NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1554 8.2649 123.5772 52.0658 20.3025 176.7092 *2 Y 4.9467 7.9455 117.6152 57.5855 40.4784 176.1669 3 L 3.8799 8.9966 124.6945 58.3600 42.2025 179.6062 4 A 3.5102 7.5870 120.4832 54.9757 18.0688 179.3134 5 E 3.7257 7.6286 116.2563 59.5264 29.5418 179.3258 6 A 3.9635 7.7423 120.2323 55.1602 18.4796 179.6705 7 L 3.8864 7.8553 117.2708 57.6606 41.6327 179.6391 8 A 3.9531 7.7918 120.2572 55.3206 18.3292 179.4621 9 Q 3.9376 8.0585 116.5416 59.2578 28.7210 179.0885 10 R 3.8262 8.0200 119.3644 59.5667 30.0000 178.1851 11 V 3.5522 7.5545 117.1973 66.2180 31.3868 177.4090 12 E 3.8777 8.2781 118.2565 59.3351 29.4373 178.3986 13 A 4.0212 8.2416 120.8294 55.6539 18.5223 179.7551 14 Q 4.0240 8.3614 116.1862 58.6142 28.6545 179.3057 15 R 3.9278 7.7499 119.8667 59.3588 30.1411 178.4441 16 R 3.9277 8.3055 118.2680 59.5215 30.0335 177.9977 17 Y 4.1308 8.6497 119.4417 61.1572 38.8598 178.1444 18 S 4.0292 8.5011 113.6335 61.6233 62.3412 176.2934 19 E 3.9509 8.2411 120.9474 59.3533 29.2832 179.0085 20 L 3.8949 8.5974 119.8280 57.8653 41.3866 178.8838 21 N 3.9998 8.5472 117.6841 56.8128 38.8419 176.4747 22 Q 3.9280 7.7797 120.0489 59.0871 29.1429 177.4886 23 L 3.8541 7.9506 121.3103 58.3359 41.8162 178.4231 24 L 3.8389 7.7823 118.8698 58.5628 42.3166 178.7780 25 L 4.1093 7.5936 118.1019 57.8269 41.0579 179.3457 26 D 4.3600 7.9859 118.6671 57.2564 40.6647 178.5998 27 V 3.8269 7.8170 116.0561 62.5858 31.7542 177.3463 28 A 4.1421 7.6760 121.3864 53.0653 18.6790 177.5861 29 K 4.6373 7.1953 116.1324 54.3363 35.7359 176.1168 30 V 4.4486 8.0078 121.0331 59.2067 34.6360 174.9832 31 Q 3.7511 9.2717 119.9487 58.1682 27.9787 179.4937 32 E 3.1510 7.3942 121.1053 56.8207 32.9030 177.6531 33 G 4.0734 8.1417 109.2820 48.2650 0.0000 172.0007 34 D 5.1007 7.7452 120.7518 51.9727 40.7553 174.4993 35 Q 4.6573 7.5505 114.9474 53.7460 31.6775 172.6317 36 P 4.6972 0.0000 0.0000 61.5216 32.8949 175.9629 37 A 4.0379 8.3016 125.2993 54.8657 18.5471 176.8582 38 E 4.6513 7.7665 111.4377 54.0752 33.4007 175.1965 39 N 4.6956 8.4020 117.4619 52.7340 39.7249 172.9120 40 P 3.9941 0.0000 0.0000 66.6016 31.4422 177.6991 41 H 4.1420 8.1509 114.3968 59.0952 28.6277 177.7923 42 E 3.9280 8.1598 119.8436 59.5573 29.5875 179.0609 43 I 3.6374 7.9946 120.1559 64.3960 37.1668 178.1760 44 L 3.9209 8.5566 121.5359 58.4242 41.9321 179.2361 45 T 4.5940 7.6549 110.8350 64.4002 68.7736 176.1512 46 E 3.9471 8.4393 121.6742 59.1753 29.3515 179.3109 47 L 3.9233 7.7861 119.6265 58.2662 42.2351 178.8643 48 E 4.0164 8.2786 118.1903 59.1018 29.3759 179.2541 49 E 4.0545 8.2011 119.0388 58.9850 29.5856 178.7868 50 L 4.0249 7.7698 118.5524 58.3013 41.6764 179.3413 51 T 4.1824 8.3021 115.9202 67.3036 68.2136 176.6750 52 T 3.8813 7.8736 110.6904 64.2608 68.5774 176.5027 53 R 3.8100 7.7473 121.6403 59.3183 30.2341 178.0551 54 I 3.6524 8.4889 120.7396 64.7850 37.1482 178.2218 55 N 4.3210 8.3613 116.9006 56.0474 38.1457 176.9833 56 D 4.2371 7.5513 119.5133 57.3202 41.3611 177.8958 57 L 3.9211 7.7076 119.1228 57.9393 41.5631 179.8922 58 V 3.6269 7.9097 117.8111 66.1925 31.4972 178.1673 59 R 3.8088 7.7459 117.3463 59.3674 29.8242 179.3655 60 R 3.8695 8.2061 117.7210 59.2900 30.0755 178.7523 61 I 3.6421 8.3029 120.1890 64.7552 37.3046 177.6945 62 N 4.2174 8.8080 117.5295 56.9390 38.2456 177.5884 63 R 3.9675 8.1339 118.2344 59.4707 30.3608 179.0319 64 T 4.0678 8.2160 109.8241 64.7401 69.0032 176.4733 65 N 4.3383 8.5162 119.9120 55.7163 38.2941 176.3783 66 S 4.6332 7.5811 112.5542 58.3310 63.4912 174.8271 67 V 4.3390 7.3372 120.2102 63.3269 33.6092 175.7064 68 T 4.1479 8.2539 118.2459 62.8613 68.8478 173.2606 69 E 4.6387 8.6494 124.7984 55.3893 30.7763 175.9258 70 F 4.3414 8.8940 126.2473 60.2315 40.0310 174.6600 71 S 4.2749 7.8451 111.7041 57.1312 64.8617 172.8096 72 E 3.7124 7.9215 122.2757 57.2034 28.8621 175.1637 73 G 3.5098 8.3427 116.4892 46.1736 0.0000 171.5697 *75 T 4.3013 7.2598 112.7884 61.6500 71.7058 174.7574 76 L 3.9958 8.5550 122.4758 57.9368 41.6881 179.0507 77 A 3.9550 7.9149 120.8030 55.0229 18.2799 179.3529 78 D 4.2463 8.2307 117.5542 57.4285 40.8229 178.8367 79 A 3.7211 7.6168 