NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3893 8.3044 118.1890 54.8477 32.5769 174.7042 2 V 3.6517 7.9970 120.1039 62.0932 32.4000 172.5317 3 E 4.3744 9.1731 126.3488 55.5477 31.4069 175.8961 4 D 4.5715 8.4568 121.3470 54.9700 42.6052 175.5640 5 I 4.7909 8.6743 121.1451 59.3943 38.8384 174.3352 6 L 5.0071 7.8041 124.3585 52.6053 46.1521 174.7521 7 A 4.0124 7.3183 121.6596 51.7516 21.3766 174.0913 8 P 4.6585 0.0000 0.0000 63.1011 32.4104 177.6179 9 G 4.0167 8.8299 107.1598 45.9108 0.0000 174.0271 10 L 4.1726 7.2233 119.8895 55.0124 42.3875 178.3129 11 R 4.1831 9.0144 121.0707 58.3913 31.7713 176.9627 12 V 4.4725 7.4576 116.9404 61.0292 35.6037 173.9706 13 V 4.6368 8.1217 126.7393 61.0612 34.1168 174.2250 14 F 4.7209 9.5765 129.0632 56.9489 40.4978 174.3081 15 C 5.0798 9.4437 125.6396 57.6919 33.3159 173.6343 16 G 3.8817 9.5014 115.2132 47.0351 0.0000 173.5433 17 I 4.1513 8.6638 123.0196 63.1203 36.5998 177.5397 18 N 4.5543 8.9174 122.2677 52.4345 38.8909 175.1516 19 P 4.3402 0.0000 0.0000 63.1191 31.2858 176.1080 20 G 3.8831 7.1612 106.6959 46.5743 0.0000 172.4109 21 L 4.7620 8.4184 118.6560 54.8735 44.2990 175.5378 22 S 4.3751 8.0556 115.7259 58.4582 62.4911 169.0551 23 S 4.8060 7.7567 115.4558 55.9182 61.3830 174.5154 24 A 5.4470 7.1517 135.0000 53.9341 18.7995 177.6701 25 G 3.9885 7.9794 107.4216 44.4670 0.0000 174.6245 26 T 4.3867 7.8282 105.4843 61.4652 73.4147 174.6328 27 G 3.6506 7.8896 110.1347 44.8926 0.0000 173.2003 28 F 5.2023 7.3439 118.5318 54.5343 41.0651 173.8288 29 P 4.1815 0.0000 0.0000 64.1109 31.9810 176.0011 30 F 3.8573 7.9526 117.6634 58.8388 36.2771 175.8558 31 A 4.6087 8.0360 121.0786 53.1952 20.2423 177.9083 32 H 4.1934 8.3690 116.9178 55.5830 30.2303 174.1309 33 P 4.2645 0.0000 0.0000 65.4210 30.7038 176.5923 34 A 4.5221 8.2640 120.4935 51.8247 19.1237 175.2370 35 N 4.9973 8.2150 116.6727 53.2011 39.9967 174.9624 36 R 4.4096 8.5593 123.8618 56.3485 30.4511 177.8944 37 F 3.6155 8.7566 122.1259 61.2373 38.9769 177.0538 38 W 3.9667 7.4143 117.4142 59.6833 28.8884 178.3243 39 K 3.9708 8.0261 118.7520 59.4521 31.7415 178.7447 40 V 3.2955 8.0269 118.9742 65.9160 31.3992 178.0700 41 I 3.8174 7.3889 113.1978 64.3301 37.1100 176.9757 42 Y 4.2819 7.7750 122.7237 60.0072 38.4007 177.8270 43 Q 3.0751 8.2233 120.0884 58.5897 29.0354 178.5759 44 A 4.1674 8.0915 120.0067 52.5587 18.8398 178.1558 45 G 3.7388 8.3522 106.2391 45.2300 0.0000 174.7146 46 F 4.4078 7.9932 118.9664 59.0250 39.3587 175.4293 47 T 4.2663 7.4652 109.5524 59.7778 71.5910 173.7200 48 D 4.9246 8.6058 119.9893 53.6191 40.2598 175.9583 49 R 3.8711 7.2998 114.7851 54.7248 32.1235 174.4194 50 Q 3.9673 7.4880 119.8751 54.8142 28.2483 175.4266 51 L 4.2215 8.1908 125.4279 54.6560 42.5787 176.5768 52 K 4.1810 8.1962 118.9021 53.6341 34.7695 175.8902 53 P 3.4396 0.0000 0.0000 66.0006 30.9596 179.0127 54 Q 2.0000 7.3558 114.5613 57.4260 28.6385 177.4639 55 E 4.3569 7.8980 119.4084 56.0549 29.7938 177.4413 56 A 4.2297 7.6735 124.9082 55.9373 18.3798 180.6648 57 Q 4.0556 8.2485 115.5505 59.2219 28.8146 178.2054 58 H 4.4921 8.4071 120.4625 58.0586 29.7037 176.9263 59 L 4.3861 8.3839 121.2575 58.1757 41.3029 179.2538 60 L 4.1592 8.1707 118.9976 57.9717 41.0615 179.1573 61 D 3.7589 8.2072 118.4669 56.5438 40.3067 177.4167 62 Y 4.6028 7.8571 115.5663 56.4784 39.2171 175.7021 63 R 3.9585 9.0869 119.1761 57.9254 28.2021 175.3687 64 C 5.3959 8.0756 112.3651 58.0986 32.5277 174.9381 65 G 4.4032 