NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.8241 8.3998 116.7728 63.8489 69.4054 173.4783 6 S 4.3270 7.8231 114.1330 58.5154 64.7140 173.7979 7 H 4.8564 8.9257 119.2032 55.5972 29.5681 177.9740 8 K 3.9515 8.1805 123.4328 59.0578 32.0469 177.5063 9 Q 4.5356 7.8702 114.1844 55.2102 29.1641 175.3362 10 A 4.1618 7.7133 121.7444 52.3594 18.7607 179.0383 11 S 4.2292 8.5303 115.3402 60.3923 63.7897 174.5959 12 C 4.3821 7.8373 122.1527 58.0025 32.6799 172.2739 13 P 4.3251 0.0000 0.0000 65.2714 31.0521 178.6244 14 V 3.6946 7.6607 116.2744 65.6007 31.7913 177.4518 15 A 3.9712 7.7935 120.1628 54.9461 18.2107 179.4433 16 R 4.0193 7.7090 116.3260 59.2288 30.2421 177.5695 17 P 4.2816 0.0000 0.0000 65.1565 31.2624 178.4478 18 L 4.1127 7.9701 117.8825 57.3382 41.3203 178.8759 19 D 4.3804 7.9708 119.1165 56.5605 40.3863 178.2627 20 V 3.8079 7.4714 117.1818 63.5811 32.5715 176.1214 21 I 4.3806 7.6219 108.3295 60.4929 38.9835 176.4971 22 G 3.8832 7.8933 112.8187 43.4740 0.0000 171.4645 23 D 4.5598 7.2751 119.8153 52.7376 42.4008 176.5551 24 G 3.5275 8.5499 106.5317 46.4775 0.0000 174.2365 25 W 5.0923 8.0799 116.6949 57.6357 33.1560 177.3320 26 S 4.1451 9.0324 113.7013 59.3833 62.6644 176.2127 *28 L 4.3849 8.0071 122.6508 55.0157 43.7031 179.2856 29 I 3.7935 8.0813 119.3921 64.4866 36.9475 178.6203 30 V 3.6447 8.0285 118.9721 65.8222 31.0862 177.6333 31 R 4.1230 8.3261 118.1633 60.1272 29.8045 177.9787 32 D 4.4560 8.5423 118.0122 57.2031 40.7866 178.6143 33 A 4.3904 8.3556 122.7734 54.8313 18.2207 179.7213 34 F 4.2746 8.2202 114.7072 59.8417 39.0406 176.6873 35 E 4.5404 7.7423 116.2997 56.0529 29.6492 176.8572 36 G 4.0011 8.0217 107.8921 44.8864 0.0000 174.0655 37 L 4.1207 7.7861 121.1908 54.7205 42.1400 177.7509 38 T 4.9543 9.1025 110.8800 60.2829 70.6304 173.7431 39 R 5.0741 7.8209 121.3390 54.1826 33.3889 176.2457 40 F 4.2451 9.3246 124.7020 61.9488 39.3636 177.9746 41 G 3.7930 8.4679 104.3696 47.8070 0.0000 175.3519 42 E 3.8497 7.9170 120.1836 59.3917 29.5904 179.1312 43 F 4.1018 7.7531 117.7868 60.4357 38.8778 177.5527 44 Q 3.7705 7.9742 119.1165 59.1655 28.6658 178.5503 45 K 3.9849 7.7368 118.1960 59.2838 32.1177 179.0514 46 S 4.2367 7.9945 112.5643 61.3212 62.8876 175.6958 47 L 4.5933 8.5907 120.8258 54.1753 41.5067 177.8129 48 G 3.9388 7.6871 105.9673 46.0221 0.0000 172.8676 49 L 3.8442 7.0121 119.4842 52.9497 43.0081 176.8839 50 A 3.9264 8.3479 126.5303 52.5827 19.6792 178.0851 51 K 3.9018 8.6759 124.9753 59.8983 32.4727 178.6783 52 N 4.2853 8.2894 116.0461 56.8267 38.4585 177.3227 53 I 3.7386 7.6334 120.3486 64.0065 37.2868 178.0090 54 L 3.6863 8.3245 121.5210 57.8940 41.8435 178.7341 55 A 4.2982 8.5108 120.8013 55.3384 18.2503 179.3916 56 A 3.9432 7.9789 119.0708 55.5899 18.4186 180.1765 57 R 3.8638 7.9351 116.4805 59.0690 30.0506 179.4184 58 L 3.6996 7.8818 118.8547 57.8990 41.6721 179.4734 59 R 4.0159 8.0929 117.9846 59.5823 30.0123 178.6831 60 N 4.3364 8.5476 116.9343 56.5919 38.9426 176.8534 61 L 4.0556 8.1953 120.6750 57.7487 41.6534 179.7900 62 V 3.6053 7.9789 118.1564 66.0564 31.3318 177.7024 63 E 3.9535 8.0601 117.6882 59.4125 29.5384 177.6170 64 H 4.6678 8.0719 113.3080 55.5493 28.9669 176.1331 65 G 3.9010 7.9290 109.0820 45.9999 0.0000 174.6661 66 V 3.8009 7.8862 118.2206 63.7408 31.9183 175.7802 *68 V 4.2513 7.4039 111.4080 61.9278 33.4839 174.2470 69 A 4.6919 8.4841 124.2169 50.4423 20.4855 176.1718 70 V 4.5650 8.4291 115.4006 58.8540 35.9188 173.9430 71 P 5.0052 0.0000 0.0000 62.1727 30.8346 176.0592 72 A 4.0677 8.8371 126.8361 52.5190 18.7080 178.4700 73 E 3.9262 8.6874 121.4814 58.3519 29.7971 177.1696 74 S 4.2144 7.9037 113.2495 60.0156 63.9881 171.7032 75 G 3.7322 8.3772 113.0608 44.4109 0.0000 172.8306 76 S 4.6926 8.2156 112.2845 56.1341 61.5293 171.5503 77 H 4.9144 7.2851 117.7586 54.9177 32.4581 173.9462 78 Q 4.9380 8.6514 117.4122 54.5886 31.1527 174.6289 79 