NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9614 8.0544 120.3921 62.8834 32.5999 174.1639 2 H 4.6049 8.8176 126.8012 53.8890 31.1710 171.3505 3 L 4.7424 7.7789 127.2029 52.8380 44.8230 176.8085 4 T 4.1090 8.4655 113.5627 60.6023 70.8500 173.7787 5 P 4.2048 0.0000 0.0000 66.4624 30.9473 178.3621 6 E 3.9389 8.0688 117.5940 59.0497 29.3656 179.0682 7 E 3.8571 7.8942 118.1239 59.2098 29.4791 179.1142 8 K 3.7369 8.2929 120.0446 59.7326 32.1014 178.9015 9 S 4.0652 8.1111 114.9331 61.4690 62.8125 176.4131 10 A 3.9585 7.9220 123.4415 55.1656 18.0517 179.9235 11 V 3.3137 7.8630 116.9338 66.3677 31.7101 178.4338 12 T 3.9451 8.2221 109.7707 64.6417 68.3405 176.3142 13 A 3.9921 8.1478 123.1735 54.9295 18.7694 179.0736 14 L 3.8685 7.8801 118.4449 57.9440 42.1760 178.8236 15 W 4.4476 8.7959 128.7037 60.5790 30.3903 178.1387 16 G 3.7761 8.1579 104.5030 46.9298 0.0000 174.7645 17 K 4.4404 7.6697 118.3285 55.3882 32.7317 176.6520 18 V 3.7929 6.9288 120.7496 62.0185 32.0344 176.0782 19 N 4.4381 8.4449 125.2955 53.0042 38.2703 175.0277 20 V 3.4325 8.1834 127.6208 66.0649 31.5714 176.7925 21 D 4.5079 8.2808 117.7096 56.1881 41.1756 177.4357 22 E 4.4376 7.8827 117.6168 57.7179 31.1573 178.1474 23 V 3.5868 8.0074 118.6885 65.9749 31.4304 178.3564 24 G 3.7308 8.0425 105.0697 47.7886 0.0000 175.8322 25 G 3.6091 7.9847 107.7617 47.2699 0.0000 175.3931 26 E 3.8707 8.0928 121.0773 58.8933 29.6299 178.7523 27 A 3.8856 7.9608 120.7686 55.0985 18.5202 179.2879 28 L 3.9559 8.0753 118.9465 58.1788 42.1616 179.2937 29 G 3.5804 8.1674 105.6516 48.0836 0.0000 175.8371 30 R 3.8812 8.1152 121.0865 58.4994 29.9255 178.8687 31 L 4.0094 7.9691 120.2530 58.3595 42.0016 179.1499 32 L 3.9722 7.7639 120.1127 56.9569 41.2205 179.8074 33 V 3.5367 7.3421 117.4984 65.9160 31.6828 178.0672 34 V 3.5329 7.8654 116.8853 64.3448 32.7045 175.5244 35 Y 4.0143 7.4314 116.8352 53.9501 38.0544 173.9836 36 P 4.5486 0.0000 0.0000 64.4051 31.6318 178.3623 37 W 4.3992 7.9808 116.4366 59.3555 27.6065 178.0135 38 T 4.3071 7.4972 110.8395 64.6183 68.0196 176.4008 39 Q 4.1729 8.1225 121.4125 58.8837 28.4323 178.3202 40 R 3.7830 7.7109 118.6670 59.3518 29.9855 177.7499 41 F 4.3389 7.9766 115.1545 58.0051 39.3181 176.0649 42 F 4.5963 8.0357 118.3039 56.7114 39.9079 177.3001 43 E 4.0228 8.4722 123.4354 59.7528 29.3115 179.0611 44 S 4.5125 8.0947 109.8442 59.3531 63.2891 174.5079 45 F 4.5449 8.6454 120.1171 58.2275 39.9886 176.1937 46 G 3.9522 7.5911 105.2495 44.3261 0.0000 175.1965 47 D 4.5974 8.5798 126.7846 53.8370 40.5683 175.6954 48 L 4.8533 8.2262 127.7100 54.3318 42.6997 178.3768 49 S 4.2959 8.1776 116.3984 60.9848 62.8082 174.8339 50 T 4.7331 7.4193 109.3240 57.9599 73.0107 172.6246 51 P 4.3217 0.0000 0.0000 66.0812 31.3370 178.6109 52 D 4.3049 8.0729 116.6331 57.4026 40.5787 178.6399 53 A 3.9956 7.8397 120.0848 54.9548 18.5141 179.6540 54 V 3.6659 8.8448 117.4854 66.6278 31.5072 178.2628 55 M 4.1577 8.7107 118.1310 57.8762 31.8511 178.2355 56 G 3.9254 7.8273 103.7507 44.1248 0.0000 173.5656 57 N 4.3575 7.5621 121.3180 53.1201 39.4680 173.7637 58 P 4.2690 0.0000 0.0000 65.9885 31.4026 178.7210 59 K 3.7213 8.1725 117.9985 58.6074 31.7589 179.4886 60 V 3.8332 7.7378 118.5739 65.7548 31.4268 178.0724 61 K 4.0009 8.0729 118.0464 59.1756 31.6439 179.3077 62 A 4.0015 8.0271 120.4650 55.4946 18.7232 178.8278 63 H 4.4281 8.5850 117.1168 59.3406 29.9165 177.4050 64 G 3.8079 8.3260 107.5997 48.1011 0.0000 175.7334 65 K 4.0671 7.8921 120.5821 58.9738 32.1369 179.6511 66 K 3.9997 7.9499 118.8273 59.3524 31.9853 179.4209 67 V 3.6904 7.7675 117.9324 66.1211 31.5911 177.5881 68 L 4.4590 8.3709 120.2345 58.3040 42.0321 178.9683 69 G 3.8581 8.5561 105.5559 47.9973 0.0000 175.4826 70 A 4.0996 8.0804 122.5099 55.0216 18.4419 179.7498 71 F 4.0715 8.4781 116.4259 60.7199 38.9345 178.1342 72 S 4.0890 8.5791 114.9407 61.6127 62.4589 176.2818 73 D 4.4742 7.9417 120.4062 57.3139 40.8745 178.8425 74 G 3.9249 8.1049 