120.9025 54.6851 18.3115 179.5137 80 L 3.8200 7.9297 118.0595 58.1142 41.6381 179.9863 81 S 4.3163 7.7355 113.7129 61.1606 63.0165 176.4514 82 V 3.5266 7.6481 121.8704 65.9532 31.2152 177.9264 83 R 3.9280 8.1674 118.4186 59.4758 29.7721 178.2587 84 D 4.3481 8.0093 118.1338 57.4322 40.8162 178.4756 85 A 3.9798 8.2616 121.4743 55.3354 18.3272 179.7226 86 L 3.9850 8.3250 117.6638 57.5942 41.6790 179.5096 87 L 3.5408 7.9889 120.3281 57.9181 42.1183 178.5325 88 K 3.7126 8.1006 119.8693 59.6435 32.1231 178.3368 89 K 3.7728 8.2100 119.5501 59.4763 32.2045 178.6883 90 R 3.9807 8.4073 119.3441 59.7281 29.9474 178.3782 91 T 3.7987 8.3062 115.8266 66.5877 68.4753 175.8003 92 L 3.7987 7.7323 121.9296 58.7799 41.9221 178.8194 93 Y 4.2707 7.6008 115.7855 61.0805 37.7814 178.6886 94 S 4.1676 8.2561 116.1510 61.6933 63.0698 176.5204 95 D 4.5086 8.1905 122.8291 56.7544 40.3798 178.4620 96 L 3.9425 7.7948 119.1787 58.1443 42.3305 178.6419 97 A 4.1703 8.3946 121.1134 55.2456 18.2389 178.9557 98 D 4.6915 8.0873 117.1509 54.4784 39.4452 177.6328 99 Q 4.1663 7.7643 120.5265 58.2056 29.2706 176.6505 100 L 4.3740 8.1160 119.0414 55.7138 42.0835 176.9546 101 T 4.5094 7.4847 106.9444 63.0606 72.6203 175.3885 102 S 4.1518 9.0980 121.8054 59.6651 60.7602 177.2889 103 R 3.9048 9.5567 133.1912 60.4250 30.0228 180.7176 104 Q 4.1017 8.2102 116.9448 59.4176 28.5341 184.8325 105 D 4.8127 7.6695 117.5902 52.9449 39.2821 178.6660 106 R 4.5180 7.9110 122.8980 55.9013 32.7114 177.7496 *107 Y 4.6800 7.6390 119.9235 58.5470 37.8260 174.7887 108 S 3.9148 7.0241 119.7810 61.5489 63.8925 175.6942 109 R 4.3776 7.6248 114.3167 55.9828 33.3378 173.8681 110 S 4.6708 8.5026 116.5803 57.3101 65.6664 173.8800 111 E 4.4945 8.7042 120.7890 56.1088 29.5634 175.6743 112 I 4.5818 6.9718 118.4148 58.7757 40.8375 175.3395 113 K 4.3869 8.3842 124.9464 56.3128 32.8867 176.1889 114 Y 4.4446 8.4190 118.6347 56.8962 39.3071 175.5334 115 V 4.3924 8.0633 121.2840 60.6853 34.4782 175.0675 116 A 4.1359 8.6399 130.3170 52.7086 18.7493 176.6162 117 T 4.1249 8.4032 116.7736 62.3903 67.5584 174.2059 *119 D 4.3153 7.9360 118.6040 53.6554 42.1499 175.4883 120 A 4.0200 8.4594 129.8351 55.0522 18.4904 178.6750 121 R 3.8249 8.1375 117.3678 59.7893 30.0911 178.6118 122 E 3.9042 8.2173 117.4929 59.4177 29.6061 179.0790 123 I 3.5918 7.6977 119.7509 64.4785 37.1588 178.2365 124 R 3.8878 8.2570 119.7236 59.4508 29.7374 178.2949 125 K 3.8756 7.7719 117.5700 59.7744 32.1366 179.1882 126 K 3.6141 7.9126 118.0409 59.3035 31.7822 179.3420 127 A 4.0369 7.8636 120.7837 55.3964 18.5434 179.1448 128 D 4.3698 8.7117 117.9218 57.6500 40.8600 179.1615 129 L 3.8841 8.3505 120.7223 58.1665 42.3602 178.8154 130 A 4.1311 8.0922 120.3287 54.7118 18.2248 179.4472 131 A 4.0530 7.9998 119.6479 54.9193 18.7756 179.5089 132 K 3.8998 7.8782 117.7334 59.7789 32.2450 178.8155 133 E 3.9888 8.3126 118.6951 59.5522 29.4262 178.3012 134 Y 4.1294 7.8872 119.0349 61.1052 38.7956 178.2865 135 R 3.7997 8.2662 119.1935 59.5071 30.0864 178.0286 136 Q 3.9121 8.2247 119.2147 59.0375 29.0399 177.6542 137 L 3.9786 7.9370 121.1775 58.4158 42.0158 178.6149 138 D 4.0918 8.2104 117.8226 57.3086 41.1481 178.3123 139 V 3.5741 7.7565 118.5685 66.2359 31.5400 177.4949 140 D 4.4357 8.4922 118.9262 57.5979 40.6551 179.1456 141 I 3.9161 8.1591 120.2460 64.6510 36.9536 178.4169 142 Q 4.1839 8.2893 118.0020 58.9612 28.7252 179.0013 143 R 4.0926 8.1544 119.7095 59.4296 30.2712 178.1039 144 L 3.9193 7.9783 120.0992 58.4892 42.0456 178.6077 145 N 4.2614 8.7008 116.5896 55.7987 38.2539 176.3509 146 W 4.6239 8.0392 117.5940 56.4178 29.9162 176.2143 147 Q 4.2147 7.8708 117.5295 55.5628 28.6809 175.7047 148 T 4.5701 7.2169 113.6823 62.9630 72.4901 173.2089 149 E 4.6779 8.8148 125.9572 55.0721 30.4422 176.1247 150 L 3.9777 8.5592 125.9219 55.2271 42.5267 176.6715 151 Q 4.1817 8.6659 124.0152 56.3200 28.6470 176.0292 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 0 A 8.26 4.16 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 *2 Y 7.95 4.95 0.00 2.92 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 3 L 9.00 3.88 0.00 1.67 1.75 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.59 3.51 