E 5.0858 9.1565 121.3297 54.8745 33.2374 174.4343 80 Y 5.0326 9.2876 121.1799 56.5948 39.5543 175.5459 81 R 4.7956 8.8681 123.1534 53.9080 33.6821 175.5931 82 L 4.3613 8.6268 123.1404 55.2619 42.6988 177.2907 83 T 4.3818 8.4520 113.2522 60.3373 71.0088 175.2970 84 D 4.3808 8.8213 120.4444 57.7673 40.3936 179.0369 85 K 4.0137 8.1756 117.9176 59.7035 32.5230 178.4823 86 G 3.7408 8.2513 105.9296 47.7290 0.0000 175.8092 87 R 4.1046 8.6687 121.1897 58.9065 29.8964 178.0481 88 A 4.3418 8.0010 119.2433 53.8830 18.6180 178.6355 89 L 4.2540 8.0055 116.9735 55.7862 41.5796 178.6771 90 F 3.8598 8.2488 121.8480 60.7980 39.2473 174.9346 91 P 4.0172 0.0000 0.0000 65.4780 31.0910 178.1015 92 L 3.8507 7.8707 118.4397 58.0473 41.8877 178.4966 93 L 3.8411 8.0557 120.4272 58.2237 41.9300 178.9791 94 V 3.2877 7.4306 118.0450 65.8470 31.3401 177.7080 95 A 3.9613 8.0327 120.4647 55.2183 18.1660 179.5529 96 I 3.7074 7.8590 118.2777 64.5932 37.2277 178.2776 97 R 3.9004 8.1959 119.7634 59.9778 29.7909 178.5016 98 Q 4.0543 8.4130 117.7176 58.6634 28.7608 178.4044 99 W 4.6217 8.6208 129.6648 60.4099 30.8607 178.2435 100 G 3.6796 8.6108 105.9073 47.9090 0.0000 175.4616 101 E 3.9717 8.4611 120.4935 59.3239 29.5678 179.0133 102 D 4.2681 8.4090 118.0641 56.5847 40.9048 176.7422 103 Y 4.5142 7.6352 111.9594 57.2502 39.6944 175.6779 104 F 4.3584 8.2237 116.7011 56.7088 40.1916 175.0543 105 F 4.8905 7.8589 118.8603 54.9053 42.0093 174.8615 106 A 4.1682 8.9428 127.7120 51.8737 18.7239 177.1288 107 P 4.2444 0.0000 0.0000 65.2710 31.5490 177.4476 108 D 4.4868 8.0685 115.7872 55.3805 41.5111 175.3402 109 E 4.6319 8.1255 118.7596 55.5317 31.0124 175.7263 110 S 4.6104 8.2628 118.6971 57.6413 64.9467 172.6706 111 H 4.6766 7.5118 115.9851 54.3230 30.7429 173.6712 112 V 3.8403 8.1422 113.3294 61.6271 31.9333 176.0479 113 R 4.6243 8.0493 119.4911 54.1906 33.5094 174.9422 114 L 4.4184 8.3490 123.6469 54.7132 43.1253 175.8074 115 V 5.0125 8.2233 118.5160 59.1043 35.8144 175.2749 116 E 4.0666 8.9223 122.9243 56.6018 29.7312 178.6878 117 R 3.8463 8.8310 123.7569 59.4549 30.3339 177.6512 118 D 4.4157 8.0030 116.4315 56.6496 41.5258 176.8799 119 S 4.5188 7.8371 112.5594 59.1068 64.3845 175.0168 120 G 3.4851 7.9818 110.4922 46.2783 0.0000 169.3722 121 Q 3.6351 8.8191 128.9905 54.1862 26.4351 171.1654 122 P 4.7579 0.0000 0.0000 62.5504 32.1439 176.7948 123 V 3.7749 8.5699 124.4384 62.2147 31.9146 174.1886 124 P 4.4111 0.0000 0.0000 62.4871 32.0218 176.2104 125 R 4.0692 8.6043 122.3980 56.4774 30.4883 176.5393 126 L 4.1803 8.7024 124.9928 55.3650 42.2418 176.6337 127 Q 4.4859 8.0865 121.2059 54.7894 32.0490 174.2238 128 V 3.8487 8.5944 127.2079 63.1781 32.6604 174.8262 129 R 5.2328 8.4146 125.1804 54.1535 34.1549 175.0041 130 A 4.3047 9.0375 125.4082 51.2119 19.3899 178.9325 131 G 3.7426 8.7220 108.4756 48.9881 0.0000 174.4444 132 D 4.4736 8.0015 116.1784 53.5517 39.7270 177.1242 133 G 3.9749 8.3849 109.7666 45.3035 0.0000 174.1904 134 S 4.4278 8.2515 115.0420 56.8182 64.0655 171.8793 135 P 4.7471 0.0000 0.0000 63.2289 31.8237 175.3376 136 L 4.7649 8.5453 125.1198 53.1268 44.4169 175.9438 137 A 4.3321 8.6487 127.6557 51.2497 19.8475 177.6864 138 A 3.9331 8.9440 123.5650 55.4402 18.4504 180.0669 139 E 4.0836 8.0814 111.5042 58.6936 29.9351 177.0775 140 D 4.7479 7.9719 119.0422 54.1484 40.8089 175.5102 141 T 4.7444 7.6128 109.3902 59.9440 71.6965 172.6430 142 R 4.5561 8.0232 116.6173 55.1227 32.1829 174.1044 143 V 4.1884 8.1278 118.2954 61.1964 32.6343 174.7835 144 S 4.7471 8.3592 121.1838 56.5732 64.5847 173.7285 145 R 4.1803 8.7540 125.0981 56.5469 29.6589 176.3056 146 D 4.7015 7.9424 124.2865 54.9527 41.5266 173.7691 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 5 T 8.40 4.82 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 1.31 0.00 0.00 6 S 7.82 4.33 0.00 3.95 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 7 