NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 Q 4.1874 8.3444 119.1191 53.7501 30.2612 174.5770 9 V 3.3072 7.7492 118.4492 61.8897 32.3072 170.6208 10 E 4.8958 8.2444 127.3026 56.3248 33.6951 179.2082 11 A 4.1373 8.6993 116.3151 51.3684 20.8951 177.0495 12 I 3.9207 7.9378 123.5978 60.6988 38.7786 174.1044 13 K 3.1050 7.4546 121.9292 55.7564 33.7983 174.9051 14 R 4.9091 8.2452 114.2155 53.4799 33.4840 175.3986 15 G 3.0212 6.7666 112.6236 46.1875 0.0000 171.0067 16 T 4.4631 6.7438 115.2976 62.0370 71.9571 174.1310 17 V 4.5097 7.8481 121.6300 61.7700 35.2637 173.9298 18 I 4.6726 8.2996 129.3097 59.2742 36.6525 173.8925 19 D 4.1439 8.5716 125.3096 55.4900 42.7690 172.3933 20 H 4.5334 9.0125 124.8392 55.7525 25.1038 172.5193 21 I 4.5020 8.5623 122.1778 58.5411 40.0769 173.3897 22 P 4.2220 0.0000 0.0000 62.2188 31.6568 175.5967 23 A 4.3818 8.6355 125.5737 54.0682 18.5974 177.5280 24 Q 3.6289 8.7817 117.2653 56.9590 27.2016 174.9442 25 I 4.4317 7.9288 118.6398 61.7869 37.8513 177.5705 26 G 3.7090 8.2075 106.8747 46.9730 0.0000 175.9082 27 F 4.2731 8.1685 122.6730 61.1707 39.5452 177.2885 28 K 3.7289 7.7872 116.8410 59.0065 31.9776 178.8573 29 L 4.1207 7.5989 115.0303 55.9509 41.4288 177.5981 30 L 4.4735 7.2216 117.8113 56.7028 43.6195 178.3663 31 S 3.9881 8.0093 114.4845 61.0839 62.6369 176.2271 32 L 3.8030 7.7236 123.2670 56.8879 42.1682 177.2834 33 F 4.4538 7.0158 115.5262 56.5500 40.1562 175.0563 34 K 4.4155 8.3478 119.8062 57.2565 32.1009 178.8492 35 L 4.4860 8.1137 114.4372 55.8119 41.3363 177.3551 36 T 4.3717 7.8859 113.4019 63.9534 68.7808 175.3620 37 E 3.9625 8.3076 118.9459 59.6558 29.5982 178.0116 38 T 3.9204 7.7672 112.9606 62.3014 67.7038 173.3462 39 D 4.3995 8.7922 129.3562 57.1275 41.2751 176.4929 40 Q 3.8235 8.6287 118.0873 57.5543 28.0949 176.5726 41 R 3.4749 7.3016 121.4667 51.5888 30.7008 174.4032 42 I 4.6775 8.1841 124.7151 59.9181 40.5131 175.8959 43 T 4.5158 8.3965 123.2972 61.5046 68.3850 171.5316 44 I 3.7327 8.0215 123.7529 60.6401 39.2114 176.1332 45 G 4.0188 8.6929 118.8176 44.6306 0.0000 171.0149 46 L 4.4381 8.0525 126.3458 56.0796 43.4144 173.6036 47 N 4.1719 9.5688 127.9989 53.7414 36.6783 173.3807 48 L 4.5621 8.3199 121.4755 52.4345 46.2743 173.6793 49 P 4.3469 0.0000 0.0000 63.3179 31.5834 175.9043 50 S 4.3211 8.5263 116.3830 60.0687 63.2079 173.9826 51 G 4.3977 8.6325 111.1726 45.8756 0.0000 174.4463 52 E 4.1616 7.8874 117.5683 57.4984 30.3937 175.4063 53 M 4.8331 7.7317 117.4436 53.6983 34.8359 174.4139 54 G 3.7893 8.1133 105.7461 46.1246 0.0000 173.8614 55 R 4.8667 7.0569 116.8276 53.1655 32.7780 175.2358 56 K 4.3975 7.4299 115.1873 57.3805 37.5717 172.8287 57 D 5.3136 8.4890 118.3189 52.9742 45.6584 174.7747 58 L 5.0567 8.7574 123.3343 53.6085 45.1219 175.4103 59 I 4.6147 8.1320 127.2209 59.6953 39.4529 176.0512 60 K 4.8073 7.6742 121.8418 55.4108 32.5000 176.6658 61 I 3.8291 7.6697 121.8338 60.6412 39.2809 176.2979 62 E 4.3830 8.3434 131.3867 55.8155 30.4930 177.6638 63 N 3.7195 8.7342 117.7302 54.7950 38.4601 175.1357 64 T 4.3019 8.4814 115.8665 62.5017 69.1484 174.0165 65 F 4.6461 8.6707 124.3050 54.6017 41.3785 175.0919 66 L 4.7769 8.2581 124.7189 51.3779 41.8167 176.0897 67 S 3.8670 8.0925 116.0004 61.3852 62.4630 174.4465 68 E 4.6644 7.9869 116.6443 55.6781 33.6849 176.5299 69 D 4.3973 8.2957 117.7947 58.1380 41.1797 176.9963 70 Q 5.4157 7.7765 117.1592 56.1030 28.9526 177.4546 71 V 3.8717 7.4029 120.4007 65.4851 31.9625 177.3658 72 D 4.6148 7.9408 119.8166 56.8405 40.8683 178.6989 73 Q 4.2802 7.8064 116.4418 58.0601 28.9102 178.0679 74 L 4.7513 7.8728 118.7034 54.8216 41.9086 177.8866 75 A 4.4506 8.6514 124.0258 54.4871 18.0261 179.3872 76 L 3.8901 7.7996 115.8061 58.7564 40.6142 177.8448 77 Y 3.8630 8.0508 116.6843 58.6685 37.2053 177.0558 78 A 4.3639 6.0865 135.0000 50.7291 18.2524 176.6768 79 P 4.4352 0.0000 0.0000 65.3535 31.5982 176.5186 80 Q 4.4331 7.7557 118.4254 53.4192 29.9106 174.7905 81 A 4.8202 8.1260 123.5564 52.0469 22.5664 174.6680 82 T 4.5337 8.7156 112.1828 62.6819 73.7578 174.0300 83 V 4.8856 8.1719 125.1874 59.9039 31.4401 174.6142 84 N 4.8164 7.8545 126.6669 51.0439 35.9977 174.9126 85 R 4.0353 7.5111 