.1927 110.5048 60.7693 38.1970 175.3941 96 E 4.5152 7.9212 119.8111 57.4871 31.8440 176.0728 97 R 4.6240 7.6349 119.4764 54.6223 31.1819 174.9370 98 F 5.1412 9.2058 124.7753 55.0599 39.3994 173.2135 99 P 4.7171 0.0000 0.0000 61.9330 32.4171 176.0951 100 Y 4.8299 7.6917 118.2031 56.0078 38.7424 173.0498 101 P 4.9861 0.0000 0.0000 61.8803 33.7152 174.9239 102 F 5.5194 8.9935 115.9785 55.3614 42.3033 172.9996 103 Q 4.8833 9.6985 117.5443 54.3554 31.7681 174.7266 104 V 4.3344 8.6489 122.5810 61.2528 33.5325 174.5077 105 V 4.4126 8.7369 129.1646 62.9228 33.0554 175.1949 106 Y 5.1089 7.8251 122.2317 56.7908 39.8388 172.5141 107 D 4.0926 8.4211 116.6153 59.2232 41.6629 177.8409 108 E 3.8460 7.0476 121.5713 56.8120 27.1293 177.1468 109 G 3.6411 7.2333 113.1646 44.0027 0.0000 168.2207 110 P 4.8723 0.0000 0.0000 61.3387 32.7346 175.6957 111 L 4.3776 8.6580 126.3492 54.1075 43.8193 174.5452 112 Y 5.0053 8.4125 123.9403 56.4472 40.2653 174.5760 113 V 4.3777 8.2732 124.5375 60.7603 34.6031 174.0309 114 F 5.0129 9.3091 126.9242 55.9303 41.0929 174.9168 115 S 5.4691 9.0794 119.9398 56.8374 63.5220 173.4397 116 P 4.7494 0.0000 0.0000 64.3123 32.0612 176.9931 117 T 4.8304 7.9379 108.4433 59.1718 73.0575 174.7532 118 E 3.6991 7.9853 121.5489 59.0292 29.4581 179.3426 119 E 3.8024 7.9161 119.1665 59.1576 29.8777 178.2368 120 L 4.0901 7.9980 120.3510 58.3905 42.1049 178.8586 121 R 3.6170 7.9527 118.1119 59.1023 29.8766 178.2229 122 K 3.7912 7.9468 119.3771 59.7682 32.1467 179.0253 123 R 3.9019 8.0379 118.1755 58.9128 29.9330 179.1714 124 W 3.7586 8.4005 118.8303 59.7939 29.0786 178.6653 125 I 3.7050 7.7540 119.8995 64.3913 36.5446 178.0525 126 H 4.0305 8.2855 119.1880 59.4803 29.8356 177.3136 127 Q 3.9195 8.3194 120.1940 58.9488 28.4322 179.0267 128 L 4.0269 8.3499 120.3421 57.8468 41.4707 179.7953 129 K 4.0024 7.7778 117.2417 59.1154 32.0805 179.0806 130 N 4.3521 7.7742 116.6167 56.4416 38.3392 177.9774 131 V 3.7370 7.6476 112.4346 63.5501 31.8416 177.6624 132 I 4.1615 7.5288 110.8651 60.9572 37.6942 177.8661 133 R 3.4849 7.0167 120.2706 59.8077 29.7378 177.0217 134 Y 4.5984 7.0084 112.0146 57.9888 37.9990 175.5695 135 N 4.7152 8.1826 119.1535 53.2356 39.4474 176.6118 136 S 4.2500 8.6689 115.7219 61.0470 63.2710 175.9220 137 D 4.8999 7.6717 117.9885 52.7986 39.6932 177.3484 138 L 4.6717 7.7329 120.4304 55.5774 39.9735 177.5316 139 V 3.8370 7.9832 116.4101 61.2669 32.8281 175.6466 140 Q 4.7147 8.5445 118.5882 55.5556 30.4215 175.1160 141 K 5.4017 7.9474 117.2342 55.2210 36.3259 174.7879 142 Y 4.6880 8.9331 119.7419 56.6920 41.8774 172.7785 143 H 4.6221 8.2541 116.8043 53.7143 30.1191 174.6494 144 P 4.0681 0.0000 0.0000 63.7963 31.7177 175.4293 145 C 5.0682 6.9505 115.6074 57.1930 31.8970 173.6874 146 F 4.0226 8.5385 119.4640 57.9405 40.1689 174.0292 147 W 4.6911 8.4776 129.8808 56.0574 31.4139 174.9673 148 I 4.2021 7.7823 127.9961 60.4376 39.9675 175.5847 149 D 3.9051 8.6019 123.8948 56.1087 37.3135 173.5795 150 G 3.9110 6.9067 104.5222 45.5856 0.0000 170.1774 151 Q 4.3992 6.1127 115.0233 55.0840 31.4345 173.3755 152 Y 4.7801 8.1632 117.4251 57.5788 39.0540 175.5102 153 L 4.5650 8.0676 118.9271 56.4199 43.5037 178.1708 154 C 4.0692 8.4237 112.6402 60.8117 29.1596 173.1371 155 C 4.9484 7.7951 112.0293 55.9005 32.1560 173.3326 156 S 4.9226 8.3760 112.2710 58.3423 62.9747 174.8589 157 Q 4.2447 8.1357 120.0422 56.8081 28.9205 176.9709 158 T 4.8363 8.7882 108.4272 60.5096 69.4643 173.3425 159 A 4.6652 7.8318 125.8885 50.6013 20.4066 178.2787 160 K 3.4543 8.9516 125.2786 59.0301 32.2498 177.5238 161 N 4.9110 7.7928 113.7513 52.3926 37.9723 174.7260 162 A 4.2351 7.8829 121.9684 52.7843 19.1924 178.1706 163 M 4.0230 8.7509 121.3492 55.5954 32.7474 176.5721 164 G 3.3263 8.3844 113.3624 45.9787 0.0000 173.0214 165 C 4.5156 8.0099 114.4555 58.4727 30.7683 173.2769 166 Q 4.6435 7.8084 118.0207 54.0283 33.0360 174.4733 167 I 4.4047 8.2583 122.0660 61.0639 38.9422 174.8961 168 L 4.3865 8.3008 129.1530 53.7348 43.2521 