H 8.93 4.86 0.00 3.32 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.18 3.95 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 Q 7.87 4.54 0.00 2.04 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 2.27 2.39 0.00 10 A 7.71 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.53 4.23 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.84 4.38 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.04 2.09 0.00 3.71 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 2.01 2.13 0.00 14 V 7.66 3.69 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 0.78 0.00 0.00 0.89 0.00 0.00 15 A 7.79 3.97 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 16 R 7.71 4.02 0.00 1.84 2.01 0.00 3.14 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 1.90 1.85 0.00 17 P 0.00 4.28 0.00 2.13 2.09 0.00 3.56 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 2.14 2.17 0.00 18 L 7.97 4.11 0.00 1.85 1.73 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.97 4.38 0.00 2.76 2.70 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 20 V 7.47 3.81 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 0.88 0.00 0.00 0.68 0.00 0.00 21 I 7.62 4.38 1.87 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 1.47 0.83 0.92 0.00 0.00 22 G 7.89 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 23 D 7.28 4.56 0.00 2.81 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 24 G 8.55 3.53 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 0.00 0.00 0.00 25 W 8.08 5.09 0.00 3.36 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 26 S 9.03 4.15 0.00 3.87 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 *28 L 8.01 4.38 0.00 2.06 1.90 0.71 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.08 3.79 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.35 0.00 0.00 30 V 8.03 3.64 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 1.31 0.00 0.00 1.01 0.00 0.00 31 R 8.33 4.12 0.00 2.03 2.21 0.00 3.30 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 32 D 8.54 4.46 0.00 3.26 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 33 A 8.36 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 34 F 8.22 4.27 0.00 3.40 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 35 E 7.74 4.54 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 36 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.79 4.12 0.00 1.06 0.72 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.10 4.95 4.45 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 1.29 0.00 0.00 39 R 7.82 5.07 0.00 2.00 1.96 0.00 3.02 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 40 F 9.32 4.25 0.00 3.45 3.25 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 41 G 8.47 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 42 E 7.92 3.85 0.00 1.86 1.71 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 2.30 2.32 0.00 43 F 7.75 4.10 0.00 2.89 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 44 Q 7.97 3.77 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.57 0.00 45 K 7.74 3.98 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 46 S 7.99 4.24 0.00 3.85 4.11 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 47 L 8.59 4.59 0.00 1.66 1.75 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.69 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 0.00 0.00 0.00 49 L 7.01 3.84 0.00 0.67 1.08 -0.27 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.35 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.68 3.90 0.00 1.92 1.88 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.75 1.96 7.81 52 N 8.29 4.29 0.00 2.77 2.87 0.00 0.00 7.01 7.46 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 53 I 7.63 3.74 1.85 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 1.47 0.79 0.77 0.00 0.00 54 L 8.32 3.69 0.00 1.43 1.70 0.56 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.51 4.30 1.52 