9.3961 108.0590 44.6454 0.0000 171.4630 66 V 5.1867 8.7853 119.3975 61.7101 35.4308 174.4528 67 T 5.0151 9.3472 120.3876 61.9078 71.1550 171.6853 68 K 5.2658 8.3495 119.8612 55.0936 35.7412 176.0257 69 L 4.5207 9.2184 122.2818 56.0216 41.6317 176.2279 70 V 4.7031 7.5609 118.4050 61.6591 34.8949 174.9423 71 D 4.7398 9.2908 126.7483 49.9626 38.9415 173.5791 72 R 4.3376 9.3358 117.0831 55.8628 31.3476 173.6889 73 P 3.8258 0.0000 0.0000 62.5403 31.6808 172.0058 *78 N 4.6682 9.0505 117.8262 52.6378 37.8682 176.9149 79 E 4.2812 5.9000 118.7887 56.8869 31.2320 177.0866 80 V 4.9919 7.1129 122.6041 62.3710 31.4004 170.0728 81 S 4.8076 7.2383 122.2407 57.5200 65.5573 176.7113 82 K 4.7985 8.5160 122.9551 59.7121 31.2039 177.9763 83 Q 3.7478 8.2466 115.9807 60.2092 28.7256 179.2766 84 E 4.1227 9.2346 120.0048 58.5403 29.7533 179.5364 85 L 3.9854 7.6550 119.4575 57.9865 41.8849 178.7738 86 H 4.2151 8.6437 116.3703 58.5237 28.7509 177.6636 87 A 4.0332 7.7679 122.1979 55.1779 18.2357 179.8883 88 G 4.1636 7.4745 105.6015 47.4253 0.0000 175.7839 89 G 3.5189 8.1022 110.0112 46.9021 0.0000 175.4615 90 R 3.8622 7.7578 120.4415 59.0827 30.1867 179.1019 91 K 3.8899 7.9473 117.3826 59.4973 32.0925 179.0104 92 L 3.9289 8.2888 120.7758 58.4224 42.0071 178.8871 93 I 3.8013 8.3795 119.9074 64.5988 36.9783 178.1373 94 E 4.1306 8.1203 118.9611 59.5199 29.3834 179.4985 95 K 3.9844 7.9811 118.1504 59.8071 32.1961 179.5508 96 I 3.9352 8.0777 119.8012 64.2491 36.7360 178.3403 97 E 4.0844 8.3355 119.4180 59.6538 29.3281 177.8059 98 D 4.2330 8.1155 118.4349 56.9956 41.2695 177.0845 99 Y 4.2815 8.5968 120.0978 59.1729 39.5222 177.7001 100 Q 3.7569 7.6976 111.3396 57.3586 26.4943 172.8356 101 P 4.6712 0.0000 0.0000 62.5579 33.3347 177.1789 102 Q 4.3068 8.6908 116.8426 58.8830 29.5438 176.9406 103 A 5.1148 8.0476 118.7420 50.3839 23.4087 174.8366 104 L 5.0786 8.9847 121.7983 53.0657 45.2594 175.0096 105 A 5.1870 8.6740 127.4873 50.2593 21.7903 174.7390 106 I 4.6551 9.2432 125.0147 59.6314 38.8279 176.7969 107 L 5.2805 7.9362 130.9577 50.9504 39.4806 177.0502 108 G 4.8150 7.6488 117.6563 44.6838 0.0000 171.2884 109 K 3.6654 8.1155 126.6979 59.5462 32.2817 178.9759 110 Q 4.6833 8.2654 118.8573 58.4063 28.7376 178.8456 111 A 4.0334 8.0220 121.4780 55.1303 18.5079 178.9670 112 Y 4.2592 7.9719 117.6581 60.8905 39.0758 177.4033 113 E 3.8368 8.6411 120.0495 60.5795 29.4144 178.7254 114 Q 4.2148 8.7285 118.8371 56.7519 28.4553 178.5234 115 G 3.4519 8.0604 110.7875 48.3377 0.0000 174.6008 116 F 4.5684 7.9330 116.0870 56.1745 39.4644 175.4445 117 S 3.6547 8.4857 116.1435 59.8993 60.7633 171.7857 118 Q 4.5731 7.8770 119.5856 55.1564 31.2577 176.0998 119 R 4.5495 8.0797 115.5327 56.2163 33.0122 173.6077 120 G 3.9277 8.8511 106.3568 46.3691 0.0000 173.9120 121 A 4.1056 7.7764 121.7816 51.9110 18.8948 178.0826 122 Q 4.4890 8.0183 119.6843 53.2450 31.4638 175.8649 123 W 4.4367 8.0813 119.7944 57.9713 30.3800 176.9280 124 G 3.9403 9.0915 105.3058 44.1824 0.0000 172.6908 125 K 2.8338 7.5578 122.2248 55.8412 32.6759 177.2191 126 Q 4.4317 7.8121 124.9303 54.4152 30.9968 175.6317 127 T 4.1200 8.0595 108.5956 63.2267 69.7777 175.5773 128 L 4.0993 7.6624 122.7248 55.4186 42.5704 175.3235 129 T 4.7365 7.9720 112.2611 60.5665 72.0005 173.7326 130 I 4.4348 8.0023 121.5045 59.8407 38.9864 176.7215 131 G 3.8761 8.2821 118.4161 46.7888 0.0000 174.2391 132 S 4.3824 8.8180 117.2240 59.8798 63.9484 175.1025 133 T 4.2724 7.6464 