NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2204 8.1693 120.6218 54.5704 43.2790 177.2413 3 D 4.5028 8.1731 123.1876 51.7751 42.2541 175.4960 4 Q 3.8980 8.5719 118.9702 59.3755 29.4488 178.6585 5 Q 3.9372 8.0376 120.1339 59.4515 29.0630 178.4340 6 T 3.7670 10.0163 116.6016 66.7402 68.4630 176.5913 7 I 3.5951 7.5293 121.5001 64.5100 37.0783 178.1658 8 N 4.2839 8.3414 117.4214 56.4892 38.4356 177.5220 9 I 3.7251 7.7764 121.1478 64.3083 37.0517 178.5766 10 I 3.2173 7.5448 120.5911 64.2186 36.6528 178.5679 11 K 3.9320 8.0174 117.9968 59.5292 31.9312 178.9819 12 A 4.1848 7.9778 120.4049 54.6484 18.6262 178.9125 13 T 4.4223 8.1007 107.5641 63.0579 69.6942 177.2733 14 V 3.8929 8.3664 122.8860 64.9126 31.2894 176.7000 15 P 4.2701 0.0000 0.0000 65.0149 31.0619 178.7724 16 V 3.6401 7.7952 117.0022 65.7979 31.3012 177.9293 17 L 3.9078 7.7604 118.1259 57.6529 41.6831 179.3414 18 K 4.1103 8.3071 118.6450 59.1498 31.7023 179.0217 19 E 3.9452 7.9034 118.8028 58.7975 29.8515 177.5762 20 H 5.0017 7.7450 115.4048 55.4675 29.8982 177.3306 21 G 3.8052 7.8249 110.8890 48.2336 0.0000 176.3267 22 V 3.7544 7.8165 121.1311 64.8757 31.1780 178.5016 23 T 3.9112 7.8122 115.7690 66.3101 68.3866 176.7262 24 I 3.6652 7.5844 121.2298 64.6651 37.2100 178.6463 25 T 3.9727 8.3717 117.1547 66.9485 68.3405 176.9365 26 T 4.0623 8.1539 111.7522 65.1615 68.8834 176.8907 27 T 3.8716 8.2778 118.9133 66.0390 68.4058 176.3840 28 F 3.9686 8.5678 123.0243 61.6785 39.4420 176.8802 29 Y 3.1924 7.8638 116.0284 60.3937 37.7169 178.5905 30 K 3.9259 8.1391 120.5934 59.6511 32.3714 178.6836 31 N 4.2174 8.0259 116.7541 55.9925 38.4197 176.9011 32 L 3.5460 7.4725 122.0349 58.3729 41.7692 179.3048 33 F 4.5092 7.2464 115.8051 60.1789 38.8468 177.5611 34 A 4.1282 7.6882 119.5768 55.2346 18.4279 179.5715 35 K 4.0773 7.9085 114.7467 57.9897 33.7806 177.1936 36 H 5.0740 8.0379 115.1218 51.4040 29.4570 172.3674 37 P 4.4785 0.0000 0.0000 65.7692 31.4516 178.1919 38 E 4.0959 8.3519 115.7441 59.0074 29.3942 178.6159 39 V 4.2118 8.0346 111.8654 61.9400 31.8613 177.9706 40 R 3.9382 7.9315 119.1487 59.1568 29.7513 176.9292 41 P 4.3030 0.0000 0.0000 65.5607 31.3533 178.3433 42 L 4.1163 7.8704 117.2293 58.8509 41.9890 178.2435 43 F 4.4361 8.0911 123.5572 57.3768 38.9708 176.1388 *51 L 4.2342 8.4275 122.1272 55.7444 43.3385 176.7076 52 E 4.2245 8.0140 117.2280 55.8051 28.1790 175.5704 53 Q 4.6281 8.0326 121.8528 52.8447 32.3285 174.1391 54 P 4.5420 0.0000 0.0000 62.7629 32.2143 176.3673 55 K 4.4001 8.2111 115.4092 55.2395 35.4452 177.5759 56 A 4.3879 8.1049 119.7446 52.8164 18.8789 178.5333 57 L 3.8417 8.2690 119.6390 58.3605 42.1389 178.9385 58 A 3.7026 7.6854 119.7747 55.4212 18.3032 179.3769 59 M 4.0907 7.9641 116.5906 58.5475 32.0195 178.9874 60 T 3.9314 8.1342 116.3675 66.5068 68.5594 176.8862 61 V 3.6873 7.8107 120.2318 66.0260 31.4877 178.1225 62 L 4.2069 8.1063 118.5863 57.7388 41.2041 179.3452 63 A 4.0271 8.1680 120.0873 54.9553 18.5188 179.2145 64 A 4.1275 8.3453 119.2963 55.4431 18.3194 179.7639 65 A 3.9321 8.3674 118.3466 55.3221 18.5266 179.3534 66 Q 4.1587 8.4802 117.5641 58.1312 29.5314 176.2823 67 N 5.0810 8.2539 118.2804 52.4146 39.4289 176.3359 68 I 3.6312 7.9264 119.6556 63.6969 38.3671 176.1265 69 E 4.2535 8.0097 117.8376 57.4837 30.4919 175.9058 70 N 4.9995 8.0690 117.1259 51.5933 38.9425 174.6120 71 L 4.0823 7.7492 121.6080 56.9616 42.8088 178.2323 72 P 4.2322 0.0000 0.0000 65.0638 31.4577 178.2311 73 A 4.0157 8.0152 120.9528 54.4883 18.4239 178.5872 74 I 4.2638 7.7699 108.5352 60.9860 37.9242 177.3393 75 L 3.8163 7.7092 122.8775 58.0503 41.4645 177.5884 76 P 4.2809 0.0000 0.0000 65.3697 31.1667 178.5701 77 A 4.0035 7.8390 119.2068 55.0044 18.4511 179.5030 78 V 3.2261 7.8798 117.0520 66.0929 31.0435 178.2173 79 K 3.8220 8.4553 118.3363 59.5418 