125.4030 56.7965 29.6234 176.6137 86 I 3.8509 7.5871 120.7065 61.7278 38.5315 176.4041 87 D 4.8136 8.9525 129.0300 53.4354 41.0648 175.1794 88 N 4.0193 8.3416 127.2264 54.1137 35.8487 175.3857 89 Y 3.9553 8.3165 114.0502 58.4843 38.0129 169.9628 90 E 4.6705 7.6571 120.0423 53.9374 31.4807 175.6061 91 V 3.8939 7.9017 124.3444 63.1501 32.5463 176.9320 92 V 4.5571 8.0938 127.2388 61.7683 31.7503 174.6662 93 G 4.5087 7.6699 107.5029 42.8426 0.0000 172.1984 94 K 4.6180 8.4136 123.7317 54.2435 32.2363 174.7253 95 S 4.6928 7.8265 114.0129 55.9683 66.3915 174.2679 96 R 4.6144 8.3410 122.7773 54.1074 32.9314 174.3934 97 P 4.7819 0.0000 0.0000 61.3789 30.5036 176.2572 98 S 4.4715 7.7312 115.6487 58.7506 63.9647 174.4686 99 L 4.2315 8.2982 122.5829 53.8729 42.0369 175.4500 100 P 4.7457 0.0000 0.0000 60.7063 33.3382 174.2926 101 E 3.8765 8.1193 117.7342 58.5937 29.4964 176.6822 102 R 5.0863 7.7175 115.8220 54.7187 33.0697 175.3231 103 I 4.2736 8.1624 117.6836 60.0887 37.7504 175.3835 104 D 4.6009 8.7196 127.3966 52.2837 41.3508 176.4627 105 N 3.8933 8.8624 110.6776 54.0407 35.1058 173.2915 106 V 3.8900 6.8466 125.2044 62.7500 37.5097 173.7416 107 L 4.2490 7.9720 121.3900 54.8300 42.6029 176.7249 108 V 4.4083 7.9400 118.8862 60.8623 33.1390 174.7020 109 C 4.1829 9.0931 127.8592 59.2868 32.0571 171.6102 110 P 4.0947 0.0000 0.0000 65.1392 31.3846 175.9019 111 N 4.3983 7.4857 117.6585 52.7990 37.5978 173.8435 112 S 4.2408 8.7203 119.8445 61.2265 62.5384 175.4383 113 N 4.3965 8.1959 116.4148 56.1769 38.9532 175.4179 114 C 4.1779 9.2424 118.2805 57.2113 44.0594 172.6108 115 I 4.2913 8.0597 122.5835 61.0919 37.5752 176.2125 116 S 3.9602 7.6912 111.4816 58.1331 63.6910 173.1848 117 H 4.6009 7.7051 114.8010 57.3878 29.8213 175.5105 118 A 3.9407 8.1318 122.2944 53.4517 18.4662 176.7363 119 E 4.7589 7.9287 114.8863 53.3058 32.4181 175.2581 120 P 4.3717 0.0000 0.0000 64.6543 31.3323 177.3209 121 V 3.7422 7.0774 112.7985 61.7354 32.0143 176.5736 122 S 4.5541 8.2557 118.3491 57.6464 64.9847 173.0448 123 S 4.6857 7.9149 114.4116 56.6389 65.5561 172.6724 124 S 4.7646 6.5638 111.8171 57.7343 64.9230 175.1504 125 F 5.2624 7.9087 126.0672 55.4492 41.9831 174.3723 126 A 4.2737 9.1518 125.8466 51.7700 19.4364 176.6431 127 V 4.1550 8.6944 123.7376 62.2413 32.4784 175.2395 128 R 4.4536 8.1890 124.0862 55.6976 33.5350 173.3190 129 K 4.4913 8.5955 125.9336 54.6224 32.8089 175.2678 130 R 3.9416 8.4514 129.3549 57.0674 31.2505 177.4634 131 A 4.6038 6.5823 117.4185 52.6265 19.2966 178.7496 132 N 4.4936 9.5199 120.9459 55.4145 39.6518 174.2407 133 D 4.9325 7.7242 116.3764 52.3474 44.9743 174.0970 134 I 4.6734 7.4753 119.8494 60.2647 39.6780 174.9905 135 A 4.9434 8.0283 125.1129 50.6950 22.2302 175.7950 136 L 5.0145 9.1071 122.2174 52.2505 44.9679 175.4409 137 K 5.0129 8.4211 121.9903 54.8350 35.0510 174.3946 138 C 4.8464 9.5654 129.6178 58.8839 31.9080 174.0635 139 K 3.9188 8.2016 125.6099 60.3608 31.8243 177.6012 140 Y 4.1667 7.4616 115.8710 60.4625 37.8544 176.9827 141 C 4.6970 7.9510 114.0823 59.3764 42.3949 173.8551 142 E 3.8617 8.1820 114.6383 57.9676 27.8526 176.0072 143 K 4.2174 9.2048 123.5483 56.1945 33.4420 175.9151 144 E 5.2986 8.3086 124.3844 53.6996 28.9781 175.1515 145 F 4.4067 8.3916 122.1070 56.4854 41.1221 175.0838 146 S 4.6488 8.7732 117.0400 58.7764 63.8429 174.8801 147 H 4.2218 9.0988 116.8539 57.3628 28.0538 175.2128 148 N 4.5907 8.3507 116.1468 55.4021 39.9140 177.5012 149 V 3.6196 7.8026 109.5908 63.7680 32.3635 177.1241 150 V 3.7128 7.0945 121.4450 61.1113 29.7577 173.5414 151 L 4.4772 7.0505 119.8146 54.8292 43.8019 176.4863 152 A 4.4761 8.2651 122.6534 50.3477 18.1439 176.6579 153 N 4.5768 8.3045 117.3860 53.2462 37.5535 175.4457 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 *8 Q 8.34 4.19 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.98 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 9 V 7.75 3.31 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 0.83 0.00 0.00 0.92 0.00 0.00 10 E 8.24 4.90 0.00 1.96 1.12 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 2.06 2.10 0.00 11 A 8.70 4.14 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 12 I 7.94 3.92 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.20 0.81 0.00 0.00 13 K 7.45 3.11 0.00 1.33 1.50 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.15 0.53 7.81 14 R 8.25 4.91 0.00 1.86 1.70 0.00 3.48 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 15 G 6.77 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 0.00 0.00 0.00 16 T 6.74 4.46 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 1.10 0.00 0.00 17 V 7.85 4.