119.0604 64.2469 69.1739 174.0221 134 Q 4.7193 8.8860 124.8977 55.4398 31.0731 174.6800 135 I 4.9377 8.1634 121.0242 59.4451 40.3170 174.6864 136 W 5.0915 9.6273 126.4718 54.7488 33.1772 174.4972 137 V 4.6117 8.7829 124.3270 61.3656 32.8777 174.3485 138 L 5.3132 8.9883 128.3840 51.8537 45.3949 174.3467 139 P 4.6448 0.0000 0.0000 62.4233 31.8259 175.8445 140 N 4.5707 9.0442 122.6301 53.3391 39.6467 172.8407 141 P 4.4234 0.0000 0.0000 63.5510 32.6301 175.8720 142 S 4.3862 8.1633 114.5198 58.3150 62.8034 175.1007 143 G 3.8539 8.4882 112.2365 46.9170 0.0000 174.3367 144 L 4.2512 8.1565 119.0658 54.8819 42.2692 176.5640 145 S 4.4421 7.7786 115.2381 57.1735 61.8785 174.6550 146 R 4.0522 8.5981 125.4570 57.2612 29.7796 177.3575 147 V 3.7253 7.4900 119.4160 62.5488 32.2797 176.5353 148 S 4.4019 8.3505 121.4618 57.6659 65.2327 174.8172 149 L 3.8293 8.4843 124.9541 58.5419 41.5900 179.0845 150 E 3.8229 8.0327 118.3322 59.3131 29.7081 178.5269 151 K 3.8174 7.8822 119.3553 59.2078 32.0506 178.4919 152 L 3.8583 7.7912 120.6649 58.1609 42.0782 179.0587 153 V 3.4198 7.8429 118.4035 65.9966 31.4474 177.5660 154 E 3.9659 8.4939 119.0607 59.0463 29.3913 178.7615 155 A 4.0368 8.0137 120.8987 55.5403 18.5616 179.3231 156 Y 4.1305 8.6798 115.5263 60.9747 37.8687 178.3312 157 R 3.8851 8.5491 120.2434 59.5921 30.0355 178.0953 158 E 3.9417 7.9669 117.6545 59.4461 29.4674 179.0532 159 L 2.5276 7.2250 118.5019 57.8755 41.8151 178.3026 160 D 4.0859 7.6966 116.2248 57.4291 40.9670 178.1639 161 Q 4.0077 8.0224 117.2002 59.0523 28.8827 178.2798 162 A 4.1937 7.9965 120.4847 54.3144 19.6825 178.8533 163 L 4.4493 7.2232 118.9145 53.0529 38.5485 176.9813 164 V 3.9895 7.2100 121.3757 63.1176 31.6957 174.1738 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 1 M 8.30 4.39 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 2 V 8.00 3.65 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 0.87 0.00 0.00 0.88 0.00 0.00 3 E 9.17 4.37 0.00 2.01 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 2.28 2.27 0.00 4 D 8.46 4.57 0.00 2.66 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 5 I 8.67 4.79 1.98 0.00 0.00 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 1.54 0.84 1.02 0.00 0.00 6 L 7.80 5.01 0.00 0.95 0.52 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.32 4.01 1.17 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 0.00 0.00 0.00 8 P 0.00 4.66 0.00 2.27 2.07 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 9 G 8.83 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 10 L 7.22 4.17 0.00 1.58 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.01 4.18 0.00 1.84 1.99 0.00 3.17 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 12 V 7.46 4.47 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 -0.52 0.00 0.00 0.73 0.00 0.00 13 V 8.12 4.64 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 0.94 0.00 0.00 0.90 0.00 0.00 14 F 9.58 4.72 0.00 3.07 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 15 C 9.44 5.08 0.00 3.03 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 16 G 9.50 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 0.00 0.00 0.00 17 I 8.66 4.15 1.91 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 1.48 0.93 0.95 0.00 0.00 18 N 8.92 4.55 0.00 2.85 2.93 0.00 0.00 5.95 7.76 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 19 P 0.00 4.34 0.00 2.03 2.10 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.38 0.00 20 G 7.16 