NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4654 8.0427 122.7930 54.4247 44.6307 175.7683 2 K 5.0262 9.4664 120.6675 54.1790 35.8962 172.8718 3 I 5.3422 9.6814 128.6322 59.9530 41.1543 174.1020 4 T 5.1906 9.8897 123.6499 61.8634 72.4481 173.0278 5 I 4.8483 9.1240 127.2980 59.8639 39.1879 174.5967 6 L 5.1461 9.0953 131.2257 53.4352 43.5208 174.9230 7 A 5.2326 8.8221 128.2563 50.0141 22.6048 174.6289 8 V 4.2400 8.2754 121.3135 62.9730 32.4528 176.5750 9 G 3.8071 9.4801 118.7459 46.2814 0.0000 174.0937 10 K 4.7178 8.2021 123.8909 53.4807 33.1596 174.3631 11 L 4.9371 8.3791 118.4597 54.7137 43.2155 176.8911 12 K 4.5810 8.1724 116.6098 55.6365 36.3533 176.7536 13 E 3.9334 8.2110 119.9563 55.7064 30.4362 177.3842 14 K 3.9087 8.6428 124.6765 60.3581 32.4999 178.6599 15 Y 4.1970 7.3750 118.1657 59.2620 38.1396 177.8179 16 W 4.6035 7.1462 120.2590 59.7023 29.2488 178.0148 17 K 3.8996 8.0656 118.4610 60.0175 31.5885 179.2239 18 Q 3.9757 8.0373 117.1070 58.9700 28.5799 178.8526 19 A 4.0182 8.1645 121.7952 55.2616 18.4560 179.8141 20 I 3.8700 8.4827 118.6090 64.3048 37.0459 178.5457 21 A 4.3737 8.1729 123.4466 54.3269 18.1636 179.1676 22 E 3.6784 8.0705 117.9639 59.7859 29.6594 178.7459 23 Y 4.0979 7.5566 115.8904 60.3445 37.7839 177.8748 24 E 3.9668 8.1964 119.9823 59.4285 29.6159 179.4855 25 K 3.9828 8.2467 118.6303 59.6115 31.9554 179.7324 26 R 4.0595 7.6923 116.5765 58.4263 30.1304 178.2273 27 L 4.6693 8.1136 118.2449 55.5816 41.7821 178.5951 28 G 3.9158 7.8439 106.7404 47.9066 0.0000 173.7264 29 P 4.0731 0.0000 0.0000 64.6649 31.3022 177.3594 30 Y 4.2951 7.4217 113.4216 57.9609 38.8006 175.1281 31 T 4.1540 6.4066 111.7093 61.0721 71.5474 172.3648 32 K 4.3029 8.4415 127.4996 56.1178 33.5485 175.3639 33 I 5.1998 8.3407 126.6036 59.2844 40.8335 173.7507 34 D 4.9605 9.2655 128.1470 52.5088 44.8142 173.9465 35 I 5.0626 8.5223 125.3710 59.6550 40.0113 174.6750 36 I 4.5151 9.1908 128.4371 59.4769 39.8257 174.3640 37 E 5.1073 8.8619 126.4944 54.8241 31.2207 175.5970 38 V 4.4497 8.4848 118.3520 58.5845 34.2515 173.7945 39 P 4.6617 0.0000 0.0000 62.8462 31.8028 176.0741 40 D 4.4846 8.5794 122.4377 52.9934 40.3295 175.2484 41 E 4.3072 8.4235 122.0254 55.1452 30.5428 176.3136 42 K 4.2297 8.4664 125.3464 56.1403 33.0104 175.8549 43 A 4.7794 8.0068 123.2758 49.5006 21.8327 173.4479 44 P 4.0822 0.0000 0.0000 64.6776 31.9474 177.1686 *48 S 4.2391 7.9825 111.5145 58.8891 64.4446 174.6504 49 D 4.4803 8.8958 133.5792 59.2444 39.3453 176.4333 50 K 4.1737 7.9735 124.2699 59.9589 31.7347 181.0385 51 E 4.2100 8.1558 119.6801 59.1411 29.3166 179.4448 52 I 3.7409 7.9940 120.1468 64.0695 37.0492 178.0084 53 E 3.9580 8.0478 120.0834 59.4291 29.5757 178.9608 54 Q 3.9616 7.8615 117.6149 59.2218 28.5457 178.7584 55 V 3.6316 7.5647 120.1326 65.6879 31.5052 178.2305 56 K 4.0456 8.3170 118.5128 59.2755 31.8672 179.0230 57 E 3.5695 8.8571 120.1932 58.9326 29.4728 179.0903 58 K 3.9599 8.0088 118.7007 59.3867 32.2781 179.0098 59 E 4.0612 8.2001 119.6211 59.1974 29.5261 179.1186 60 G 3.6654 8.4187 106.1290 47.5560 0.0000 175.8590 61 Q 4.0235 8.0404 120.5184 59.0045 28.5061 178.8887 62 R 4.0267 7.6755 117.6722 58.8305 30.3938 179.0202 63 I 3.9164 7.5292 119.5745 64.4164 37.1470 178.3651 64 L 4.0257 8.1177 119.5713 57.6721 41.1565 179.4204 65 A 4.0004 7.7188 119.6099 54.4909 18.3332 178.7634 66 K 4.5019 7.6113 114.2830 55.4983 32.4600 176.4347 67 I 4.3571 7.3135 121.6580 58.9964 38.1863 175.9003 68 K 4.1782 8.3770 125.2904 55.7035 32.5854 176.7324 69 P 4.2729 0.0000 0.0000 65.5600 31.5296 178.1140 70 Q 4.1040 7.9278 116.1636 58.2135 29.0761 176.7260 71 S 4.1745 7.4046 113.7491 59.3374 63.6874 174.8146 72 T 4.1238 8.3393 121.5029 63.4652 69.3040 173.6309 73 V 4.5959 9.4707 128.2279 61.3819 33.6420 174.5673 74 I 5.1237 9.1170 129.6728 59.8243 39.7382 174.4823 75 T 4.8612 8.7764 118.7107 60.3016 70.7909 174.1436 76 L 4.8823 8.6776 126.5561 54.4162 42.2397 176.3621 77 E 4.6341 9.0469 123.8770 54.4265 32.8032 177.2678 78 I 3.3260 8.7920 125.6978 64.4766 37.3420 177.0711 79 Q 4.1600 