NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 F 5.0046 8.3093 122.8319 58.8822 39.4827 174.4188 30 K 4.2320 8.3902 123.3105 56.3094 33.3032 172.3445 31 D 4.8630 8.6660 124.6851 53.0686 42.0853 177.4799 32 L 4.6092 8.4387 121.7621 53.8519 47.4550 175.0584 33 N 4.6848 8.2843 114.0039 53.9378 35.1351 174.4243 34 L 4.8457 7.0465 129.3391 53.4799 41.7368 181.3099 35 T 4.1511 8.4593 122.2143 62.8487 72.5648 172.3814 36 D 4.4480 8.5107 125.0368 57.8008 40.7373 179.4498 37 A 3.9445 7.8849 120.3411 55.2697 18.5155 179.4547 38 Q 3.9137 7.9844 115.6727 59.0773 28.5307 178.8510 39 K 3.8376 8.5741 119.7822 59.8855 32.0562 179.0546 40 Q 4.0315 7.9637 118.9057 59.2185 28.9487 177.9204 41 Q 4.0027 8.3987 119.6814 58.8853 28.5595 178.5859 42 I 3.9441 7.8632 112.3534 62.6354 37.9546 177.9557 43 R 4.0946 7.4533 121.9833 60.0456 30.2947 178.2024 44 E 4.2179 8.3363 118.3118 61.2140 29.4596 182.2796 45 I 3.7623 7.7912 120.9090 62.1472 37.3350 177.9996 *47 K 4.3740 8.1828 123.7702 54.6817 33.7227 180.5141 48 G 3.9475 7.9514 105.0689 46.7405 0.0000 174.1391 49 Q 4.1714 8.0420 123.1763 59.0248 29.4759 178.5348 50 R 4.0868 8.1780 116.1134 58.8000 29.4101 178.8968 51 D 4.8518 8.1280 114.9781 54.5336 41.9414 182.9572 52 Q 4.3534 7.7735 120.5412 54.9512 26.8667 183.4792 *54 K 4.1140 7.5946 122.5158 54.5219 32.6457 178.2988 55 R 4.2034 8.2071 123.2279 54.9092 30.0900 173.4176 56 P 4.6495 0.0000 0.0000 61.7215 32.6699 174.5530 57 P 4.4014 0.0000 0.0000 62.2753 32.2981 177.3061 58 L 3.8922 8.7102 122.6877 58.1872 41.4438 179.5855 59 E 3.9388 8.2738 117.7655 59.7730 29.2285 179.3070 60 E 3.9598 7.9535 116.7535 59.3145 29.5712 179.1273 61 R 4.0763 7.9905 116.6055 59.6070 30.4642 178.4271 62 R 4.1526 8.5489 117.4931 59.3866 30.1227 179.7994 63 A 4.2110 8.0124 117.9442 52.8502 18.1603 178.8105 *65 H 4.6417 8.1262 120.5160 57.9402 31.7282 174.9310 66 D 4.3747 8.5684 118.3426 57.6180 40.9603 178.4442 67 I 3.8187 7.7885 118.3892 64.5385 37.3009 177.7464 68 I 3.9420 7.8922 119.1499 64.1759 37.1060 176.7320 69 A 4.3722 8.1364 125.0044 50.2095 16.9528 175.7668 70 S 4.6380 7.7422 112.8743 56.6906 65.5567 174.4202 71 D 4.5218 8.6998 125.8116 57.5842 40.8014 176.6540 72 T 4.5035 7.5105 110.5617 60.7965 70.4255 172.7915 73 F 4.4872 8.5429 128.3622 56.5927 39.2877 175.8660 74 D 4.3766 7.8505 128.7632 52.8270 40.7251 176.0824 75 K 3.6118 8.2482 127.4341 59.3004 32.3908 177.7082 76 A 3.9362 8.0154 120.4551 55.5130 18.1683 179.5724 77 K 3.8178 7.9855 115.9836 59.4020 31.9846 179.5315 78 A 3.9207 7.8182 121.1069 55.2395 18.3603 179.6104 79 E 3.9031 8.9447 117.5318 59.3006 29.4411 179.3377 80 A 3.9510 8.2724 121.2248 55.2436 18.2391 179.4371 81 Q 3.8807 7.8222 116.5532 59.5533 29.2388 178.3110 82 I 3.8538 7.8222 119.4288 64.1668 37.1389 177.9715 83 A 4.1873 8.3799 121.3787 54.7159 18.3686 180.9461 84 K 4.0310 7.8495 117.8161 56.2105 32.5761 177.8885 *86 E 4.3377 8.1687 118.3535 55.8485 31.6523 176.7539 87 E 3.9990 8.4406 120.7869 60.1684 29.5232 179.3682 88 Q 4.0409 8.1446 122.2119 60.8796 28.1440 180.4599 89 R 4.1403 8.0065 121.1942 61.4419 29.3624 180.1348 90 K 4.1907 7.8403 117.4976 59.5062 32.3502 178.6931 91 A 4.2157 8.1374 120.5237 55.3116 18.1459 180.0423 92 N 4.5928 8.4373 112.7484 53.6993 38.1950 177.0660 *94 L 4.1456 7.8485 122.2527 55.1951 44.0367 177.6468 95 A 4.2774 8.3042 121.4380 55.7597 18.4555 179.7786 96 H 4.4043 8.4598 113.8094 57.3607 30.1341 176.6825 *98 E 4.2453 8.3465 117.7576 56.3845 31.4526 178.1463 99 T 3.8498 8.1651 115.4027 67.0617 68.5259 176.5250 100 Q 4.0363 8.3295 120.0010 59.1498 28.6405 178.8591 101 N 4.2850 8.3065 118.1951 56.4681 38.7549 177.2104 102 K 4.0128 7.9321 118.7023 59.3930 32.5029 178.8129 103 I 3.7918 7.9725 120.1424 64.4700 37.0220 177.4440 104 Y 3.8584 8.0488 120.0947 61.0287 38.3148 178.1313 105 N 4.8578 8.0753 112.3962 53.9311 38.4225 175.6646 106 I 4.2518 7.7416 122.2110 61.4589 38.9653 176.1362 107 L 4.2629 7.5238 120.3484 54.5655 42.1731 176.1284 108 T 4.4796 8.5970 110.5647 59.3089 70.7249 174.1626 109 P 3.6708 0.0000 0.0000 65.2383 31.6204 178.2531 110 E 4.2768 7.9441 115.3240 57.6115 30.5285 178.5180 111 Q 4.0477 7.8767 119.0420 58.6481 29.2916 177.6774 112 K 3.2142 8.7707 123.0183 60.1101 31.9575 