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 0.00 0.00 0.00 21 L 8.42 4.76 0.00 1.61 1.63 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.06 4.38 0.00 4.06 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 23 S 7.76 4.81 0.00 4.09 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 24 A 7.15 5.45 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 25 G 7.98 3.99 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 0.00 0.00 0.00 26 T 7.83 4.39 4.39 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 1.29 0.00 0.00 27 G 7.89 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 28 F 7.34 5.20 0.00 3.18 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 P 0.00 4.18 0.00 2.30 2.06 0.00 4.39 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.30 0.00 30 F 7.95 3.86 0.00 3.22 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.04 4.61 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.37 4.19 0.00 3.25 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.26 0.00 2.21 2.19 0.00 3.49 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 1.80 1.90 0.00 34 A 8.26 4.52 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 35 N 8.21 5.00 0.00 2.88 3.05 0.00 0.00 7.07 6.96 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 36 R 8.56 4.41 0.00 1.91 1.82 0.00 3.14 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 37 F 8.76 3.62 0.00 2.04 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 0.00 0.00 0.00 0.00 38 W 7.41 3.97 0.00 3.41 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 39 K 8.03 3.97 0.00 1.85 1.91 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 40 V 8.03 3.30 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.63 0.00 0.00 41 I 7.39 3.82 1.59 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.38 -0.42 0.00 0.00 42 Y 7.77 4.28 0.00 3.10 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 43 Q 8.22 3.08 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.07 2.53 0.00 44 A 8.09 4.17 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 45 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.99 4.41 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.47 4.27 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 0.82 0.00 0.00 48 D 8.61 4.92 0.00 2.93 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 49 R 7.30 3.87 0.00 1.63 1.79 0.00 2.93 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 50 Q 7.49 3.97 0.00 1.61 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 51 L 8.19 4.22 0.00 1.56 1.23 1.10 0.92 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 52 K 8.20 4.18 0.00 1.42 1.59 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.14 1.15 7.81 53 P 0.00 3.44 0.00 2.03 2.27 0.00 3.29 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 54 Q 7.36 2.00 0.00 1.62 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.42 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 55 E 7.90 4.36 0.00 1.73 1.78 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 2.04 2.14 0.00 56 A 7.67 4.23 1.70 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 0.00 0.00 57 Q 8.25 4.06 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 58 H 8.41 4.49 0.00 3.32 3.52 0.00 5.84 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 59 L 8.38 4.39 0.00 2.13 2.13 1.43 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.17 4.16 0.00 1.84 1.74 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.21 3.76 0.00 2.35 