8.0055 116.5651 56.7627 29.0399 176.3937 80 G 3.8845 8.2710 106.5156 45.4686 0.0000 172.8403 81 K 4.0673 8.8710 121.9318 56.7533 33.0715 177.5010 82 M 4.8675 8.3233 128.4102 53.4597 30.1055 175.6988 83 L 4.1667 7.8136 121.1982 54.0727 43.2822 177.9634 84 S 4.4995 8.1704 117.0208 57.5879 65.9772 175.3631 85 S 4.2792 8.2496 118.0432 61.2452 62.4512 176.7436 86 E 4.0545 8.1340 121.1104 59.1587 29.1940 179.3669 87 G 3.5749 8.0318 105.9311 47.5817 0.0000 175.5867 88 L 3.7837 7.8839 122.5392 57.6844 42.1138 178.6640 89 A 3.7833 7.8582 120.9804 55.2219 18.2334 179.5282 90 Q 3.8641 8.4876 116.3149 59.4188 28.4192 178.4787 91 E 3.7808 8.3021 121.5872 58.9467 29.6098 178.8658 92 L 3.6958 8.0855 119.4356 57.3514 41.4814 178.8756 93 N 4.1464 8.3290 117.5235 56.7697 39.0034 176.4695 94 Q 3.9518 8.1087 120.8580 59.3872 28.9932 178.7399 95 R 3.9800 7.7491 118.8995 59.6729 30.0995 178.9314 96 M 5.0363 8.4189 120.1773 58.4363 31.7330 179.0092 97 T 4.0041 8.4095 117.6932 66.4290 68.5214 176.2122 98 Q 4.6227 7.6646 120.6504 56.6673 28.7565 180.6738 99 G 4.1580 8.3985 108.5695 46.2753 0.0000 174.0750 100 Q 4.3234 8.3690 120.2236 55.0531 29.6220 176.2095 101 S 4.9122 8.2580 113.6207 57.4147 65.7621 172.3577 102 D 5.4579 7.6658 121.1672 52.7034 43.2627 174.3180 103 F 5.1983 9.5036 125.3161 55.5271 42.5987 174.7422 104 V 4.7339 8.9090 123.0292 61.3119 34.0825 174.0340 105 F 5.2773 9.5876 128.5813 56.1800 40.8470 175.3382 106 V 5.0020 9.3067 123.9585 59.9333 34.1976 174.5650 107 I 4.7206 8.7424 125.7216 59.4414 39.5264 176.0670 108 G 3.9881 8.7408 114.9485 45.2882 0.0000 172.9253 109 G 4.0653 8.5997 108.4223 44.7436 0.0000 174.2949 110 S 4.1271 8.7111 112.9183 61.0905 63.0498 174.6103 111 N 4.6388 8.1731 115.9869 52.5341 38.3777 175.6618 112 G 3.9896 7.9208 106.1309 44.8690 0.0000 173.5410 113 L 4.2901 8.0227 118.4533 54.0629 42.6376 177.0593 114 H 4.4529 8.5774 122.0310 55.5094 30.8986 175.8708 115 K 3.7815 8.4533 123.5031 60.0831 31.2313 178.8690 116 D 4.3851 8.2564 118.2196 57.6454 40.7731 179.0695 117 V 3.7027 7.9100 118.4966 65.7779 31.3155 178.1032 118 L 4.0258 7.7768 117.6568 57.7400 41.5431 178.7352 119 Q 4.0951 8.2131 119.1274 58.7872 29.0407 177.6985 120 R 3.9955 7.4505 118.5928 57.9601 30.5168 176.8991 121 S 4.0567 7.4386 111.9952 59.3390 62.6167 173.6177 122 N 4.8119 8.9117 123.7583 54.2310 39.6378 174.7218 123 Y 4.4854 7.7665 118.0893 56.5605 43.3566 172.9188 124 A 4.9208 8.1637 129.0844 50.7972 20.3593 175.0582 125 L 4.9658 9.4960 125.1439 54.4113 44.6114 175.0764 126 S 5.1932 9.2715 121.1436 56.8191 64.0547 174.6991 127 F 4.1691 9.1759 125.4074 58.8935 39.4272 175.1109 128 S 4.5756 6.9400 112.7992 58.0141 65.5706 176.3414 129 K 4.1399 8.5663 121.7691 58.0455 32.3074 177.6385 130 M 4.2554 7.6139 118.2075 54.9454 32.6834 175.4574 131 T 4.2901 8.0874 116.6788 61.9716 69.9403 174.3800 132 F 5.2402 8.1437 125.2968 54.6289 41.5644 174.4681 133 P 4.4433 0.0000 0.0000 63.1804 32.8744 177.0300 134 H 4.0825 8.7887 115.9419 59.3514 27.7684 177.7508 135 Q 3.6254 7.3153 120.2974 58.3814 28.4084 178.4060 136 M 2.8799 7.1779 118.5809 58.3489 32.3895 177.5710 137 M 3.8001 7.8500 118.4179 58.7854 32.3220 178.0921 138 R 3.8270 7.6953 118.6207 59.3953 30.2601 178.6909 139 V 3.5461 7.0342 117.2056 65.5998 31.4003 178.2920 140 V 3.3871 7.6371 118.1422 65.7317 31.3549 177.4652 141 L 3.6121 7.7647 120.3665 58.2240 41.8496 178.6203 142 I 3.5141 7.6110 118.2519 64.1676 37.8000 177.3017 143 E 3.0982 7.6106 119.6204 59.1097 29.1411 178.6187 144 Q 3.9947 8.2460 119.9176 58.9514 28.9925 178.4314 145 V 3.5401 7.8774 119.5919 66.0043 31.5117 177.3131 146 Y 4.0441 8.0046 119.3064 60.6512 38.5582 177.8993 147 R 3.7494 8.3670 119.7163 59.5688 30.1752 178.2635 148 A 3.8224 8.4151 120.6261 55.0109 18.3653 179.6830 149 F 3.6656 8.0380 116.3913 60.4660 38.9774 177.7738 150 K 3.6551 7.5434 118.2672 59.5534 31.8304 179.2622 151 I 3.6560 7.7408 119.7359 64.8553 36.8624 178.3978 152 M 4.0197 7.6581 117.8197 58.1072 31.8316 178.2699 153 R 4.3990 7.8800 115.6701 55.3987 30.7324 176.7902 154 G 