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.84 0.00 0.00 18 I 8.30 4.67 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.41 0.87 0.00 0.00 19 D 8.57 4.14 0.00 2.65 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 0.00 0.00 0.00 0.00 20 H 9.01 4.53 0.00 3.35 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.56 4.50 1.86 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 1.28 0.89 0.91 0.00 0.00 22 P 0.00 4.22 0.00 2.22 2.05 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 23 A 8.64 4.38 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 24 Q 8.78 3.63 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 25 I 7.93 4.43 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.01 0.98 0.00 0.00 26 G 8.21 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.17 4.27 0.00 3.04 3.12 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 28 K 7.79 3.73 0.00 1.80 1.72 0.00 2.08 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.74 7.81 29 L 7.60 4.12 0.00 1.48 1.36 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.22 4.47 0.00 1.83 1.73 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.01 3.99 0.00 3.74 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 32 L 7.72 3.80 0.00 1.57 1.86 0.79 0.46 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 F 7.02 4.45 0.00 2.89 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 34 K 8.35 4.42 0.00 1.85 1.89 0.00 1.66 0.00 0.00 1.94 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.81 1.44 7.81 35 L 8.11 4.49 0.00 1.63 1.66 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.89 4.37 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 1.18 0.00 0.00 37 E 8.31 3.96 0.00 2.18 2.05 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 2.34 2.41 0.00 38 T 7.77 3.92 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 1.22 0.00 0.00 39 D 8.79 4.40 0.00 2.71 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 40 Q 8.63 3.82 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 41 R 7.30 3.47 0.00 1.86 1.81 0.00 3.10 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 42 I 8.18 4.68 1.86 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 1.31 0.91 0.88 0.00 0.00 43 T 8.40 4.52 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 44 I 8.02 3.73 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.93 0.00 0.00 45 G 8.69 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 46 L 8.05 4.44 0.00 1.70 1.60 1.04 1.23 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 47 N 9.57 4.17 0.00 2.89 2.85 0.00 0.00 6.83 8.26 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 48 L 8.32 4.56 0.00 1.68 1.51 0.91 0.70 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 49 P 0.00 4.35 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 50 S 8.53 4.32 0.00 3.90 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 51 G 8.63 4.40 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 0.00 52 E 7.89 4.16 0.00 1.87 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 2.40 2.40 0.00 53 M 7.73 4.83 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 54 G 8.11 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.06 4.87 0.00 1.90 1.91 0.00 3.11 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 56 K 7.43 4.40 0.00 1.80 1.98 0.00 1.45 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.27 7.81 57 D 8.49 5.31 0.00 2.68 2.54 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 58 L 8.76 5.06 0.00 1.68 1.45 0.90 0.86 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 59 I 8.13 4.61 1.80 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 1.18 0.69 0.84 0.00 0.00 60 K 7.67 4.81 0.00 1.53 1.63 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.39 7.81 