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.63 3.73 0.00 2.09 1.97 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 2.44 2.27 0.00 6 A 7.74 3.96 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 7 L 7.86 3.89 0.00 1.83 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.79 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.06 3.94 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 10 R 8.02 3.83 0.00 1.98 1.91 0.00 3.09 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 11 V 7.55 3.55 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 12 E 8.28 3.88 0.00 2.14 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 2.33 2.40 0.00 13 A 8.24 4.02 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 14 Q 8.36 4.02 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 15 R 7.75 3.93 0.00 2.02 2.12 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 R 8.31 3.93 0.00 2.10 2.00 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 17 Y 8.65 4.13 0.00 3.12 3.12 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 0.00 0.00 0.00 18 S 8.50 4.03 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 3.95 0.00 2.31 1.97 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 2.33 2.48 0.00 20 L 8.60 3.89 0.00 1.81 1.58 0.95 -0.15 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 21 N 8.55 4.00 0.00 2.51 2.90 0.00 0.00 6.90 5.12 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 22 Q 7.78 3.93 0.00 2.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 23 L 7.95 3.85 0.00 1.76 1.80 0.90 0.38 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 24 L 7.78 3.84 0.00 1.67 1.81 0.86 1.26 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 25 L 7.59 4.11 0.00 1.85 1.68 0.95 0.99 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 26 D 7.99 4.36 0.00 2.87 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 27 V 7.82 3.83 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 0.77 0.00 0.00 0.92 0.00 0.00 28 A 7.68 4.14 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 29 K 7.20 4.64 0.00 1.53 1.66 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.33 7.81 30 V 8.01 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 0.81 0.00 0.00 0.93 0.00 0.00 31 Q 9.27 3.75 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.41 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 32 E 7.39 3.15 0.00 1.96 1.91 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 2.27 2.30 0.00 33 G 8.14 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 34 D 7.75 5.10 0.00 2.76 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 35 Q 7.55 4.66 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 36 P 0.00 4.70 0.00 2.46 2.02 0.00 3.54 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 1.93 2.06 0.00 37 A 8.30 4.04 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 38 E 7.77 4.65 0.00 1.90 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 2.18 2.18 0.00 39 N 8.40 4.70 0.00 2.75 2.93 0.00 0.00 6.85 7.71 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 40 P 0.00 3.99 0.00 2.00 1.93 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 H 8.15 4.14 0.00 3.27 3.37 0.00 5.62 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 42 E 8.16 3.93 0.00 2.29 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 2.33 2.36 0.00 43 I 7.99 3.64 1.98 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 1.38 0.99 0.85 0.00 0.00 44 L 8.56 3.92 0.00 1.80 1.65 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.65 4.59 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 1.34 0.00 0.00 46 E 8.44 3.95 0.00 2.27 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 0.00 2.33 2.33 0.00 47 L 7.79 3.92 0.00 1.94 1.75 0.63 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.28 4.02 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 2.35 2.56 0.00 49 E 8.20 4.05 0.00 2.30 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 2.44 0.00 50 L 7.77 4.02 0.00 2.04 1.87 1.08 0.83 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 51 T 8.30 4.18 4.48 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 1.30 0.00 0.00 52 T 7.87 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 