3.9274 7.6322 106.5372 46.4531 0.0000 173.3902 155 E 4.4016 8.0405 118.4219 54.2389 30.6693 176.5984 156 A 4.0808 8.6684 126.1197 52.4927 19.0360 176.9114 157 Y 4.3915 8.3945 122.8300 58.5710 39.0636 172.8650 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 L 8.04 4.47 0.00 1.86 2.02 0.96 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.47 5.03 0.00 1.88 1.78 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.55 7.81 3 I 9.68 5.34 2.05 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 1.25 0.00 0.00 4 T 9.89 5.19 4.34 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 1.32 0.00 0.00 5 I 9.12 4.85 1.92 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 1.15 0.89 0.93 0.00 0.00 6 L 9.10 5.15 0.00 1.78 1.73 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.82 5.23 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 8 V 8.28 4.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.06 0.00 0.00 9 G 9.48 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 10 K 8.20 4.72 0.00 1.79 1.60 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.02 7.81 11 L 8.38 4.94 0.00 1.66 1.68 0.95 0.67 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 12 K 8.17 4.58 0.00 1.81 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 13 E 8.21 3.93 0.00 1.52 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 1.83 2.17 0.00 14 K 8.64 3.91 0.00 1.97 2.07 0.00 1.55 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.58 7.81 15 Y 7.37 4.20 0.00 3.00 3.07 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 0.00 0.00 0.00 16 W 7.15 4.60 0.00 3.31 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 17 K 8.07 3.90 0.00 2.03 1.91 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.67 7.81 18 Q 8.04 3.98 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 19 A 8.16 4.02 1.64 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 20 I 8.48 3.87 2.09 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 1.50 0.89 0.95 0.00 0.00 21 A 8.17 4.37 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 22 E 8.07 3.68 0.00 1.89 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 1.93 1.72 0.00 23 Y 7.56 4.10 0.00 3.01 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 24 E 8.20 3.97 0.00 2.18 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 2.36 2.67 0.00 25 K 8.25 3.98 0.00 1.71 1.82 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.70 7.81 26 R 7.69 4.06 0.00 1.36 1.51 0.00 2.85 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 27 L 8.11 4.67 0.00 1.76 1.72 1.01 0.83 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 28 G 7.84 3.92 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 0.00 0.00 0.00 29 P 0.00 4.07 0.00 1.27 1.73 0.00 3.80 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 1.97 2.09 0.00 30 Y 7.42 4.30 0.00 2.46 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 31 T 6.41 4.15 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 1.06 0.00 0.00 32 K 8.44 4.30 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 33 I 8.34 5.20 1.91 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 1.29 1.15 0.94 0.00 0.00 34 D 9.27 4.96 0.00 2.76 2.48 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 35 I 8.52 5.06 1.90 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 1.38 0.83 0.98 0.00 0.00 36 I 9.19 4.52 1.90 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 1.25 0.81 0.93 0.00 0.00 37 E 8.86 5.11 0.00 1.84 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 2.23 2.32 0.00 38 V 8.48 4.45 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 0.85 0.00 0.00 0.93 0.00 0.00 39 P 0.00 4.66 0.00 1.93 2.00 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 40 D 8.58 4.48 0.00 2.77 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 41 E 8.42 4.31 0.00 1.92 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 2.25 2.38 0.00 42 K 8.47 4.23 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 43 A 8.01 4.78 1.19 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 0.00 0.00 44 P 0.00 4.08 0.00 2.06 