NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 L 4.3042 8.1693 120.6279 54.9531 44.0356 177.8503 45 T 3.8936 7.3243 108.1072 61.5561 70.4461 173.2806 46 T 3.8543 8.2811 118.6008 66.8765 68.9062 177.8732 47 E 4.0294 8.1491 118.9027 59.3321 29.4087 179.1471 48 Q 3.9946 7.6839 118.3848 58.9591 28.9165 178.1799 49 Q 3.9579 8.2121 118.8462 58.8033 28.7434 178.7021 50 A 3.9979 8.0836 121.7115 55.7635 18.4809 179.9419 51 T 3.9234 7.6805 113.9610 66.4593 68.5893 177.0894 52 A 4.0526 8.6597 123.3339 54.8117 18.2608 179.4508 53 Q 3.8539 8.2533 118.4084 59.2950 29.1892 177.9442 54 K 3.7498 8.0366 120.5485 59.6699 32.0509 178.8430 55 I 3.7039 7.8204 119.8959 64.6677 37.0217 178.0703 *56 Y 4.1225 7.8955 119.4791 61.5272 37.4524 178.4430 57 D 4.4182 8.8181 122.5877 58.5051 39.8945 179.8389 58 D 4.5056 7.8763 119.5857 57.4093 40.8837 177.6227 59 Y 4.1484 7.8403 119.3572 61.3097 38.8453 178.0240 *60 Y 3.6948 8.3267 117.4649 60.8152 37.3269 178.5540 61 T 3.9313 7.5012 116.3800 66.3534 68.8123 176.2777 62 Q 4.1067 8.3663 119.4661 57.7408 29.4325 176.5224 63 T 4.2858 7.1655 112.2931 62.9051 68.9347 175.8027 64 S 4.0431 7.7555 115.8437 61.3546 62.8023 176.4384 65 A 3.9563 7.8373 123.8524 54.8331 18.2656 179.3481 66 L 3.9039 7.8229 117.0338 58.0796 41.6313 179.9122 67 R 3.9183 7.9946 118.0231 59.1122 29.9562 178.8703 68 Q 3.9432 8.1000 119.4516 59.3138 29.0048 178.3524 69 Q 3.9908 8.3849 119.4420 58.8256 28.7564 178.4738 70 L 3.9126 8.0446 121.4107 58.0028 42.1140 179.0612 71 I 3.5298 7.9489 119.9742 64.3549 37.0817 178.0518 72 S 4.2765 8.1723 113.9344 61.8006 62.1234 176.6100 73 K 4.1375 8.3536 120.8090 59.1515 31.7932 179.3829 74 R 3.8789 7.9644 119.3876 59.4223 29.9080 178.2471 75 Y 4.3299 7.9339 116.7676 60.9891 37.9361 177.6081 76 E 4.0256 8.3201 120.3695 59.5704 29.7532 178.2776 77 Y 4.1797 8.4419 119.7536 60.8742 38.7167 177.8075 78 N 4.2727 8.3500 117.1094 55.9770 38.4303 177.2070 79 A 4.0169 8.3650 121.8837 55.2060 18.7552 179.4567 80 L 4.0699 8.0577 117.3675 57.9106 41.5860 179.6509 81 L 4.0205 7.6895 117.5658 56.7658 41.4646 178.5548 82 T 4.4077 7.1117 107.5904 60.3601 69.4733 174.4793 83 A 4.1507 7.2529 124.9905 52.1003 19.1619 178.0588 84 S 4.1892 8.8550 116.8994 60.8377 62.6965 175.1172 85 S 4.5792 7.7082 117.3191 54.7303 63.8311 171.8075 86 P 4.1919 0.0000 0.0000 63.0382 31.7246 176.7001 87 D 4.7613 8.2972 120.7791 51.8877 42.1227 176.2071 88 T 3.9188 8.3537 117.5700 64.2538 68.6133 176.1016 89 A 4.0159 7.9332 123.8023 55.2135 18.4921 179.8244 90 K 3.9778 8.1410 116.5603 59.3815 32.1428 179.5557 91 I 3.7687 7.8360 120.1445 64.6695 37.1398 178.0906 92 N 4.3476 8.9345 117.7086 56.2786 38.3612 177.3199 93 A 3.9589 8.2716 122.3080 55.2893 18.5855 179.7022 94 V 3.7127 8.4805 116.7327 66.1542 31.5328 177.9210 95 A 3.7600 8.2691 120.4603 55.0757 18.2102 179.5850 96 K 3.8004 8.0348 116.8003 59.8501 32.2057 179.0927 97 E 3.9495 8.1985 118.5591 59.9104 29.2927 179.5818 98 M 4.0015 8.1046 118.3398 58.3593 32.0300 178.4908 99 E 3.8902 8.0133 118.7206 59.4777 29.5652 179.4438 100 S 4.0340 7.9575 112.8283 61.5468 62.6078 176.2055 101 L 4.0538 8.0279 121.7171 57.7403 41.2563 179.8270 102 G 3.6200 8.2941 105.9658 47.4680 0.0000 176.0303 103 Q 3.9682 8.5325 120.7018 58.9568 28.4005 178.9972 104 K 3.9607 8.3198 119.5650 59.1725 32.0813 179.0740 105 L 3.8905 7.7592 120.5897 57.9678 42.0663 178.5484 106 D 4.4486 8.6269 119.2852 56.9867 40.6681 178.1968 107 E 3.9755 8.3608 120.2493 59.4004 29.4812 178.9551 108 Q 4.0934 7.7918 117.8143 58.6274 28.8573 178.1223 109 R 3.7580 7.9271 119.6197 59.5390 29.9645 178.6486 110 V 3.4878 8.1420 118.0555 65.8606 31.5959 177.5132 