106.0137 47.9986 0.0000 175.5735 75 L 3.8668 7.6547 120.2526 57.3447 41.6984 179.1465 76 A 4.1390 7.7630 118.5414 53.6254 19.5022 176.9879 77 H 4.9386 8.0614 115.0639 54.6558 29.7253 175.1998 78 L 4.0696 7.9376 119.3357 57.4391 42.2409 178.9699 79 D 4.4269 8.1820 117.6984 56.7465 41.9695 175.8825 80 N 5.0440 8.0959 115.5821 51.4329 39.0005 174.5412 81 L 4.1292 7.8343 122.9296 57.7318 42.1487 179.2454 82 K 3.9791 8.0842 117.0693 59.4876 32.3175 179.0519 83 G 3.7170 8.1415 105.1733 48.2482 0.0000 175.5616 84 T 3.7272 7.8239 117.3183 65.4632 68.6399 175.7322 85 F 4.5722 8.1696 117.3792 56.9598 39.4301 177.2514 86 A 4.0032 7.6662 122.9309 55.9897 18.1399 180.7848 87 T 3.8768 7.8006 113.3721 66.7436 68.6034 176.9441 88 L 4.0887 7.8823 120.5405 57.5578 41.4925 179.0837 89 S 4.2253 8.3110 114.1230 60.7324 62.2196 175.4628 90 E 4.2207 8.0144 121.3297 59.2929 29.2750 178.4104 91 L 3.9939 7.9134 120.0449 58.6014 42.1911 178.3721 92 H 4.3302 8.2194 113.1858 57.6044 28.1756 176.7628 *94 D 4.5561 7.8308 120.8110 53.9690 42.5516 176.7081 95 K 4.2035 7.6147 115.5721 58.0989 33.4948 177.5743 96 L 4.3238 7.9907 118.2126 54.4662 42.6383 175.9803 97 H 4.0768 7.9499 113.5638 56.6982 25.6929 175.1207 98 V 3.7227 7.9407 119.0660 61.8388 32.3260 174.9966 99 D 4.3492 8.5690 126.9477 53.5113 41.8973 175.1272 100 P 3.2206 0.0000 0.0000 65.1661 31.7915 178.1439 101 E 3.9312 8.7076 119.1398 59.1331 29.4400 178.5193 102 N 4.4034 7.9956 116.5559 55.8939 38.4561 177.3239 103 F 4.5237 7.5471 119.7456 60.4101 38.9280 177.6136 104 R 3.9442 7.9917 117.9905 59.2770 29.9504 178.2043 105 L 3.8668 7.6445 118.4118 57.8269 41.5550 179.2928 106 L 4.1231 7.9656 119.9396 58.2296 42.1839 179.1363 107 G 3.8047 8.2690 105.6549 48.0509 0.0000 175.4255 108 N 4.4449 8.4632 118.8555 56.1006 38.5859 177.7296 109 V 3.6423 8.1118 119.8359 65.7852 31.5168 177.8105 110 L 3.8074 8.1756 120.4043 58.0123 41.8652 179.0228 111 V 3.4347 7.6249 117.8216 66.3129 31.3728 177.7126 112 C 4.0210 8.0595 116.3034 62.8539 27.9184 176.3916 113 V 3.4271 7.6407 119.7828 65.7168 30.9913 178.1141 114 L 3.7087 7.7442 118.6789 57.5891 41.3958 179.3531 115 A 3.6848 7.2605 120.6328 55.1823 18.0616 179.0040 116 H 4.0855 8.0253 115.9679 59.7853 29.9493 177.0062 117 H 4.0165 7.7166 116.5385 58.6964 28.9777 177.3220 118 F 4.6135 8.4081 118.2254 57.2510 39.4649 177.2282 119 G 3.8282 8.7848 108.8661 46.0533 0.0000 177.3174 120 K 4.0606 8.8830 121.9399 59.3691 32.4756 178.2235 121 E 4.0994 8.1408 118.7907 58.8150 29.8550 177.5245 122 F 4.5096 8.1366 123.4939 56.9932 37.8452 175.2915 123 T 4.2014 7.2895 115.6339 60.1059 71.3880 173.5412 124 P 4.2251 0.0000 0.0000 65.7098 31.2034 177.1941 125 P 4.2760 0.0000 0.0000 65.4531 31.3139 178.9185 126 V 3.5285 7.2795 116.9861 65.6838 31.3120 177.9344 127 Q 3.6088 8.3574 119.7770 58.9298 28.4299 177.8405 128 A 3.9678 8.3293 122.0298 55.2757 18.2826 179.5082 129 A 3.8880 7.7440 118.9845 55.6044 18.4252 179.5272 130 Y 3.9372 7.9518 114.9948 61.2857 38.0205 178.8372 131 Q 4.1296 8.5646 119.2267 58.7667 28.7579 179.0076 132 K 4.0217 7.7358 119.1865 59.1657 31.9992 179.4822 133 V 3.5521 7.5672 118.2244 66.3170 31.4751 178.6342 134 V 3.8567 8.1975 111.8801 64.2992 31.2715 178.5429 135 A 4.1141 8.1503 120.7563 54.8262 18.1691 179.8424 136 G 3.4928 8.0632 104.2633 47.9661 0.0000 175.9469 137 V 3.0162 7.9481 121.5799 65.2443 31.5806 177.8275 138 A 3.8792 7.9991 120.4357 55.2787 18.3421 179.3953 139 N 4.2865 8.3365 114.7698 56.4853 38.4255 177.5913 140 A 4.0012 7.7686 120.9622 55.0845 18.3866 179.4042 141 L 3.8013 7.6927 117.3574 57.2757 41.3493 178.7633 142 A 4.5742 7.6325 118.2257 53.2245 18.8522 178.1553 143 H 4.1004 7.5018 116.5597 58.6143 29.9205 174.6259 144 K 4.1723 7.9603 123.2337 56.4102 32.2081 175.8271 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 V 8.05 3.96 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 0.91 0.00 0.00 0.96 0.00 0.00 2 H 8.82 4.60 0.00 3.18 