31.3366 179.4541 80 K 4.0611 7.5521 117.9020 59.2733 31.9829 179.4559 81 I 3.7258 8.0555 120.0893 64.4249 37.0402 177.9866 82 A 4.3109 8.3007 123.2671 54.6965 18.0831 179.8288 83 V 3.5008 7.3766 115.1134 66.1601 31.6333 178.4941 84 K 4.0516 7.7100 117.2148 59.5308 31.8417 179.2236 85 H 4.2513 8.4304 116.7293 59.2690 28.2502 177.6406 86 C 4.2571 8.3178 120.2209 62.2768 27.5958 176.0690 87 Q 4.0563 7.9568 120.1928 58.8624 28.7270 177.5494 88 A 4.2785 7.8466 120.3661 52.5882 18.8219 177.6797 89 G 3.8952 7.8171 104.0850 45.9448 0.0000 173.9784 90 V 3.7353 7.8222 119.4149 62.2703 32.2348 175.0685 91 A 4.9441 8.6762 128.7641 49.9660 21.8973 176.8046 92 A 4.1961 8.8464 121.2850 55.5874 18.1241 180.0376 93 A 4.2044 7.9557 116.7559 54.7117 18.8598 178.9383 94 H 4.3851 8.4094 115.3641 58.8534 28.6768 177.2203 95 Y 4.2806 8.1891 118.4873 60.8033 37.5858 177.0348 96 P 4.4691 0.0000 0.0000 65.5649 31.4847 178.7637 97 I 3.6429 7.7305 118.3591 64.2565 37.1059 178.4498 98 V 3.7434 7.7572 118.8923 65.9333 31.2846 178.3399 99 G 2.7133 8.0781 105.4954 47.3844 0.0000 175.6712 100 Q 3.9591 8.1860 120.7205 58.9679 28.7416 178.9195 101 E 3.9818 8.1473 119.5157 58.9161 29.3834 179.1182 102 L 3.9117 8.4756 120.9692 58.1851 42.1265 179.0403 103 L 4.0637 8.1808 119.4338 57.7100 41.5411 179.7964 104 G 3.5493 8.1637 105.4869 47.6048 0.0000 175.5503 105 A 3.9834 8.1364 123.2935 55.1184 18.3436 179.7877 106 I 3.4980 8.0251 118.6593 64.2188 37.1572 178.6883 107 K 3.9046 8.0567 120.5743 59.4466 31.8403 178.7800 108 E 3.9277 7.9261 117.7499 59.3837 29.4542 179.3145 109 V 3.6414 7.4020 116.8932 66.0376 32.0913 177.9356 110 L 4.0801 8.3513 119.0297 55.5227 41.7472 178.6123 111 G 3.7546 8.4501 107.5991 46.1567 0.0000 176.0580 112 D 4.3763 9.0558 121.6558 57.2846 40.6115 177.4220 113 A 4.0969 7.7608 119.1122 53.6026 18.9987 177.8734 114 A 4.3793 7.9213 121.3498 51.6726 16.8847 177.8775 115 T 4.1391 7.4461 114.3299 61.2151 71.3880 175.0073 116 D 4.3422 8.5285 121.3798 57.7285 40.9717 178.5257 117 D 4.3981 8.1925 118.8161 57.6242 40.8526 178.9157 118 I 3.7881 7.6591 119.4654 64.5383 37.1005 178.4266 119 L 4.1681 8.1589 119.6876 58.1591 41.3936 179.4735 120 D 4.4265 8.8640 118.8280 56.9546 40.6155 178.6612 121 A 3.8978 8.6180 121.8844 55.0531 18.3414 179.7408 122 W 4.0103 8.3737 117.5730 59.5547 29.0355 178.9469 123 G 3.7710 8.6661 106.1798 47.9187 0.0000 175.8260 124 K 3.9690 8.3861 121.5974 58.9199 32.1006 179.1751 125 A 3.8979 8.2315 121.3708 55.4132 18.1616 179.0186 126 Y 4.1843 8.4592 118.1848 60.6501 38.7727 178.2379 127 G 3.7941 8.0574 106.7144 48.1956 0.0000 175.8029 128 V 3.7005 7.5041 119.7222 65.3153 31.8385 177.9581 129 I 3.8923 7.7161 119.5465 64.1747 37.0087 178.0451 130 A 3.9028 8.3074 122.3187 55.3190 18.1275 179.1460 131 D 4.2675 8.2202 117.5906 57.7181 40.8365 179.5435 132 V 3.5258 7.6483 118.0182 65.8576 31.4464 178.1944 133 F 3.8773 8.0487 117.0623 60.5421 38.7944 177.3908 134 I 3.5626 7.8791 119.8204 64.4835 36.7924 178.5614 135 Q 3.9324 8.0282 118.6499 59.0173 28.6311 178.9305 136 V 3.5261 7.6450 119.2376 66.0506 31.1089 177.9548 137 E 3.8551 8.6730 118.5969 59.0907 29.3131 178.9436 138 A 4.2989 8.3615 121.2060 55.5404 18.3555 179.4913 139 D 4.3506 8.3993 117.3602 57.3054 40.8843 178.8832 140 L 4.0582 7.8017 119.5041 57.5525 41.6853 178.9216 141 Y 4.3209 8.6759 117.1683 60.9157 37.8856 178.4242 142 A 4.0346 8.3507 121.7581 55.4341 18.3728 179.7410 143 Q 4.0149 8.2989 115.2131 58.9531 28.7685 178.8092 144 A 4.2228 7.8749 121.2311 53.9866 18.4313 177.6643 145 V 3.9966 7.6266 120.9475 61.9224 31.6686 175.3608 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 L 8.17 4.22 0.00 1.58 1.62 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.17 4.50 0.00 3.00 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 4 Q 8.57 3.90 