NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0085 8.0549 114.0649 60.3144 32.9963 175.2904 3 P 2.9700 0.0000 0.0000 61.0051 31.6921 175.7647 4 D 4.3624 8.4297 121.4879 52.7196 40.9703 176.2480 5 W 4.5254 8.0338 126.2725 59.4391 29.2480 177.2566 6 E 3.9685 8.4093 118.8229 59.2115 29.1160 178.3361 7 E 3.8982 8.1864 119.2130 59.3023 29.7344 178.7560 8 V 3.6846 7.9206 118.1990 66.3054 31.5843 178.0084 9 L 4.2267 9.1402 119.8163 57.6474 41.3714 179.8671 10 G 3.6612 8.0033 105.4222 47.7947 0.0000 175.8077 11 L 4.0322 7.8837 121.3069 57.1042 41.6760 179.3387 12 W 4.1350 8.5805 128.4548 60.7998 30.4944 178.3240 13 R 4.1114 8.5056 116.5976 58.8552 29.5794 178.0867 14 A 4.2703 7.6979 117.8767 52.0172 18.6889 178.0819 15 G 2.9709 7.3253 105.2860 46.1125 0.0000 176.1435 16 R 4.1852 7.3207 120.8156 54.7903 26.6203 176.6273 17 Y 4.3062 6.9485 120.6334 61.2946 38.5615 177.5673 18 Y 4.0645 8.1696 119.9332 60.7844 38.7627 177.9279 19 E 3.8710 8.2672 118.9163 59.3679 29.6536 179.2522 20 V 3.6682 7.9129 118.2416 66.3449 31.3536 177.4321 21 H 4.1211 8.3856 117.9140 59.3232 29.4387 176.8643 22 E 3.8674 7.7556 119.9680 59.2633 29.5428 178.6364 23 V 3.7861 7.8544 117.4351 65.9007 31.8968 177.5952 24 L 4.4076 8.1441 118.4208 56.7402 41.5135 178.5504 25 E 4.2197 7.9142 118.7000 59.2558 29.2847 177.0786 26 P 4.1988 0.0000 0.0000 65.9269 31.3489 177.8875 27 Y 4.1376 7.9095 114.9872 60.5404 37.8702 178.0472 28 W 4.3756 8.5204 129.3479 60.7236 30.7089 177.9243 29 L 3.3081 7.8561 117.3880 57.0919 41.0897 178.7988 30 K 4.2480 7.3792 113.8058 55.4004 32.6926 176.4436 31 A 4.5287 7.0706 122.8699 51.3075 20.2758 176.0408 32 T 4.6608 7.6750 108.4560 60.2307 73.1275 174.4067 33 G 3.7714 8.5554 109.0448 46.5031 0.0000 175.7119 34 E 3.9915 8.7280 117.7056 59.4458 29.4560 178.7862 35 E 4.0032 8.1544 118.3573 59.3764 29.5855 179.1635 36 R 4.1153 7.9597 118.4062 59.4971 30.1588 178.8240 37 R 3.9429 7.8511 117.5477 58.9534 29.9798 178.7446 38 L 3.6131 8.1265 120.3760 58.1807 42.1626 179.0396 39 L 4.0899 8.0918 118.8925 57.9694 41.5144 179.4212 40 Q 3.4327 8.3749 119.6487 58.6001 28.8664 178.4517 41 G 3.3953 7.9507 107.0484 47.6946 0.0000 175.9598 42 V 3.5829 7.8770 121.0206 65.5818 31.4374 178.1496 43 I 3.6337 7.7597 119.6141 64.4486 36.8418 178.4672 44 L 3.8970 7.9718 119.8377 57.5469 41.3439 179.6464 45 L 4.0108 7.9258 118.9917 57.7126 41.5475 179.3162 46 A 4.0432 8.4221 120.5915 55.0661 18.3176 179.5550 47 A 4.0404 8.3722 119.3243 55.1938 18.5904 179.5925 48 A 3.9150 8.1963 119.4725 55.5324 18.4988 179.9755 49 L 3.7383 7.7046 117.3672 57.9483 41.5890 179.2636 50 H 4.3688 8.4183 118.5254 59.1746 29.7839 177.2993 51 Q 3.9575 8.4505 120.5236 59.0275 28.5230 178.8594 52 R 4.6592 7.8281 120.6785 58.9596 29.8498 178.5292 53 R 3.9314 7.7145 117.7652 58.7874 30.0815 177.4470 54 L 4.4573 7.3681 116.2320 54.0199 41.7653 176.7982 55 G 3.8602 8.1501 106.8516 46.4308 0.0000 173.9312 56 R 4.7255 7.8593 116.9409 53.0019 33.8229 174.9006 57 P 4.0630 0.0000 0.0000 65.5572 31.6305 178.6840 58 G 3.9403 8.2757 103.4017 46.2955 0.0000 175.1529 59 L 4.0587 7.4101 121.2955 57.2686 41.4726 179.3552 60 R 3.9064 7.9150 118.5837 59.4421 30.0820 178.1738 61 N 4.3305 8.0586 115.9061 56.0755 38.5406 176.9353 62 L 3.9439 7.7801 121.3445 58.1203 42.2994 179.0165 63 R 4.0194 8.0176 118.5693 59.5165 30.0381 178.7024 64 K 3.9830 8.0842 118.0636 59.1800 32.0193 179.1907 65 A 3.8974 8.3836 121.5351 55.3535 18.3973 179.5543 66 E 3.9427 8.4740 117.0147 59.4487 29.2385 179.5316 67 A 3.9936 7.5842 119.7920 55.2537 18.5199 179.6387 68 R 3.9759 7.7513 115.6247 58.9532 30.4352 178.6766 69 L 3.7037 7.8806 118.3445 55.0561 41.6743 176.7045 70 E 4.0514 7.3003 