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.78 4.74 0.00 1.50 1.41 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.47 4.11 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 5 P 0.00 4.20 0.00 2.26 2.35 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 6 E 8.07 3.94 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 2.37 2.33 0.00 7 E 7.89 3.86 0.00 2.18 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 2.27 2.26 0.00 8 K 8.29 3.74 0.00 1.81 1.75 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.57 7.81 9 S 8.11 4.07 0.00 3.90 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 10 A 7.92 3.96 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 11 V 7.86 3.31 1.93 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 0.65 0.00 0.00 0.24 0.00 0.00 12 T 8.22 3.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 A 8.15 3.99 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 14 L 7.88 3.87 0.00 1.95 1.92 0.46 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.80 4.45 0.00 3.77 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 16 G 8.16 3.78 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 0.00 0.00 0.00 17 K 7.67 4.44 0.00 1.92 2.10 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.51 1.52 7.81 18 V 6.93 3.79 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.84 0.00 0.00 19 N 8.44 4.44 0.00 2.72 2.64 0.00 0.00 6.82 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 20 V 8.18 3.43 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 0.93 0.00 0.00 0.85 0.00 0.00 21 D 8.28 4.51 0.00 2.88 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 22 E 7.88 4.44 0.00 1.90 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 2.25 2.22 0.00 23 V 8.01 3.59 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 0.79 0.00 0.00 0.86 0.00 0.00 24 G 8.04 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 25 G 7.98 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 26 E 8.09 3.87 0.00 2.19 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 2.25 2.29 0.00 27 A 7.96 3.89 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 28 L 8.08 3.96 0.00 1.78 1.65 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.12 3.88 0.00 2.01 1.92 0.00 3.06 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 31 L 7.97 4.01 0.00 1.81 1.87 1.03 0.58 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 32 L 7.76 3.97 0.00 1.83 1.65 0.69 0.76 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 33 V 7.34 3.54 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 0.70 0.00 0.00 0.90 0.00 0.00 34 V 7.87 3.53 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 -0.01 0.00 0.00 0.75 0.00 0.00 35 Y 7.43 4.01 0.00 2.47 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 36 P 0.00 4.55 0.00 2.29 2.27 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 2.17 1.88 0.00 37 W 7.98 4.40 0.00 3.64 3.60 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 38 T 7.50 4.31 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 39 Q 8.12 4.17 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 40 R 7.71 3.78 0.00 1.80 1.68 0.00 3.08 0.00 0.00 2.80 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 41 F 7.98 4.34 0.00 2.64 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 42 F 8.04 4.60 0.00 2.82 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 0.00 0.00 0.00 0.00 43 E 8.47 4.02 0.00 2.04 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 0.00 2.42 2.31 0.00 44 S 8.09 4.51 0.00 4.16 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 45 F 8.65 4.54 0.00 3.25 3.22 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 46 G 7.59 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.58 4.60 0.00 2.65 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 48 L 8.23 4.85 0.00 1.67 1.63 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.18 4.30 0.00 3.98 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 0.00 50 T 7.42 4.73 