1.95 0.00 3.71 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 *48 S 7.98 4.24 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.90 4.48 0.00 2.72 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 50 K 7.97 4.17 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 51 E 8.16 4.21 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 52 I 7.99 3.74 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.58 0.92 0.00 0.00 53 E 8.05 3.96 0.00 2.08 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 2.39 2.35 0.00 54 Q 7.86 3.96 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 55 V 7.56 3.63 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 1.02 0.00 0.00 0.93 0.00 0.00 56 K 8.32 4.05 0.00 2.06 1.91 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.63 7.81 57 E 8.86 3.57 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 58 K 8.01 3.96 0.00 1.85 1.92 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 59 E 8.20 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.90 0.00 0.00 68 K 8.38 4.18 0.00 1.76 1.96 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.40 7.81 69 P 0.00 4.27 0.00 2.02 2.10 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 70 Q 7.93 4.10 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 71 S 7.40 4.17 0.00 3.87 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 72 T 8.34 4.12 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 1.29 0.00 0.00 73 V 9.47 4.60 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 0.81 0.00 0.00 0.96 0.00 0.00 74 I 9.12 5.12 1.31 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.30 1.08 0.00 0.00 75 T 8.78 4.86 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 1.25 0.00 0.00 76 L 8.68 4.88 0.00 1.79 1.76 1.24 0.51 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 77 E 9.05 4.63 0.00 1.89 1.79 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 2.23 2.30 0.00 78 I 8.79 3.33 1.84 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 1.34 0.42 0.90 0.00 0.00 79 Q 8.01 4.16 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 80 G 8.27 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 81 K 8.87 4.07 0.00 1.63 1.75 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.56 7.81 82 M 8.32 4.87 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 83 L 7.81 4.17 0.00 1.54 1.53 0.87 1.05 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 84 S 8.17 4.50 0.00 4.11 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 85 S 8.25 4.28 0.00 3.85 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 86 E 8.13 4.05 0.00 2.01 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 2.37 2.40 0.00 87 G 8.03 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.88 3.78 0.00 1.66 1.55 0.90 0.94 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 89 A 7.86 3.78 1.25 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 0.00 0.00 0.00 90 Q 8.49 3.86 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 91 E 8.30 3.78 0.00 1.90 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 1.54 2.06 0.00 92 L 8.09 3.70 0.00 1.31 1.14 0.68 0.09 0.00 0.00 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0.00 0.00 0.00 2.24 2.26 0.00 101 S 8.26 4.91 0.00 3.91 4.07 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 0.00 0.00 0.00 102 D 7.67 5.46 0.00 2.72 2.40 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 0.00 103 F 9.50 5.20 0.00 3.06 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.91 4.73 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 1.03 0.00 0.00 0.94 0.00 0.00 105 F 9.59 5.28 0.00 2.98 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 0.00 106 V 9.31 5.00 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 0.91 0.00 0.00 0.97 0.00 0.00 107 I 8.74 4.72 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.90 0.00 0.00 108 G 8.74 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 0.00 109 G 8.60 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.71 4.13 0.00 4.00 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 0.00 111 N 8.17 4.64 0.00 2.73 2.87 0.00 0.00 6.95 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 0.00 112 G 7.92 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 0.00 113 L 8.02 4.29 0.00 1.66 1.62 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.58 4.45 0.00 3.23 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.45 3.78 0.00 1.71 1.81 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.39 7.81 116 D 8.26 4.39 0.00 2.77 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 0.00 117 V 7.91 3.