NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2856 8.2745 112.9174 60.8730 70.0893 177.1443 3 S 4.3768 9.1146 114.1948 56.9097 61.1837 173.7333 4 L 4.4387 7.2631 125.4817 53.2985 44.8056 175.3863 5 P 4.5982 0.0000 0.0000 62.1098 29.8074 175.4791 6 L 4.6958 7.1314 118.6831 53.4636 44.3147 177.1279 7 E 4.0311 8.5836 120.6835 56.2195 30.3637 178.0394 8 A 3.9395 8.8887 124.7241 55.7332 18.2669 180.0948 9 N 4.1970 8.0533 113.7388 56.3422 38.6507 177.2789 10 A 3.1480 7.7865 121.3416 54.9234 18.3831 179.2771 11 A 3.7600 8.2376 119.3088 55.2095 18.4342 179.7630 12 A 3.9116 7.9422 119.2028 55.5543 18.4524 180.0806 13 T 3.8833 7.7583 114.2963 66.6432 68.5512 176.6730 14 L 4.1451 8.0099 122.3356 58.1999 42.1895 178.7652 15 A 4.1288 8.2531 120.7543 55.4226 18.2974 179.5452 16 E 3.9971 8.2980 116.9301 59.1684 29.5576 179.3297 17 W 4.2538 8.8752 128.8848 60.9313 30.8102 177.7000 18 H 4.3705 9.0150 116.7316 58.9473 28.2789 178.0401 19 G 3.6354 8.1447 107.2770 47.7027 0.0000 175.8437 20 L 3.9329 7.8614 121.2680 57.5626 41.6271 179.6038 21 I 3.2997 7.3276 119.4985 64.1575 36.7601 178.2839 22 A 3.9949 7.8192 120.4294 55.2023 18.3392 179.3101 23 R 4.0988 7.8662 115.7763 56.7066 30.5236 177.3870 24 R 3.6920 7.7879 116.1687 56.7429 27.2897 181.9741 25 D 4.5295 7.8576 118.6943 53.5986 42.3270 174.0179 26 L 4.5162 8.0373 128.5205 54.7639 42.3407 179.8867 27 S 4.1694 8.0028 116.5313 61.3327 62.9999 175.3650 28 G 3.8156 7.9704 107.6182 45.6502 0.0000 174.6003 29 L 4.1141 7.7371 121.9691 57.7925 42.3321 177.5211 30 P 4.3012 0.0000 0.0000 65.1833 31.5234 178.4380 31 R 3.9646 7.5580 116.8318 59.1354 30.2150 177.4787 32 L 4.3336 8.2449 117.0487 56.0695 42.1327 176.5939 33 L 4.8987 7.2887 118.2584 53.5045 42.9991 176.0084 34 H 4.4569 9.0577 122.6353 54.9694 30.6898 174.4525 35 P 4.2132 0.0000 0.0000 65.7409 30.8991 177.0984 36 D 4.9845 8.1525 115.8892 53.6254 41.3246 176.0359 37 A 4.3823 8.0918 121.8128 52.6794 19.6421 177.5370 38 V 4.8720 8.7192 120.3883 61.0230 34.7936 174.0760 39 F 5.3230 9.3286 129.7435 56.6560 42.0326 174.1321 40 R 4.7266 8.3717 126.4671 54.2286 31.0637 175.6477 41 S 4.5210 8.5615 119.5003 56.8309 63.3828 173.4215 42 P 4.4477 0.0000 0.0000 62.8558 30.5287 175.9395 *44 A 4.1504 7.8001 120.0848 53.3033 19.6650 177.6300 45 H 4.2142 8.9424 120.1761 59.3531 29.0940 177.2299 46 K 3.8496 7.9766 121.2860 54.2050 31.4962 176.7542 47 P 4.7164 0.0000 0.0000 61.9967 32.8797 175.5260 48 Y 4.6012 9.4205 118.6118 56.5835 39.2975 174.7756 49 A 4.6717 8.6330 126.9310 51.7331 20.6560 177.2426 50 G 3.8715 9.4962 109.9754 45.6726 0.0000 174.1859 51 A 3.9975 9.1244 126.2723 54.9802 18.0811 178.3456 52 P 4.1489 0.0000 0.0000 65.6534 31.5569 178.6369 53 V 3.6899 7.6694 114.9968 66.0072 31.8309 177.5526 54 V 3.6188 7.8518 117.9170 65.9897 31.3124 178.6349 55 S 4.1730 7.9506 109.2199 59.1948 61.9094 175.5317 *57 I 3.7279 7.6818 122.3135 60.7296 38.8534 177.8832 58 L 3.6333 7.3642 119.9894 57.8626 41.1722 179.4422 59 N 4.2208 8.0679 116.2657 56.3338 38.4984 177.7528 60 T 3.7355 7.3955 116.6966 66.4820 68.7254 176.7010 61 V 3.2036 7.7611 120.4968 65.9190 31.2966 177.6283 62 L 3.7483 7.7500 119.1726 58.3638 41.8412 178.6897 63 T 4.0374 7.3114 108.7819 64.0611 68.9916 176.9585 64 V 3.7019 7.1268 120.2191 64.6807 31.8046 176.5898 65 F 4.7213 7.3816 117.3388 57.6454 39.2912 174.4916 66 E 4.7587 9.1662 125.2364 55.6663 31.8396 175.6604 67 D 4.5633 8.7693 119.4550 55.2252 38.5029 173.8730 68 F 4.3515 8.3314 120.5592 58.3011 40.2209 174.1503 69 A 4.5666 7.9713 126.9186 50.6524 22.6491 174.7090 70 Y 4.8802 8.4821 