61 I 7.67 3.83 1.80 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 1.04 1.30 0.80 0.00 0.00 62 E 8.34 4.38 0.00 2.15 1.73 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 2.31 2.20 0.00 63 N 8.73 3.72 0.00 2.86 2.94 0.00 0.00 6.99 7.18 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 64 T 8.48 4.30 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 1.18 0.00 0.00 65 F 8.67 4.65 0.00 3.00 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 66 L 8.26 4.78 0.00 1.58 1.60 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.09 3.87 0.00 3.86 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 0.00 0.00 0.00 68 E 7.99 4.66 0.00 2.01 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 2.44 2.31 0.00 69 D 8.30 4.40 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.78 5.42 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 71 V 7.40 3.87 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 1.12 0.00 0.00 1.01 0.00 0.00 72 D 7.94 4.61 0.00 2.75 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 73 Q 7.81 4.28 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.77 0.00 74 L 7.87 4.75 0.00 1.87 1.74 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.65 4.45 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.80 3.89 0.00 1.43 1.67 0.72 0.65 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 77 Y 8.05 3.86 0.00 3.19 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 78 A 6.09 4.36 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 79 P 0.00 4.44 0.00 2.19 2.17 0.00 3.35 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 80 Q 7.76 4.43 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 81 A 8.13 4.82 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 82 T 8.72 4.53 4.16 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 1.25 0.00 0.00 83 V 8.17 4.89 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 1.35 0.00 0.00 0.95 0.00 0.00 84 N 7.85 4.82 0.00 2.60 2.75 0.00 0.00 7.13 7.66 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 85 R 7.51 4.04 0.00 1.90 2.05 0.00 3.28 0.00 0.00 3.61 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 86 I 7.59 3.85 1.80 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 1.30 0.76 0.93 0.00 0.00 87 D 8.95 4.81 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.34 4.02 0.00 3.10 2.99 0.00 0.00 7.16 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 89 Y 8.32 3.96 0.00 3.13 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 90 E 7.66 4.67 0.00 1.99 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 2.29 2.39 0.00 91 V 7.90 3.89 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 0.94 0.00 0.00 92 V 8.09 4.56 2.22 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 0.81 0.00 0.00 1.01 0.00 0.00 93 G 7.67 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 0.00 0.00 0.00 0.00 94 K 8.41 4.62 0.00 1.65 1.67 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.47 7.81 95 S 7.83 4.69 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.34 4.61 0.00 1.75 1.83 0.00 3.29 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 97 P 0.00 4.78 0.00 2.24 2.12 0.00 3.69 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 2.12 2.11 0.00 98 S 7.73 4.47 0.00 4.05 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 99 L 8.30 4.23 0.00 1.62 1.61 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.75 0.00 2.20 2.10 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 101 E 8.12 3.88 0.00 2.06 1.87 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 2.41 2.32 0.00 102 R 7.72 5.09 0.00 1.78 1.90 0.00 3.07 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 103 I 8.16 4.27 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 1.01 0.00 0.00 104 D 8.72 4.60 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.86 3.89 0.00 2.86 2.92 0.00 0.00 6.84 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 0.00 106 V 6.85 3.89 2.05 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 0.45 0.00 0.00 1.07 0.00 0.00 107 L 7.97 4.25 0.00 2.09 1.65 1.01 0.88 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 0.00 0.00 0.00 108 V 7.94 4.41 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 