180.1093 113 K 4.0929 7.8525 123.8174 59.6973 31.6398 182.2108 114 Q 4.1846 8.0984 121.1028 59.0824 29.1133 177.3860 115 F 4.0370 9.2212 122.7573 61.6651 39.3264 176.5454 116 N 4.4855 8.8330 115.1372 56.5532 38.3483 176.9406 117 A 4.0645 8.0856 122.8887 56.1048 18.7377 179.4559 118 N 4.2802 8.7959 117.9722 57.8063 37.5970 178.5297 119 F 4.1477 8.0590 125.1506 62.1168 39.1847 177.9882 120 E 4.2399 8.3343 118.3576 61.3457 29.5651 181.0550 121 K 4.4438 7.8378 123.9428 59.1644 32.0870 182.8001 122 R 4.4484 7.8567 118.1884 59.4948 29.9703 182.1667 123 L 4.4149 7.0146 116.9637 54.2314 40.7616 176.6219 124 T 3.8570 7.8462 112.5036 62.2719 67.9991 173.4631 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 29 F 8.31 5.00 0.00 2.93 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 30 K 8.39 4.23 0.00 1.84 1.50 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.19 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.64 7.81 31 D 8.67 4.86 0.00 2.72 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 32 L 8.44 4.61 0.00 1.74 1.69 1.08 1.24 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 33 N 8.28 4.68 0.00 2.85 3.18 0.00 0.00 6.95 7.85 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 34 L 7.05 4.85 0.00 1.65 0.88 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.46 4.15 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 1.28 0.00 0.00 36 D 8.51 4.45 0.00 2.68 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 7.88 3.94 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 38 Q 7.98 3.91 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 39 K 8.57 3.84 0.00 1.75 1.90 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 40 Q 7.96 4.03 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 41 Q 8.40 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 42 I 7.86 3.94 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.56 1.02 0.00 0.00 43 R 7.45 4.09 0.00 2.05 2.15 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 44 E 8.34 4.22 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 45 I 7.79 3.76 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.93 0.00 0.00 *47 K 8.18 4.37 0.00 1.71 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 48 G 7.95 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 49 Q 8.04 4.17 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 50 R 8.18 4.09 0.00 1.87 1.84 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 51 D 8.13 4.85 0.00 2.66 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 52 Q 7.77 4.35 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 *54 K 7.59 4.11 0.00 1.79 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 55 R 8.21 4.20 0.00 1.82 1.76 0.00 3.23 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 56 P 0.00 4.65 0.00 2.17 2.08 0.00 3.74 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 1.97 1.98 0.00 57 P 0.00 4.40 0.00 2.20 2.01 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 58 L 8.71 3.89 0.00 1.73 1.75 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.27 3.94 0.00 1.97 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 2.41 2.37 0.00 60 E 7.95 3.96 0.00 2.05 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 2.35 2.50 0.00 61 R 7.99 4.08 0.00 1.99 2.01 0.00 3.23 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 62 R 8.55 4.15 0.00 1.99 2.02 0.00 3.13 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 1.66 1.87 0.00 63 A 8.01 4.21 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 *65 H 8.13 4.64 0.00 3.34 3.55 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.57 4.37 0.00 2.79 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 67 I 7.79 3.82 1.87 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 1.21 0.55 0.76 0.00 0.00 68 I 7.89 3.94 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.93 0.00 0.00 69 A 8.14 4.37 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 70 S 7.74 4.64 0.00 3.95 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 71 D 8.70 4.52 0.00 2.69 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 72 T 7.51 4.50 4.27 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 1.22 0.00 0.00 73 F 8.54 4.49 0.00 2.97 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 