176.1167 169 E 4.0017 8.4962 125.5553 57.0937 29.9549 176.6824 170 N 4.6140 8.7829 120.5006 53.7409 38.3231 174.1630 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 A 8.26 4.29 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 3 A 8.31 3.88 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 4 V 8.89 4.12 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 0.94 0.00 0.00 0.96 0.00 0.00 5 I 8.39 3.89 1.84 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 1.17 0.60 0.73 0.00 0.00 6 L 7.48 4.79 0.00 0.35 0.92 -0.29 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.66 5.98 0.00 2.04 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 2.28 2.31 0.00 8 S 8.97 4.62 0.00 2.72 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 9 I 7.88 4.89 1.85 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.31 0.98 0.00 0.00 10 F 8.97 5.38 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.41 4.52 0.00 0.75 1.44 0.71 0.21 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 12 K 9.64 5.09 0.00 1.83 1.67 0.00 1.12 0.00 0.00 0.73 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.23 7.81 13 R 8.27 4.01 0.00 1.88 1.84 0.00 3.13 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 14 S 8.15 4.19 0.00 4.18 3.70 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 15 Q 8.91 4.05 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 16 Q 8.03 3.49 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 17 K 8.09 3.95 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.46 7.81 18 K 7.41 4.18 0.00 1.77 1.71 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.40 7.81 19 K 7.30 4.17 0.00 1.81 1.99 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.46 7.81 20 T 7.72 3.97 4.25 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 1.21 0.00 0.00 21 S 7.77 4.05 0.00 3.90 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 22 P 0.00 4.39 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 23 L 8.22 4.24 0.00 1.61 1.60 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.49 5.04 0.00 2.83 2.93 0.00 0.00 5.93 8.12 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 25 F 8.74 5.21 0.00 2.75 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 26 K 9.23 4.76 0.00 1.58 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.55 7.81 27 K 8.60 4.89 0.00 1.67 1.76 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.41 7.81 28 R 9.02 4.97 0.00 1.77 1.88 0.00 3.49 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 29 L 9.12 4.86 0.00 1.97 1.75 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.94 5.36 0.00 2.92 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 31 L 9.62 5.70 0.00 1.85 1.72 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.14 5.53 0.00 1.91 1.23 1.09 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.65 5.19 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 34 V 8.54 3.70 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 0.69 0.00 0.00 0.65 0.00 0.00 35 H 7.65 4.87 0.00 3.28 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.76 5.01 0.00 1.69 1.69 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.53 7.81 37 L 8.93 5.33 0.00 1.94 1.64 1.63 0.96 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 38 S 9.37 5.06 0.00 3.63 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 39 Y 7.66 5.17 0.00 2.31 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.97 0.00 2.88 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 41 E 9.56 4.51 0.00 2.21 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 2.37 2.33 0.00 42 Y 8.67 4.86 0.00 3.06 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 43 D 8.08 4.46 0.00 2.66 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.54 4.10 0.00 3.34 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 45 E 7.93 3.66 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 46 R 8.45 3.87 0.00 1.78 1.89 0.00 3.27 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 47 G 7.