0.83 0.00 0.00 0.94 0.00 0.00 109 C 9.09 4.18 0.00 3.46 2.97 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 0.00 110 P 0.00 4.09 0.00 1.21 1.81 0.00 3.64 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.13 0.00 111 N 7.49 4.40 0.00 2.80 2.88 0.00 0.00 6.88 7.63 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 0.00 112 S 8.72 4.24 0.00 3.84 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 0.00 113 N 8.20 4.40 0.00 2.73 2.88 0.00 0.00 6.86 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 0.00 114 C 9.24 4.18 0.00 3.12 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 0.00 115 I 8.06 4.29 1.82 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 1.37 0.73 0.73 0.00 0.00 116 S 7.69 3.96 0.00 3.88 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 0.00 117 H 7.71 4.60 0.00 3.28 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.13 3.94 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 0.00 119 E 7.93 4.76 0.00 1.87 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 0.00 2.16 2.27 0.00 120 P 0.00 4.37 0.00 2.16 2.17 0.00 3.74 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 1.96 1.98 0.00 121 V 7.08 3.74 2.04 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 0.62 0.00 0.00 0.72 0.00 0.00 122 S 8.26 4.55 0.00 3.87 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 0.00 123 S 7.91 4.69 0.00 3.68 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 0.00 124 S 6.56 4.76 0.00 3.72 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 0.00 125 F 7.91 5.26 0.00 3.10 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 0.00 126 A 9.15 4.27 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 0.00 127 V 8.69 4.15 2.51 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 0.76 0.00 0.00 1.04 0.00 0.00 128 R 8.19 4.45 0.00 1.89 1.69 0.00 3.21 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 129 K 8.60 4.49 0.00 1.73 1.70 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.32 7.81 130 R 8.45 3.94 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 131 A 6.58 4.60 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 0.00 132 N 9.52 4.49 0.00 2.72 2.89 0.00 0.00 6.58 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 0.00 133 D 7.72 4.93 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 134 I 7.48 4.67 1.71 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.17 0.93 0.00 0.00 135 A 8.03 4.94 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 0.00 136 L 9.11 5.01 0.00 1.55 1.68 0.88 0.72 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 0.00 137 K 8.42 5.01 0.00 2.13 1.69 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.53 7.81 138 C 9.57 4.85 0.00 3.56 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 0.00 139 K 8.20 3.92 0.00 1.78 1.79 0.00 1.38 0.00 0.00 1.45 0.00 0.00 2.52 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.87 0.68 7.81 140 Y 7.46 4.17 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.95 4.70 0.00 3.24 3.38 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 0.00 142 E 8.18 3.86 0.00 2.07 2.31 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 2.27 2.40 0.00 143 K 9.20 4.22 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.85 1.72 7.81 144 E 8.31 5.30 0.00 1.95 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 2.17 2.33 0.00 145 F 8.39 4.41 0.00 2.98 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 0.00 146 S 8.77 4.65 0.00 3.83 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 0.00 147 H 9.10 4.22 0.00 3.09 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.35 4.59 0.00 2.74 2.80 0.00 0.00 6.97 7.83 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 0.00 149 V 7.80 3.62 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 0.72 0.00 0.00 1.13 0.00 0.00 150 V 7.09 3.71 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 0.08 0.00 0.00 0.75 0.00 0.00 151 L 7.05 4.48 0.00 1.71 1.55 0.91 0.53 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 0.00 152 A 8.27 4.48 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 0.00 153 N 8.30 4.58 0.00 2.81 2.76 0.00 0.00 6.15 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.