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 56 A 7.98 3.94 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 57 R 7.94 3.86 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 58 L 7.88 3.70 0.00 1.69 1.25 0.34 -0.50 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 59 R 8.09 4.02 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 60 N 8.55 4.34 0.00 2.88 2.96 0.00 0.00 7.20 7.24 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 61 L 8.20 4.06 0.00 1.81 1.71 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.98 3.61 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 1.03 0.00 0.00 1.13 0.00 0.00 63 E 8.06 3.95 0.00 1.96 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 2.25 2.31 0.00 64 H 8.07 4.67 0.00 3.21 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.93 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 66 V 7.89 3.80 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 0.98 0.00 0.00 0.97 0.00 0.00 *68 V 7.40 4.25 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 0.68 0.00 0.00 0.93 0.00 0.00 69 A 8.48 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.43 4.56 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 0.69 0.00 0.00 0.89 0.00 0.00 71 P 0.00 5.01 0.00 2.02 2.02 0.00 3.34 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 72 A 8.84 4.07 1.13 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 0.00 0.00 73 E 8.69 3.93 0.00 1.96 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 2.30 2.28 0.00 74 S 7.90 4.21 0.00 3.95 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 75 G 8.38 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.22 4.69 0.00 3.81 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 77 H 7.29 4.91 0.00 3.30 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.65 4.94 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 79 E 9.16 5.09 0.00 1.80 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 2.30 2.24 0.00 80 Y 9.29 5.03 0.00 3.24 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 81 R 8.87 4.80 0.00 1.64 1.79 0.00 3.36 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 82 L 8.63 4.36 0.00 1.39 1.49 -0.02 0.80 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 83 T 8.45 4.38 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 1.28 0.00 0.00 84 D 8.82 4.38 0.00 2.72 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 85 K 8.18 4.01 0.00 1.77 2.00 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.56 7.81 86 G 8.25 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 87 R 8.67 4.10 0.00 2.04 2.13 0.00 3.10 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 88 A 8.00 4.34 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 89 L 8.01 4.25 0.00 2.19 1.89 1.01 0.81 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 90 F 8.25 3.86 0.00 2.95 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 91 P 0.00 4.02 0.00 2.18 2.07 0.00 3.95 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 2.16 2.21 0.00 92 L 7.87 3.85 0.00 1.70 1.85 0.92 0.50 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 93 L 8.06 3.84 0.00 1.83 1.53 0.96 0.86 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 94 V 7.43 3.29 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 0.88 0.00 0.00 -0.07 0.00 0.00 95 A 8.03 3.96 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 96 I 7.86 3.71 1.98 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 1.40 0.70 0.94 0.00 0.00 97 R 8.20 3.90 0.00 1.88 2.08 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 98 Q 8.41 4.05 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 99 W 8.62 4.62 0.00 3.56 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 0.00 100 G 8.61 3.68 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 0.00 0.00 0.00 101 E 8.46 3.97 0.00 2.06 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 1.96 2.49 0.00 102 D 