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.32 4.55 0.00 1.82 1.93 0.00 2.73 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 49 R 8.66 4.14 0.00 1.75 1.75 0.00 2.21 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.00 50 G 8.91 4.31 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 0.00 51 S 8.64 4.86 0.00 3.93 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 52 K 8.65 4.01 0.00 1.50 1.57 0.00 1.51 0.00 0.00 1.36 0.00 0.00 2.54 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 0.52 7.81 53 K 8.01 4.32 0.00 1.64 1.85 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.57 7.81 54 G 6.30 3.27 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 0.00 55 S 7.81 4.87 0.00 3.55 3.49 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 56 I 8.81 4.56 1.74 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.52 0.55 0.00 0.00 57 D 8.56 4.86 0.00 2.73 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 58 V 8.52 3.65 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 1.00 0.00 0.00 1.01 0.00 0.00 59 E 8.07 4.54 0.00 2.15 2.12 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 2.31 2.27 0.00 60 K 8.25 4.32 0.00 1.89 2.03 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 61 I 7.54 4.28 2.02 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 1.31 0.61 0.99 0.00 0.00 62 T 8.34 4.60 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 63 C 7.66 4.87 0.00 2.98 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 64 V 8.23 4.93 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 0.97 0.00 0.00 1.00 0.00 0.00 65 E 8.92 4.81 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.52 0.00 66 T 8.37 4.58 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 1.21 0.00 0.00 67 V 7.98 4.50 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.90 0.00 0.00 68 V 8.63 3.71 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 0.82 0.00 0.00 0.94 0.00 0.00 69 P 0.00 4.58 0.00 2.16 2.09 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 70 E 8.86 4.34 0.00 1.96 1.86 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 1.38 0.88 0.92 0.00 0.00 96 E 7.92 4.52 0.00 1.96 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 2.19 2.31 0.00 97 R 7.63 4.62 0.00 1.71 1.63 0.00 2.98 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 98 F 9.21 5.14 0.00 3.11 3.18 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 99 P 0.00 4.72 0.00 1.59 1.96 0.00 3.39 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.53 0.00 100 Y 7.69 4.83 0.00 3.08 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 0.00 101 P 0.00 4.99 0.00 1.59 0.86 0.00 3.75 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 102 F 8.99 5.52 0.00 3.10 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 0.00 103 Q 9.70 4.88 0.00 1.89 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 104 V 8.65 4.33 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 1.00 0.00 0.00 0.96 0.00 0.00 105 V 8.74 4.41 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 0.94 0.00 0.00 1.00 0.00 0.00 106 Y 7.83 5.11 0.00 3.09 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 0.00 107 D 8.42 4.09 0.00 2.53 2.59 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 0.00 108 E 7.05 3.85 0.00 1.43 1.69 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 2.17 2.12 0.00 109 G 7.23 3.64 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 0.00 0.00 0.00 110 P 0.00 4.87 0.00 1.24 1.77 0.00 3.48 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 111 L 8.66 4.38 0.00 1.82 1.62 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.41 5.01 0.00 3.16 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 0.00 113 V 8.27 4.38 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 -0.65 0.00 0.00 0.25 0.00 0.00 114 F 9.31 5.01 0.00 3.14 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 0.00 115 S 9.08 5.47 0.00 3.94 4.08 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 0.00 116 P 0.00 4.75 0.00 2.14 1.83 0.00 3.