111 K 3.8233 7.8153 119.2603 59.7527 31.8523 178.7224 112 R 3.8938 8.1970 116.2587 59.4112 29.4254 178.4937 113 D 4.2449 7.9564 119.7516 56.8637 40.7693 179.0221 114 V 3.4988 8.1363 118.7660 65.8839 31.6205 177.5424 115 A 3.9397 7.8907 120.5511 55.7825 18.3120 179.0483 116 M 3.8789 8.2686 116.2643 58.9983 32.1379 178.2950 117 A 4.0623 7.8116 120.1318 55.0475 18.4950 179.6273 118 Q 3.9567 8.4041 115.9379 58.7235 28.8478 178.1089 119 A 4.2758 8.0450 119.7792 51.9770 18.7743 177.3369 120 G 3.7521 8.0020 105.1808 46.6696 0.0000 173.9026 121 I 4.4468 7.3238 118.7729 58.4809 39.4675 174.4858 122 P 4.4272 0.0000 0.0000 63.1065 31.4570 175.9485 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 44 L 8.17 4.30 0.00 1.65 1.80 0.92 0.57 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 45 T 7.32 3.89 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 1.25 0.00 0.00 46 T 8.28 3.85 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 47 E 8.15 4.03 0.00 2.15 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 0.00 2.36 2.35 0.00 48 Q 7.68 3.99 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 49 Q 8.21 3.96 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 50 A 8.08 4.00 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 51 T 7.68 3.92 4.33 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 1.21 0.00 0.00 52 A 8.66 4.05 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 53 Q 8.25 3.85 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 54 K 8.04 3.75 0.00 1.89 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 55 I 7.82 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.91 0.00 0.00 *56 Y 7.90 4.12 0.00 2.63 2.40 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 57 D 8.82 4.42 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 58 D 7.88 4.51 0.00 2.78 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 59 Y 7.84 4.15 0.00 3.08 3.17 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 0.00 *60 Y 8.33 3.69 0.00 2.47 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 0.00 0.00 0.00 0.00 61 T 7.50 3.93 4.38 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 1.19 0.00 0.00 62 Q 8.37 4.11 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 63 T 7.17 4.29 3.91 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 0.88 0.00 0.00 64 S 7.76 4.04 0.00 4.06 4.16 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 65 A 7.84 3.96 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 66 L 7.82 3.90 0.00 1.79 1.70 0.89 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 67 R 7.99 3.92 0.00 1.83 1.94 0.00 3.03 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 68 Q 8.10 3.94 0.00 2.10 2.24 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 2.37 2.55 0.00 69 Q 8.38 3.99 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 70 L 8.04 3.91 0.00 1.82 1.80 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.95 3.53 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.90 0.00 0.00 72 S 8.17 4.28 0.00 3.95 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 73 K 8.35 4.14 0.00 1.79 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.59 7.81 74 R 7.96 3.88 0.00 2.03 1.74 0.00 3.21 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 75 Y 7.93 4.33 0.00 3.32 2.87 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 76 E 8.32 4.03 0.00 2.14 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 2.38 2.38 0.00 77 Y 8.44 4.18 0.00 3.10 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 78 N 8.35 4.27 0.00 3.06 2.90 0.00 0.00 6.90 6.88 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 79 A 8.37 