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 0.00 0.00 0.00 0.00 62 Y 7.86 4.60 0.00 3.12 3.19 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 0.00 0.00 0.00 0.00 63 R 9.09 3.96 0.00 2.01 2.02 0.00 3.27 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 64 C 8.08 5.40 0.00 3.16 3.03 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 65 G 9.40 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 66 V 8.79 5.19 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 1.14 0.00 0.00 1.20 0.00 0.00 67 T 9.35 5.02 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 1.27 0.00 0.00 68 K 8.35 5.27 0.00 1.85 1.64 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.64 7.81 69 L 9.22 4.52 0.00 1.72 2.01 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.56 4.70 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 0.87 0.00 0.00 0.95 0.00 0.00 71 D 9.29 4.74 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.34 4.34 0.00 1.95 1.94 0.00 3.41 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.00 73 P 0.00 3.83 0.00 2.10 2.01 0.00 3.67 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 1.94 2.04 0.00 *78 N 9.05 4.67 0.00 2.86 2.63 0.00 0.00 6.22 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 79 E 5.90 4.28 0.00 1.93 1.98 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 2.35 2.25 0.00 80 V 7.11 4.99 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 0.62 0.00 0.00 0.94 0.00 0.00 81 S 7.24 4.81 0.00 3.97 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 82 K 8.52 4.80 0.00 1.92 1.83 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.79 7.81 83 Q 8.25 3.75 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 84 E 9.23 4.12 0.00 2.00 1.98 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 2.32 2.38 0.00 85 L 7.66 3.99 0.00 1.75 1.72 0.96 1.15 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 86 H 8.64 4.22 0.00 3.08 3.29 0.00 5.62 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 87 A 7.77 4.03 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 88 G 7.47 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 0.00 0.00 0.00 0.00 89 G 8.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 3.86 0.00 2.01 1.94 0.00 3.23 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 91 K 7.95 3.89 0.00 1.82 1.87 0.00 1.99 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.65 7.81 92 L 8.29 3.93 0.00 1.78 1.79 1.01 1.20 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 93 I 8.38 3.80 1.88 0.00 0.00 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 1.61 0.63 1.01 0.00 0.00 94 E 8.12 4.13 0.00 2.22 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 0.00 2.33 2.58 0.00 95 K 7.98 3.98 0.00 2.12 2.05 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.73 7.81 96 I 8.08 3.94 2.09 0.00 0.00 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 1.82 1.28 0.99 0.00 0.00 97 E 8.34 4.08 0.00 2.12 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 2.37 2.49 0.00 98 D 8.12 4.23 0.00 2.59 2.44 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 99 Y 8.60 4.28 0.00 3.04 3.17 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 0.00 100 Q 7.70 3.76 0.00 2.28 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 101 P 0.00 4.67 0.00 2.19 2.14 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 102 Q 8.69 4.31 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 103 A 8.05 5.11 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 