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 118 L 7.78 4.03 0.00 1.76 1.71 0.90 0.95 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 0.00 119 Q 8.21 4.10 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 120 R 7.45 4.00 0.00 1.86 2.13 0.00 3.39 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 121 S 7.44 4.06 0.00 3.89 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 0.00 122 N 8.91 4.81 0.00 2.69 2.88 0.00 0.00 6.77 7.41 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 0.00 123 Y 7.77 4.49 0.00 3.04 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.16 4.92 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 0.00 125 L 9.50 4.97 0.00 1.99 1.78 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.27 5.19 0.00 4.26 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 0.00 127 F 9.18 4.17 0.00 3.15 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 6.94 4.58 0.00 3.84 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 0.00 129 K 8.57 4.14 0.00 1.76 1.81 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 130 M 7.61 4.26 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 131 T 8.09 4.29 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 1.20 0.00 0.00 132 F 8.14 5.24 0.00 2.92 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 0.00 133 P 0.00 4.44 0.00 2.23 2.24 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 134 H 8.79 4.08 0.00 3.31 3.60 0.00 5.46 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 0.00 135 Q 7.32 3.63 0.00 1.31 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 136 M 7.18 2.88 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 137 M 7.85 3.80 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 138 R 7.70 3.83 0.00 1.93 1.88 0.00 3.10 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 139 V 7.03 3.55 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 1.09 0.00 0.00 0.88 0.00 0.00 140 V 7.64 3.39 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 0.97 0.00 0.00 0.75 0.00 0.00 141 L 7.76 3.61 0.00 1.27 1.62 0.51 0.90 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 0.00 142 I 7.61 3.51 1.83 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 1.47 1.19 1.01 0.00 0.00 143 E 7.61 3.10 0.00 1.58 1.81 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 1.64 2.27 0.00 144 Q 8.25 3.99 0.00 2.48 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 145 V 7.88 3.54 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 1.22 0.00 0.00 0.45 0.00 0.00 146 Y 8.00 4.04 0.00 3.00 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 0.00 147 R 8.37 3.75 0.00 2.17 2.11 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 148 A 8.42 3.82 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 0.00 149 F 8.04 3.67 0.00 2.67 2.40 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 0.00 150 K 7.54 3.66 0.00 1.65 1.91 0.00 1.52 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 0.52 7.81 151 I 7.74 3.66 1.77 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 1.50 0.89 0.86 0.00 0.00 152 M 7.66 4.02 0.00 1.93 2.20 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 153 R 7.88 4.40 0.00 2.10 2.07 0.00 3.59 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 154 G 7.63 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.04 4.40 0.00 2.01 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 2.37 2.46 0.00 156 A 8.67 4.08 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 0.00 157 Y 8.39 4.39 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.