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 117 T 7.94 4.83 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 1.27 0.00 0.00 118 E 7.99 3.70 0.00 1.68 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 1.76 1.47 0.00 119 E 7.92 3.80 0.00 1.96 1.93 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 2.36 2.29 0.00 120 L 8.00 4.09 0.00 1.96 2.01 1.19 0.89 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 0.00 121 R 7.95 3.62 0.00 1.95 2.01 0.00 3.30 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 0.00 122 K 7.95 3.79 0.00 2.04 1.98 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 123 R 8.04 3.90 0.00 2.11 1.91 0.00 3.31 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 124 W 8.40 3.76 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.75 3.71 1.94 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 1.22 0.23 0.85 0.00 0.00 126 H 8.29 4.03 0.00 3.26 3.35 0.00 5.60 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 0.00 127 Q 8.32 3.92 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 128 L 8.35 4.03 0.00 1.78 1.78 1.28 0.81 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 7.67 4.90 0.00 2.78 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 0.00 138 L 7.73 4.67 0.00 1.63 1.67 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.98 3.84 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 0.74 0.00 0.00 1.06 0.00 0.00 140 Q 8.54 4.71 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 141 K 7.95 5.40 0.00 1.58 1.65 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.42 7.81 142 Y 8.93 4.69 0.00 2.97 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 0.00 143 H 8.25 4.62 0.00 2.69 2.68 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.07 0.00 2.01 1.92 0.00 3.24 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.09 0.00 145 C 6.95 5.07 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.54 4.02 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 8.48 4.69 0.00 3.29 3.27 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 0.00 148 I 7.78 4.20 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.79 0.00 0.00 149 D 8.60 3.91 0.00 2.61 2.49 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 0.00 150 G 6.91 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 0.00 151 Q 6.11 4.40 0.00 2.43 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 152 Y 8.16 4.78 0.00 3.11 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 0.00 153 L 8.07 4.57 0.00 1.76 1.72 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 154 C 8.42 4.07 0.00 2.98 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 0.00 155 C 7.80 4.95 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.38 4.92 0.00 3.87 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 0.00 157 Q 8.14 4.24 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 158 T 8.79 4.84 4.36 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 1.28 0.00 0.00 159 A 7.83 4.67 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 0.00 160 K 8.95 3.45 0.00 1.42 1.63 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 0.99 7.81 161 N 7.79 4.91 0.00 2.83 2.80 0.00 0.00 5.98 7.26 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 0.00 162 A 7.88 4.24 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 0.00 163 M 8.75 4.02 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 164 G 8.38 3.33 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 0.00 165 C 8.01 4.52 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 0.00 166 Q 7.81 4.64 0.00 1.71 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 167 I 8.26 4.40 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.95 0.00 0.00 168 L 8.30 4.39 0.00 1.65 1.45 0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.50 4.00 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 170 N 8.78 4.61 0.00 2.84 2.83 0.00 0.00 7.00 7.56 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 * Residues marked with a * may have inaccurate shift predictions.