119.5695 58.6734 39.5181 174.0112 71 H 4.8161 9.7770 117.9933 56.2151 30.9262 177.2255 72 R 4.2614 6.8406 125.2624 57.0108 31.8117 175.7723 73 Q 5.0028 8.5988 120.5365 54.2111 31.9206 174.6823 74 L 4.9186 9.0842 123.8579 52.7256 45.2257 175.4351 75 A 5.3282 8.4876 124.0579 49.9261 21.8444 176.2393 76 S 4.4323 9.0007 115.9316 57.7333 64.2018 175.4497 77 A 4.0550 8.7036 123.9383 54.9848 18.2433 178.3578 78 D 4.4805 8.1529 113.1801 53.2419 40.1313 176.7476 79 G 3.9866 8.2983 108.4223 46.8416 0.0000 174.9020 80 R 4.7387 8.3620 117.1431 55.5450 32.5577 175.6988 81 S 5.3818 8.3278 115.3263 56.5488 66.8271 173.4907 82 V 4.9703 8.7518 122.4385 59.9361 34.6463 174.9158 83 V 4.4323 8.9923 122.8498 61.2446 34.2556 174.1514 84 L 4.8188 9.0027 129.1853 52.8222 43.3178 175.3771 85 E 4.6481 9.2162 127.1305 56.0281 30.8484 175.6093 86 F 5.4975 9.2101 121.1212 55.2055 42.1111 173.3545 87 S 5.1724 8.3846 113.7551 57.0932 66.2732 172.9531 88 A 5.0967 8.1697 121.5272 51.9897 23.2883 174.9122 89 R 5.0840 8.9561 113.3265 55.1561 33.5239 174.8865 90 V 4.4465 9.0502 122.0650 61.3441 33.3676 177.6320 91 G 3.8719 8.9708 121.3731 46.6841 0.0000 174.2775 92 E 4.0522 9.2747 126.0828 57.7038 30.1854 175.6603 93 R 4.2929 7.9266 119.1030 55.2027 30.2901 175.0618 94 E 4.8475 8.7267 123.8590 55.6963 30.5195 175.9472 95 L 5.0496 9.1930 124.4680 53.7073 44.7646 174.9047 96 K 4.7132 8.9078 119.1273 54.9875 35.9739 175.1153 97 G 3.7463 8.1032 112.6143 45.1988 0.0000 171.4634 98 I 5.2316 7.8455 111.8174 59.3500 41.3105 174.6941 99 D 5.4666 9.2092 124.6858 52.8065 44.4978 174.8380 *101 I 3.7759 7.9665 118.3029 61.3324 38.6958 174.9017 102 R 4.7462 8.2872 127.4450 54.6200 31.8632 174.8186 103 F 5.3729 9.1271 125.4966 55.8429 41.8516 175.6182 104 D 4.7956 8.8746 121.8675 52.0998 41.2527 176.8252 105 D 4.3935 8.6841 117.9959 57.7043 40.6753 177.5070 106 D 4.5233 8.2420 115.7780 54.4262 41.1416 177.1551 107 G 3.9721 8.2699 107.9590 45.2798 0.0000 174.1212 108 R 4.3887 8.4348 119.7128 55.6061 30.9441 175.8515 109 I 3.9870 9.0036 123.8864 61.8688 37.5221 176.8472 110 V 4.1416 8.7721 120.9989 62.1849 34.1262 175.8159 111 D 5.1264 7.7074 119.4152 52.4538 44.8154 173.9755 112 F 4.7259 9.5035 128.0556 56.5169 42.0817 172.7005 113 E 4.8924 8.6579 127.3832 54.4275 31.3907 175.0394 114 V 5.3101 7.9981 126.3638 60.2983 34.7152 174.3778 *116 V 4.2705 8.1131 120.7364 62.8790 32.2843 174.6221 117 R 4.5839 8.9295 121.9833 55.6718 33.2654 173.0074 118 P 4.0912 0.0000 0.0000 64.8594 30.6198 178.1361 *120 S 4.3905 9.1667 111.7326 57.8028 65.9342 177.2757 121 G 3.6101 8.0648 107.3599 47.2724 0.0000 175.2456 122 L 4.0380 7.9302 123.0088 57.9607 42.1336 178.8455 123 Q 4.0042 8.2140 117.2016 59.0780 28.6962 178.8092 124 A 3.9985 7.9168 121.2176 55.0555 18.2333 179.1705 125 L 3.9661 7.9884 117.6540 58.4585 42.2520 179.0224 126 G 3.8576 8.1477 104.2489 47.8727 0.0000 174.9193 127 E 4.2005 8.2961 121.0628 59.0650 29.4858 180.2938 128 E 4.0074 8.1190 118.4037 56.4768 29.5531 178.6724 *130 G 3.8373 8.1076 108.1526 45.1041 0.0000 175.9250 131 R 3.8864 7.9879 119.3649 59.2775 30.1086 178.0929 132 R 4.0019 8.1628 117.9158 59.2211 30.6333 177.7731 133 L 4.3133 7.2162 118.9381 53.8709 40.3119 181.4862 134 A 4.5155 7.9220 127.7681 54.5605 20.7095 178.4795 135 S 4.1866 7.6517 114.7109 58.5841 63.2252 175.7201 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 T 8.27 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 S 9.11 4.38 0.00 3.71 3.72 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 4 L 7.26 4.44 0.00 1.57 1.58 0.98 1.05 