74 D 7.85 4.38 0.00 2.60 2.34 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 75 K 8.25 3.61 0.00 1.96 1.80 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.76 7.81 76 A 8.02 3.94 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 77 K 7.99 3.82 0.00 1.78 1.78 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.76 7.81 78 A 7.82 3.92 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 79 E 8.94 3.90 0.00 1.98 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 2.36 2.36 0.00 80 A 8.27 3.95 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 81 Q 7.82 3.88 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 82 I 7.82 3.85 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 1.48 0.75 0.93 0.00 0.00 83 A 8.38 4.19 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 84 K 7.85 4.03 0.00 1.76 2.07 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 *86 E 8.17 4.34 0.00 2.36 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 2.28 2.31 0.00 87 E 8.44 4.00 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 88 Q 8.14 4.04 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.58 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 89 R 8.01 4.14 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.00 90 K 7.84 4.19 0.00 1.92 1.93 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 91 A 8.14 4.22 1.36 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 92 N 8.44 4.59 0.00 2.95 2.85 0.00 0.00 6.63 6.55 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 *94 L 7.85 4.15 0.00 1.72 1.95 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.30 4.28 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 96 H 8.46 4.40 0.00 3.27 3.32 0.00 5.64 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 *98 E 8.35 4.25 0.00 2.22 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 2.29 2.33 0.00 99 T 8.17 3.85 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 100 Q 8.33 4.04 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 101 N 8.31 4.28 0.00 2.67 2.98 0.00 0.00 7.14 6.71 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 0.00 102 K 7.93 4.01 0.00 1.91 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 103 I 7.97 3.79 2.09 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 1.44 0.63 0.97 0.00 0.00 104 Y 8.05 3.86 0.00 2.90 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.08 4.86 0.00 2.76 2.83 0.00 0.00 6.99 7.04 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 0.00 106 I 7.74 4.25 2.09 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 1.28 0.79 0.89 0.00 0.00 107 L 7.52 4.26 0.00 1.30 1.41 0.57 0.75 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 0.00 108 T 8.60 4.48 4.20 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 1.25 0.00 0.00 109 P 0.00 3.67 0.00 2.17 2.12 0.00 3.54 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 2.08 2.04 0.00 110 E 7.94 4.28 0.00 2.07 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 0.00 2.25 2.41 0.00 111 Q 7.88 4.05 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 112 K 8.77 3.21 0.00 1.72 1.74 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.30 1.10 7.81 113 K 7.85 4.09 0.00 1.71 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 114 Q 8.10 4.18 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 115 F 9.22 4.04 0.00 3.18 3.24 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 0.00 116 N 8.83 4.49 0.00 2.99 3.00 0.00 0.00 7.02 7.75 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 0.00 117 A 8.09 4.06 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 0.00 118 N 8.80 4.28 0.00 2.70 2.86 0.00 0.00 6.74 8.07 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 0.00 119 F 8.06 4.15 0.00 3.06 3.29 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 0.00 120 E 8.33 4.24 0.00 2.13 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 2.26 2.20 0.00 121 K 7.84 4.44 0.00 1.87 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 122 R 7.86 4.45 0.00 1.86 1.86 0.00 3.22 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 123 L 7.01 4.41 0.00 1.35 1.51 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.85 3.86 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.