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 51 P 0.00 4.32 0.00 2.14 2.11 0.00 3.58 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 2.09 2.16 0.00 52 D 8.07 4.30 0.00 2.67 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 53 A 7.84 4.00 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 54 V 8.84 3.67 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 1.03 0.00 0.00 0.95 0.00 0.00 55 M 8.71 4.16 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.92 0.00 56 G 7.83 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 57 N 7.56 4.36 0.00 2.93 2.87 0.00 0.00 6.78 8.80 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 58 P 0.00 4.27 0.00 2.25 2.26 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.17 3.72 0.00 1.32 0.89 0.00 1.52 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.24 1.27 7.81 60 V 7.74 3.83 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 1.05 0.00 0.00 1.08 0.00 0.00 61 K 8.07 4.00 0.00 1.86 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.58 7.81 62 A 8.03 4.00 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 63 H 8.59 4.43 0.00 3.75 3.60 0.00 5.81 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 64 G 8.33 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 65 K 7.89 4.07 0.00 1.95 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.62 7.81 66 K 7.95 4.00 0.00 1.96 1.89 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.63 7.81 67 V 7.77 3.69 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 1.29 0.00 0.00 1.04 0.00 0.00 68 L 8.37 4.46 0.00 2.10 1.80 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.56 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 70 A 8.08 4.10 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.07 0.00 3.50 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 72 S 8.58 4.09 0.00 4.26 4.12 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 73 D 7.94 4.47 0.00 2.74 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 74 G 8.10 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 75 L 7.65 3.87 0.00 1.61 1.53 -0.40 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.76 4.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.06 4.94 0.00 3.11 3.16 0.00 5.63 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 78 L 7.94 4.07 0.00 1.60 1.71 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.18 4.43 0.00 2.62 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 80 N 8.10 5.04 0.00 2.77 2.59 0.00 0.00 7.26 6.08 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 81 L 7.83 4.13 0.00 1.76 1.80 0.88 1.40 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 82 K 8.08 3.98 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.87 1.38 7.81 83 G 8.14 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 0.00 0.00 0.00 84 T 7.82 3.73 4.21 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 0.59 0.00 0.00 85 F 8.17 4.57 0.00 3.06 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 86 A 7.67 4.00 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 87 T 7.80 3.88 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 1.21 0.00 0.00 88 L 7.88 4.09 0.00 1.96 1.80 1.09 0.90 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 89 S 8.31 4.23 0.00 3.98 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 90 E 8.01 4.22 0.00 2.30 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 0.00 2.32 2.65 0.00 91 L 7.91 3.99 0.00 1.82 1.84 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.22 4.33 0.00 3.35 3.63 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 D 7.83 4.56 0.00 2.85 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 95 K 7.61 4.20 0.00 1.84 1.91 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.53 7.81 96 L 7.99 4.32 0.00 1.81 1.77 0.