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 5 Q 8.04 3.94 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 6 T 10.02 3.77 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 1.09 0.00 0.00 7 I 7.53 3.60 2.04 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 1.45 0.87 0.90 0.00 0.00 8 N 8.34 4.28 0.00 2.89 2.85 0.00 0.00 7.04 7.23 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 9 I 7.78 3.73 1.89 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 1.52 0.96 0.93 0.00 0.00 10 I 7.54 3.22 1.71 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 1.24 0.35 0.47 0.00 0.00 11 K 8.02 3.93 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 12 A 7.98 4.18 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 13 T 8.10 4.42 4.49 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 1.35 0.00 0.00 14 V 8.37 3.89 2.56 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 0.92 0.00 0.00 1.13 0.00 0.00 15 P 0.00 4.27 0.00 2.21 2.16 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 16 V 7.80 3.64 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 1.09 0.00 0.00 0.96 0.00 0.00 17 L 7.76 3.91 0.00 1.62 1.44 -0.52 0.57 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 18 K 8.31 4.11 0.00 1.94 1.85 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.60 7.81 19 E 7.90 3.95 0.00 2.04 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 2.16 2.27 0.00 20 H 7.74 5.00 0.00 3.12 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.82 3.81 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 0.00 0.00 0.00 22 V 7.82 3.75 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 0.90 0.00 0.00 0.95 0.00 0.00 23 T 7.81 3.91 4.32 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 1.18 0.00 0.00 24 I 7.58 3.67 1.93 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 1.42 0.70 0.78 0.00 0.00 25 T 8.37 3.97 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 1.47 0.00 0.00 26 T 8.15 4.06 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 1.29 0.00 0.00 27 T 8.28 3.87 4.30 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 1.22 0.00 0.00 28 F 8.57 3.97 0.00 2.94 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 29 Y 7.86 3.19 0.00 3.07 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 30 K 8.14 3.93 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 31 N 8.03 4.22 0.00 2.65 2.89 0.00 0.00 6.71 6.36 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 32 L 7.47 3.55 0.00 0.45 0.58 0.64 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.25 4.51 0.00 3.05 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 A 7.69 4.13 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 35 K 7.91 4.08 0.00 1.64 1.63 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.39 7.81 36 H 8.04 5.07 0.00 3.25 3.35 0.00 5.65 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 37 P 0.00 4.48 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 38 E 8.35 4.10 0.00 2.21 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 2.45 2.42 0.00 39 V 8.03 4.21 2.25 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 0.84 0.00 0.00 1.23 0.00 0.00 40 R 7.93 3.94 0.00 1.95 1.87 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.91 0.00 41 P 0.00 4.30 0.00 2.04 2.14 0.00 3.71 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 2.07 2.20 0.00 42 L 7.87 4.12 0.00 1.59 1.53 0.82 1.01 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 43 F 8.09 4.44 0.00 3.12 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 *51 L 8.43 4.23 0.00 1.64 1.76 0.91 0.84 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 52 E 8.01 4.22 0.00 1.95 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 2.30 2.32 0.00 53 Q 8.03 4.63 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 54 P 0.00 4.54 0.00 2.19 2.24 