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 5 P 0.00 4.60 0.00 2.21 2.08 0.00 3.80 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 1.98 1.98 0.00 6 L 7.13 4.70 0.00 1.59 1.52 0.85 1.06 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 7 E 8.58 4.03 0.00 2.03 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 0.00 2.32 2.39 0.00 8 A 8.89 3.94 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 9 N 8.05 4.20 0.00 2.71 2.97 0.00 0.00 6.94 7.73 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 10 A 7.79 3.15 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 11 A 8.24 3.76 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 12 A 7.94 3.91 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 13 T 7.76 3.88 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 1.54 0.00 0.00 14 L 8.01 4.15 0.00 1.73 1.78 0.97 1.48 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 15 A 8.25 4.13 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 16 E 8.30 4.00 0.00 2.35 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 0.00 2.38 2.49 0.00 17 W 8.88 4.25 0.00 3.55 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 9.02 4.37 0.00 3.52 3.39 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 19 G 8.14 3.64 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 0.00 20 L 7.86 3.93 0.00 1.50 1.69 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.33 3.30 1.67 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.16 0.66 0.00 0.00 22 A 7.82 3.99 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 23 R 7.87 4.10 0.00 1.95 1.94 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 24 R 7.79 3.69 0.00 1.97 1.85 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 1.49 1.41 0.00 25 D 7.86 4.53 0.00 2.49 2.49 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 26 L 8.04 4.52 0.00 1.84 1.57 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.00 4.17 0.00 3.91 3.96 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 28 G 7.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.74 4.11 0.00 1.89 1.84 1.34 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.30 0.00 2.23 2.10 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 2.11 2.08 0.00 31 R 7.56 3.96 0.00 1.91 2.06 0.00 3.27 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 32 L 8.24 4.33 0.00 2.00 1.88 1.19 0.63 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 33 L 7.29 4.90 0.00 1.82 1.64 0.97 1.28 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 34 H 9.06 4.46 0.00 3.24 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.21 0.00 2.25 2.29 0.00 3.24 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 36 D 8.15 4.98 0.00 2.77 2.75 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 37 A 8.09 4.38 1.44 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 0.00 0.00 38 V 8.72 4.87 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 1.11 0.00 0.00 0.97 0.00 0.00 39 F 9.33 5.32 0.00 3.14 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 40 R 8.37 4.73 0.00 1.62 1.77 0.00 3.13 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 41 S 8.56 4.52 0.00 4.40 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.45 0.00 2.32 2.36 0.00 4.