1.22 0.00 0.00 53 R 7.75 3.81 0.00 2.11 2.14 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 54 I 8.49 3.65 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.84 0.00 0.00 55 N 8.36 4.32 0.00 2.74 2.86 0.00 0.00 6.75 8.41 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 56 D 7.55 4.24 0.00 3.01 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 57 L 7.71 3.92 0.00 1.84 1.70 0.91 1.28 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 58 V 7.91 3.63 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 1.00 0.00 0.00 0.93 0.00 0.00 59 R 7.75 3.81 0.00 1.98 1.96 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 60 R 8.21 3.87 0.00 1.97 1.96 0.00 3.30 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 61 I 8.30 3.64 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.88 0.00 0.00 62 N 8.81 4.22 0.00 2.92 2.88 0.00 0.00 7.13 6.76 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 63 R 8.13 3.97 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 64 T 8.22 4.07 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 1.32 0.00 0.00 65 N 8.52 4.34 0.00 2.94 2.89 0.00 0.00 6.69 7.81 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 66 S 7.58 4.63 0.00 4.05 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 67 V 7.34 4.34 2.21 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 0.87 0.00 0.00 0.98 0.00 0.00 68 T 8.25 4.15 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 1.24 0.00 0.00 69 E 8.65 4.64 0.00 2.10 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 2.25 2.29 0.00 70 F 8.89 4.34 0.00 2.98 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 71 S 7.85 4.27 0.00 3.90 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 72 E 7.92 3.71 0.00 1.75 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 2.34 2.36 0.00 73 G 8.34 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 T 7.26 4.30 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 1.31 0.00 0.00 76 L 8.56 4.00 0.00 1.94 1.82 1.04 0.93 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 77 A 7.91 3.96 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 78 D 8.23 4.25 0.00 2.87 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 79 A 7.62 3.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.93 3.82 0.00 1.79 1.69 0.88 0.66 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 81 S 7.74 4.32 0.00 4.02 4.08 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 82 V 7.65 3.53 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 83 R 8.17 3.93 0.00 1.82 2.09 0.00 2.92 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.50 0.00 84 D 8.01 4.35 0.00 2.95 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 85 A 8.26 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.33 3.99 0.00 2.13 1.93 1.04 0.86 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 87 L 7.99 3.54 0.00 1.55 1.72 0.23 0.43 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 88 K 8.10 3.71 0.00 1.97 1.78 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 89 K 8.21 3.77 0.00 1.98 2.05 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.47 7.81 90 R 8.41 3.98 0.00 1.86 1.93 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 91 T 8.31 3.80 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 1.16 0.00 0.00 92 L 7.73 3.80 0.00 1.55 1.53 0.77 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.60 4.27 0.00 3.10 2.90 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 94 S 8.26 4.17 0.00 4.12 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 95 D 8.19 4.51 0.00 2.81 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 96 L 7.79 3.94 0.00 1.74 1.97 0.95 1.03 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 97 A 8.39 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.09 4.69 0.00 2.98 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 99 Q 7.76 4.17 0.00 2.14 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 100 L 8.12 4.37 0.00 1.83 1.72 0.98 0.73 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 0.00 101 T 7.48 4.51 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 1.21 0.00 0.00 102 S 9.10 4.15 0.00 4.02 