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 80 L 8.06 4.07 0.00 1.80 1.68 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.69 4.02 0.00 1.54 1.57 0.36 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.11 4.41 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 1.19 0.00 0.00 83 A 7.25 4.15 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 84 S 8.86 4.19 0.00 3.98 4.04 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 0.00 0.00 0.00 85 S 7.71 4.58 0.00 3.94 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 86 P 0.00 4.19 0.00 2.04 2.01 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 87 D 8.30 4.76 0.00 2.65 2.51 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 88 T 8.35 3.92 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 1.21 0.00 0.00 89 A 7.93 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 90 K 8.14 3.98 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.61 7.81 91 I 7.84 3.77 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.98 0.00 0.00 92 N 8.93 4.35 0.00 2.85 2.90 0.00 0.00 7.01 6.04 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 93 A 8.27 3.96 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 94 V 8.48 3.71 2.31 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 1.12 0.00 0.00 1.03 0.00 0.00 95 A 8.27 3.76 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 96 K 8.03 3.80 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 97 E 8.20 3.95 0.00 2.19 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 2.34 2.37 0.00 98 M 8.10 4.00 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 99 E 8.01 3.89 0.00 2.17 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 2.29 2.27 0.00 100 S 7.96 4.03 0.00 3.90 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 0.00 101 L 8.03 4.05 0.00 1.91 1.68 0.90 0.68 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 0.00 102 G 8.29 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 3.97 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 104 K 8.32 3.96 0.00 2.02 1.86 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.33 7.81 105 L 7.76 3.89 0.00 1.99 1.79 0.88 1.18 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 0.00 106 D 8.63 4.45 0.00 2.70 2.71 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 0.00 107 E 8.36 3.98 0.00 2.21 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 2.32 2.36 0.00 108 Q 7.79 4.09 0.00 2.38 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 109 R 7.93 3.76 0.00 2.12 2.10 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 110 V 8.14 3.49 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 0.98 0.00 0.00 111 K 7.82 3.82 0.00 1.96 2.04 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.35 7.81 112 R 8.20 3.89 0.00 1.89 2.05 0.00 2.57 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 113 D 7.96 4.24 0.00 2.85 2.71 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 0.00 114 V 8.14 3.50 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 1.01 0.00 0.00 0.95 0.00 0.00 115 A 7.89 3.94 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 0.00 116 M 8.27 3.88 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 117 A 7.81 4.06 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 0.00 118 Q 8.40 3.96 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 119 A 8.05 4.28 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 0.00 120 G 8.00 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 0.00 121 I 7.32 4.45 1.93 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 1.34 0.67 0.90 0.00 0.00 122 P 0.00 4.43 0.00 2.16 2.01 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.