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 *44 A 7.80 4.15 1.33 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 0.00 0.00 45 H 8.94 4.21 0.00 3.16 3.31 0.00 5.72 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 46 K 7.98 3.85 0.00 1.77 1.64 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 P 0.00 4.72 0.00 2.10 2.09 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 48 Y 9.42 4.60 0.00 3.11 3.01 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 49 A 8.63 4.67 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 50 G 9.50 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.12 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.15 0.00 2.03 2.12 0.00 3.65 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 2.03 2.15 0.00 53 V 7.67 3.69 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 0.95 0.00 0.00 1.05 0.00 0.00 54 V 7.85 3.62 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 1.15 0.00 0.00 55 S 7.95 4.17 0.00 3.98 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 *57 I 7.68 3.73 0.95 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.12 0.20 0.00 0.00 58 L 7.36 3.63 0.00 1.54 1.62 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.07 4.22 0.00 2.73 2.75 0.00 0.00 7.04 6.53 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 60 T 7.40 3.74 4.17 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 1.08 0.00 0.00 61 V 7.76 3.20 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 0.72 0.00 0.00 0.80 0.00 0.00 62 L 7.75 3.75 0.00 1.39 1.74 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.31 4.04 4.17 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 1.17 0.00 0.00 64 V 7.13 3.70 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 0.71 0.00 0.00 0.82 0.00 0.00 65 F 7.38 4.72 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 66 E 9.17 4.76 0.00 2.21 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 2.25 2.29 0.00 67 D 8.77 4.56 0.00 2.84 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 68 F 8.33 4.35 0.00 2.94 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 69 A 7.97 4.57 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 70 Y 8.48 4.88 0.00 2.98 2.85 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 71 H 9.78 4.82 0.00 3.12 2.76 0.00 5.65 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.84 4.26 0.00 1.91 1.86 0.00 3.06 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 73 Q 8.60 5.00 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 74 L 9.08 4.92 0.00 1.58 1.51 0.92 0.92 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 75 A 8.49 5.33 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 76 S 9.00 4.43 0.00 3.89 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 77 A 8.70 4.05 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 78 D 8.15 4.48 0.00 2.80 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 79 G 8.30 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 80 R 8.36 4.74 0.00 2.08 2.19 0.00 3.10 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 81 S 8.33 5.38 0.00 3.76 3.67 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 82 V 8.75 4.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 83 V 8.99 4.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 84 L 9.00 4.82 0.00 1.77 1.26 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.22 4.65 0.00 2.05 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 0.00 2.31 2.20 0.00 86 F 9.21 5.50 0.00 2.13 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 87 S 8.38 5.17 0.00 3.86 3.96 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 88 A 8.17 5.10 1.03 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 0.00 0.00 89 R 8.96 5.08 0.00 2.03 2.02 0.00 3.03 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 90 V 9.05 4.