0.00 104 L 8.98 5.08 0.00 1.78 1.52 1.04 1.15 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 0.00 105 A 8.67 5.19 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 0.00 106 I 9.24 4.66 1.95 0.00 0.00 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 1.37 1.12 1.14 0.00 0.00 107 L 7.94 5.28 0.00 1.70 1.81 1.03 0.82 0.00 0.00 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4.03 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 0.00 133 T 7.65 4.27 4.42 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 1.30 0.00 0.00 134 Q 8.89 4.72 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 135 I 8.16 4.94 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.62 0.00 0.00 136 W 9.63 5.09 0.00 3.11 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 0.00 137 V 8.78 4.61 1.83 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 0.91 0.00 0.00 0.04 0.00 0.00 138 L 8.99 5.31 0.00 1.38 1.07 0.31 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.64 0.00 1.87 1.16 0.00 3.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.50 0.00 140 N 9.04 4.57 0.00 3.08 2.88 0.00 0.00 7.15 7.69 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 0.00 141 P 0.00 4.42 0.00 2.52 2.13 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 142 S 8.16 4.39 0.00 3.93 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 0.00 143 G 8.49 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 0.00 144 L 8.16 4.25 0.00 1.62 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.78 4.44 0.00 3.94 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 0.00 146 R 8.60 4.05 0.00 1.87 1.98 0.00 3.28 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 147 V 7.49 3.73 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 0.65 0.00 0.00 0.90 0.00 0.00 148 S 8.35 4.40 0.00 4.06 3.95 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 0.00 149 L 8.48 3.83 0.00 1.73 1.68 0.82 0.76 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 0.00 150 E 8.03 3.82 0.00 2.03 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 2.34 2.33 0.00 151 K 7.88 3.82 0.00 1.84 1.84 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.26 1.33 7.81 152 L 7.79 3.86 0.00 1.99 1.51 1.00 0.54 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 0.00 153 V 7.84 3.42 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 0.83 0.00 0.00 0.81 0.00 0.00 154 E 8.49 3.97 0.00 2.15 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 0.00 2.31 2.32 0.00 155 A 8.01 4.04 1.47 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 0.00 0.00 0.00 0.00 0.00 156 Y 8.68 4.13 0.00 3.03 3.39 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 0.00 157 R 8.55 3.89 0.00 2.01 1.90 0.00 3.01 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 1.53 1.71 0.00 158 E 7.97 3.94 0.00 2.34 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 0.00 2.38 2.72 0.00 159 L 7.23 2.53 0.00 1.03 1.73 -0.39 0.69 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 0.00 160 D 7.70 4.09 0.00 1.58 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 0.00 0.00 0.00 0.00 161 Q 8.02 4.01 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 162 A 8.00 4.19 1.50 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 0.00 0.00 163 L 7.22 4.45 0.00 1.59 1.64 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.21 3.99 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 0.74 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.