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.80 0.00 55 K 8.21 4.40 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.32 7.81 56 A 8.10 4.39 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 57 L 8.27 3.84 0.00 1.82 1.58 -0.05 1.13 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 58 A 7.69 3.70 1.08 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 0.00 0.00 59 M 7.96 4.09 0.00 2.06 2.15 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 2.70 2.59 0.00 60 T 8.13 3.93 4.46 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 1.35 0.00 0.00 61 V 7.81 3.69 2.24 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 1.29 0.00 0.00 1.05 0.00 0.00 62 L 8.11 4.21 0.00 1.94 1.75 0.83 0.62 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 63 A 8.17 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.35 4.13 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 65 A 8.37 3.93 1.55 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 0.00 0.00 66 Q 8.48 4.16 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.36 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 67 N 8.25 5.08 0.00 2.82 2.75 0.00 0.00 6.48 8.07 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 68 I 7.93 3.63 2.05 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 1.27 0.54 0.84 0.00 0.00 69 E 8.01 4.25 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 70 N 8.07 5.00 0.00 2.63 2.62 0.00 0.00 7.03 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 71 L 7.75 4.08 0.00 1.71 1.67 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.23 0.00 2.15 2.07 0.00 3.66 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 2.08 2.05 0.00 73 A 8.02 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.77 4.26 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 0.93 0.00 0.00 75 L 7.71 3.82 0.00 1.75 1.70 0.89 0.72 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 76 P 0.00 4.28 0.00 2.14 2.08 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 77 A 7.84 4.00 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 78 V 7.88 3.23 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 0.36 0.00 0.00 0.54 0.00 0.00 79 K 8.46 3.82 0.00 1.84 1.81 0.00 1.47 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.47 7.81 80 K 7.55 4.06 0.00 1.98 1.86 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 81 I 8.06 3.73 2.24 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.98 0.00 0.00 82 A 8.30 4.31 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 83 V 7.38 3.50 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 1.01 0.00 0.00 0.97 0.00 0.00 84 K 7.71 4.05 0.00 2.04 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.49 7.81 85 H 8.43 4.25 0.00 3.44 3.40 0.00 5.64 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 86 C 8.32 4.26 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 4.06 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 88 A 7.85 4.28 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 89 G 7.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.82 3.74 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 0.69 0.00 0.00 0.72 0.00 0.00 91 A 8.68 4.94 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 92 A 8.85 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.96 4.20 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 94 H 8.41 4.39 0.00 3.32 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.19 4.28 0.00 3.21 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 96 P 0.00 4.47 0.00 2.23 2.18 0.00 3.82 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 97 I 7.73 3.64 1.98 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 1.40 0.53 0.50 0.00 0.00 98 V 7.76 3.74 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 99 G 8.08 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 