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.95 4.08 0.00 3.44 3.45 0.00 5.69 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.94 3.72 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 0.26 0.00 0.00 0.28 0.00 0.00 99 D 8.57 4.35 0.00 2.76 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 0.00 100 P 0.00 3.22 0.00 2.15 2.13 0.00 3.54 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 101 E 8.71 3.93 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 102 N 8.00 4.40 0.00 2.64 2.82 0.00 0.00 6.90 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 0.00 103 F 7.55 4.52 0.00 3.10 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 R 7.99 3.94 0.00 2.04 1.93 0.00 3.30 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 105 L 7.64 3.87 0.00 1.72 1.22 0.55 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.97 4.12 0.00 1.92 1.97 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.27 3.80 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 0.00 0.00 0.00 108 N 8.46 4.44 0.00 3.09 2.95 0.00 0.00 6.65 7.23 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 0.00 109 V 8.11 3.64 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 1.01 0.00 0.00 1.16 0.00 0.00 110 L 8.18 3.81 0.00 1.60 1.64 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.62 3.43 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 1.28 0.00 0.00 1.13 0.00 0.00 112 C 8.06 4.02 0.00 3.16 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 0.00 113 V 7.64 3.43 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 0.89 0.00 0.00 114 L 7.74 3.71 0.00 1.03 0.96 0.42 0.94 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 0.00 115 A 7.26 3.68 1.31 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 0.00 0.00 116 H 8.03 4.09 0.00 3.18 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.72 4.02 0.00 2.76 2.41 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.41 4.61 0.00 3.27 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 0.00 119 G 8.78 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.88 4.06 0.00 1.92 2.01 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 121 E 8.14 4.10 0.00 2.48 2.17 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 2.39 2.33 0.00 122 F 8.14 4.51 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.29 4.20 4.21 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 1.29 0.00 0.00 124 P 0.00 4.23 0.00 2.15 2.15 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.28 0.00 2.10 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.28 3.53 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 0.91 0.00 0.00 0.87 0.00 0.00 127 Q 8.36 3.61 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 128 A 8.33 3.97 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 0.00 129 A 7.74 3.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.95 3.94 0.00 3.44 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 0.00 131 Q 8.56 4.13 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 132 K 7.74 4.02 0.00 1.88 1.84 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.57 3.55 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 1.12 0.00 0.00 0.81 0.00 0.00 134 V 8.20 3.86 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 0.88 0.00 0.00 1.12 0.00 0.00 135 A 8.15 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.06 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 0.00 137 V 7.95 3.02 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 0.01 0.00 0.00 0.67 0.00 0.00 138 A 8.00 3.88 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 0.00 139 N 8.34 4.29 0.00 2.84 2.88 0.00 0.00 6.94 7.94 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 0.00 140 A 7.77 4.00 1.24 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 0.00 0.00 0.00 141 L 7.69 3.80 0.00 1.09 0.40 0.04 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.63 4.57 1.53 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 0.00 143 H 7.50 4.10 0.00 3.23 3.50 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.96 4.17 0.00 1.82 1.69 0.00 1.94 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.