8.41 4.27 0.00 2.53 1.75 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 0.00 103 Y 7.64 4.51 0.00 2.34 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 0.00 104 F 8.22 4.36 0.00 3.04 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.86 4.89 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.94 4.17 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 0.00 107 P 0.00 4.24 0.00 2.05 2.12 0.00 3.68 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 2.02 2.06 0.00 108 D 8.07 4.49 0.00 2.64 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 0.00 109 E 8.13 4.63 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 110 S 8.26 4.61 0.00 3.80 3.68 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 0.00 111 H 7.51 4.68 0.00 2.91 2.68 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.14 3.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 113 R 8.05 4.62 0.00 1.72 1.77 0.00 3.15 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 114 L 8.35 4.42 0.00 1.78 1.54 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.22 5.01 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 0.79 0.00 0.00 0.94 0.00 0.00 116 E 8.92 4.07 0.00 1.93 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 2.35 2.31 0.00 117 R 8.83 3.85 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 118 D 8.00 4.42 0.00 2.62 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 0.00 119 S 7.84 4.52 0.00 4.01 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 0.00 120 G 7.98 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 0.00 0.00 0.00 121 Q 8.82 3.64 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 122 P 0.00 4.76 0.00 1.92 1.98 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 123 V 8.57 3.77 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 0.98 0.00 0.00 124 P 0.00 4.41 0.00 1.98 1.99 0.00 3.76 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 2.04 2.10 0.00 125 R 8.60 4.07 0.00 1.77 1.85 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 L 8.70 4.18 0.00 1.65 1.58 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.09 4.49 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 128 V 8.59 3.85 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 0.91 0.00 0.00 0.92 0.00 0.00 129 R 8.41 5.23 0.00 1.68 1.76 0.00 3.26 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 130 A 9.04 4.30 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 0.00 131 G 8.72 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 0.00 132 D 8.00 4.47 0.00 2.80 2.79 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 0.00 133 G 8.38 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 0.00 0.00 0.00 134 S 8.25 4.43 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.75 0.00 1.96 2.20 0.00 3.62 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 2.04 2.10 0.00 136 L 8.55 4.76 0.00 1.65 1.51 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.65 4.33 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 0.00 138 A 8.94 3.93 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 0.00 139 E 8.08 4.08 0.00 2.08 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 0.00 2.27 2.27 0.00 140 D 7.97 4.75 0.00 2.86 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 0.00 141 T 7.61 4.74 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 0.00 142 R 8.02 4.56 0.00 1.88 1.89 0.00 3.01 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 143 V 8.13 4.19 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 0.79 0.00 0.00 0.91 0.00 0.00 144 S 8.36 4.75 0.00 3.81 3.68 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 0.00 145 R 8.75 4.18 0.00 1.84 1.92 0.00 3.38 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 1.63 1.64 0.00 146 D 7.94 4.70 0.00 2.75 2.64 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 * Residues marked with a * may have inaccurate shift predictions.