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 0.00 103 R 9.56 3.90 0.00 1.82 1.89 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 104 Q 8.21 4.10 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.18 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 105 D 7.67 4.81 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.91 4.52 0.00 1.76 1.73 0.00 3.16 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 1.50 1.62 0.00 *107 Y 7.64 4.68 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.02 3.91 0.00 3.89 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 0.00 109 R 7.62 4.38 0.00 1.71 1.84 0.00 3.18 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 110 S 8.50 4.67 0.00 3.94 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 0.00 111 E 8.70 4.49 0.00 1.97 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 2.26 2.28 0.00 112 I 6.97 4.58 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.86 0.00 0.00 113 K 8.38 4.39 0.00 1.80 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.48 7.81 114 Y 8.42 4.44 0.00 2.91 2.89 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 0.00 115 V 8.06 4.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 116 A 8.64 4.14 1.27 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 0.00 0.00 117 T 8.40 4.12 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *119 D 7.94 4.32 0.00 2.78 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 0.00 120 A 8.46 4.02 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 0.00 121 R 8.14 3.82 0.00 1.90 2.14 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 122 E 8.22 3.90 0.00 2.20 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 2.38 2.33 0.00 123 I 7.70 3.59 2.01 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 1.67 1.17 1.08 0.00 0.00 124 R 8.26 3.89 0.00 2.01 1.93 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 125 K 7.77 3.88 0.00 2.00 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 126 K 7.91 3.61 0.00 1.26 0.74 0.00 1.34 0.00 0.00 1.09 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.36 7.81 127 A 7.86 4.04 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 0.00 128 D 8.71 4.37 0.00 2.88 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 0.00 129 L 8.35 3.88 0.00 1.79 1.78 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.09 4.13 1.49 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 0.00 131 A 8.00 4.05 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 0.00 132 K 7.88 3.90 0.00 2.05 1.95 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 133 E 8.31 3.99 0.00 2.14 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 0.00 2.37 2.51 0.00 134 Y 7.89 4.13 0.00 3.16 3.21 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 0.00 135 R 8.27 3.80 0.00 2.22 1.95 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 136 Q 8.22 3.91 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 137 L 7.94 3.98 0.00 1.93 1.65 0.84 1.12 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 0.00 138 D 8.21 4.09 0.00 2.11 2.47 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 0.00 139 V 7.76 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 140 D 8.49 4.44 0.00 3.04 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 0.00 141 I 8.16 3.92 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.90 0.00 0.00 142 Q 8.29 4.18 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 143 R 8.15 4.09 0.00 2.08 2.10 0.00 3.09 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 144 L 7.98 3.92 0.00 2.07 1.81 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.70 4.26 0.00 2.93 2.61 0.00 0.00 6.99 7.53 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 0.00 146 W 8.04 4.62 0.00 3.38 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 0.00 147 Q 7.87 4.21 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 148 T 7.22 4.57 4.19 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 1.21 0.00 0.00 149 E 8.81 4.68 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 150 L 8.56 3.98 0.00 1.58 1.60 0.89 0.78 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 0.00 151 Q 8.67 4.18 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.