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.16 0.00 0.00 91 G 8.97 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.27 4.05 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 2.34 0.00 93 R 7.93 4.29 0.00 2.20 1.91 0.00 3.24 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 94 E 8.73 4.85 0.00 1.86 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 0.00 2.31 2.32 0.00 95 L 9.19 5.05 0.00 1.88 1.84 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.91 4.71 0.00 1.75 1.51 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.25 7.81 97 G 8.10 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 98 I 7.85 5.23 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.84 0.00 0.00 99 D 9.21 5.47 0.00 2.85 2.46 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 0.00 *101 I 7.97 3.78 1.20 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 -0.13 0.00 0.00 102 R 8.29 4.75 0.00 1.75 1.63 0.00 3.00 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 103 F 9.13 5.37 0.00 2.87 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 0.00 104 D 8.87 4.80 0.00 2.92 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 0.00 105 D 8.68 4.39 0.00 2.71 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 0.00 106 D 8.24 4.52 0.00 2.82 2.73 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 0.00 107 G 8.27 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 0.00 108 R 8.43 4.39 0.00 2.22 1.96 0.00 3.33 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 109 I 9.00 3.99 1.91 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 0.85 0.79 0.86 0.00 0.00 110 V 8.77 4.14 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 0.74 0.00 0.00 0.91 0.00 0.00 111 D 7.71 5.13 0.00 2.61 2.35 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 0.00 112 F 9.50 4.73 0.00 3.06 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 0.00 113 E 8.66 4.89 0.00 1.91 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 2.14 2.18 0.00 114 V 8.00 5.31 2.28 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 1.64 0.00 0.00 1.53 0.00 0.00 *116 V 8.11 4.27 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 1.02 0.00 0.00 1.31 0.00 0.00 117 R 8.93 4.58 0.00 1.81 1.93 0.00 2.78 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 118 P 0.00 4.09 0.00 2.25 2.06 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 *120 S 9.17 4.39 0.00 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.06 3.61 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 0.00 0.00 0.00 122 L 7.93 4.04 0.00 1.85 1.72 1.03 1.04 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 0.00 123 Q 8.21 4.00 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 124 A 7.92 4.00 1.46 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 0.00 0.00 0.00 125 L 7.99 3.97 0.00 1.78 2.00 0.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.15 3.86 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 0.00 0.00 0.00 127 E 8.30 4.20 0.00 2.32 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 2.34 2.34 0.00 128 E 8.12 4.01 0.00 2.25 1.86 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 2.29 2.33 0.00 *130 G 8.11 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.99 3.89 0.00 1.96 2.13 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 132 R 8.16 4.00 0.00 1.98 1.91 0.00 3.13 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 133 L 7.22 4.31 0.00 1.67 1.51 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.92 4.52 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 0.00 135 S 7.65 4.19 0.00 3.59 3.56 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 * Residues marked with a * may have inaccurate shift predictions.