0.00 0.00 0.00 100 Q 8.19 3.96 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 101 E 8.15 3.98 0.00 1.86 1.72 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 2.33 2.24 0.00 102 L 8.48 3.91 0.00 1.26 1.42 0.53 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.18 4.06 0.00 1.81 1.69 0.98 0.79 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 0.00 104 G 8.16 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 0.00 0.00 0.00 105 A 8.14 3.98 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 0.00 106 I 8.03 3.50 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.54 0.00 0.00 107 K 8.06 3.90 0.00 1.81 2.04 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 108 E 7.93 3.93 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 109 V 7.40 3.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 110 L 8.35 4.08 0.00 1.76 1.77 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.45 3.75 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 0.00 0.00 0.00 112 D 9.06 4.38 0.00 2.67 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 0.00 113 A 7.76 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.92 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.45 4.14 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 1.28 0.00 0.00 116 D 8.53 4.34 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.19 4.40 0.00 2.71 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 0.00 118 I 7.66 3.79 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.96 1.14 0.00 0.00 119 L 8.16 4.17 0.00 1.91 1.78 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.86 4.43 0.00 2.74 2.74 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 0.00 121 A 8.62 3.90 1.22 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 0.00 0.00 0.00 122 W 8.37 4.01 0.00 3.58 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 0.00 123 G 8.67 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 0.00 124 K 8.39 3.97 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 125 A 8.23 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.46 4.18 0.00 3.25 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 0.00 127 G 8.06 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 0.00 128 V 7.50 3.70 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 0.83 0.00 0.00 0.89 0.00 0.00 129 I 7.72 3.89 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 1.08 0.00 0.00 130 A 8.31 3.90 0.94 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 0.00 0.00 131 D 8.22 4.27 0.00 2.77 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 0.00 132 V 7.65 3.53 2.13 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 0.82 0.00 0.00 0.91 0.00 0.00 133 F 8.05 3.88 0.00 3.23 3.20 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 0.00 134 I 7.88 3.56 1.66 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 0.84 -0.30 0.84 0.00 0.00 135 Q 8.03 3.93 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 136 V 7.65 3.53 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.84 0.00 0.00 137 E 8.67 3.86 0.00 2.32 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 2.43 0.00 138 A 8.36 4.30 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 0.00 139 D 8.40 4.35 0.00 2.68 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 0.00 140 L 7.80 4.06 0.00 1.75 1.55 0.99 0.73 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 0.00 141 Y 8.68 4.32 0.00 3.25 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 0.00 142 A 8.35 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.30 4.01 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 144 A 7.87 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.63 4.00 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 0.74 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.