119.8500 57.9884 29.7085 177.1598 71 G 4.0111 9.1014 113.7195 45.4002 0.0000 173.2331 72 L 4.3293 7.5582 119.7725 53.2267 42.4153 175.2158 73 P 4.6578 0.0000 0.0000 62.8823 32.2051 175.3444 74 C 4.7234 8.2142 118.8013 57.0132 34.1209 172.1085 75 P 4.6467 0.0000 0.0000 62.8815 32.5376 176.1057 76 L 4.5541 8.3834 118.2669 54.0947 42.0690 176.6794 *78 G 3.8750 7.7875 104.9160 44.7896 0.0000 170.9285 79 L 4.1709 7.8810 122.8337 52.8742 42.6658 175.4408 80 D 4.6925 7.9283 126.1796 52.6934 39.8003 176.2502 81 W 4.1601 7.7583 122.2846 58.3351 28.5195 178.3808 82 R 3.3110 6.7316 119.0167 59.2671 29.4196 178.7513 83 S 4.0318 7.6234 114.6201 61.4954 62.6796 176.8262 84 L 3.9282 7.1175 121.9293 57.5537 41.2304 179.2862 85 L 4.0346 8.1751 120.4122 58.4302 42.0979 179.0413 86 Q 3.9997 8.2586 118.0648 58.9454 28.5152 178.5300 87 E 4.0063 8.5048 120.1882 59.0965 29.7082 178.7090 88 A 3.9994 8.5188 121.1405 55.3032 18.5217 179.8191 89 R 3.8750 8.2477 116.7326 59.3080 30.2175 179.2964 90 R 3.8729 8.0259 118.4420 59.6847 29.9343 178.9167 91 R 4.0085 8.0977 116.6485 58.7342 30.1153 178.1005 92 L 4.3576 7.9389 116.3979 53.9702 41.9273 176.8615 93 G 3.8054 7.7519 106.5606 46.6073 0.0000 173.9688 94 A 4.2961 8.4067 128.4495 51.8368 19.1351 177.8125 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 V 8.05 4.01 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 0.94 0.00 0.00 0.89 0.00 0.00 3 P 0.00 2.97 0.00 0.49 0.58 0.00 2.88 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.00 4 D 8.43 4.36 0.00 2.60 2.45 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 5 W 8.03 4.53 0.00 3.38 3.11 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 6 E 8.41 3.97 0.00 2.13 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 2.41 2.47 0.00 7 E 8.19 3.90 0.00 2.03 2.16 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 2.32 2.34 0.00 8 V 7.92 3.68 2.41 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 1.32 0.00 0.00 0.81 0.00 0.00 9 L 9.14 4.23 0.00 1.76 1.78 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.03 0.00 1.99 1.79 0.98 1.03 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 12 W 8.58 4.13 0.00 3.57 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 13 R 8.51 4.11 0.00 1.88 2.05 0.00 3.28 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.08 0.00 14 A 7.70 4.27 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 15 G 7.33 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 0.00 0.00 0.00 16 R 7.32 4.19 0.00 1.93 2.04 0.00 3.12 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 17 Y 6.95 4.31 0.00 3.06 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 18 Y 8.17 4.06 0.00 2.70 2.92 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 19 E 8.27 3.87 0.00 2.37 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 2.46 2.54 0.00 20 V 7.91 3.67 2.52 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 1.30 0.00 0.00 1.32 0.00 0.00 21 H 8.39 4.12 0.00 3.37 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.76 3.87 0.00 1.45 1.88 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 2.27 2.23 0.00 23 V 7.85 3.79 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 1.02 0.00 0.00 0.98 0.00 0.00 24 L 8.14 4.41 0.00 1.84 1.81 1.10 0.62 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 25 E 7.91 4.22 0.00 2.22 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 2.47 2.76 0.00 26 P 0.00 4.20 0.00 1.72 1.92 0.00 3.96 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 1.97 2.15 0.00 27 Y 7.91 4.14 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.52 4.38 0.00 3.44 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 29 L 7.86 3.31 0.00 1.66 1.51 0.90 0.28 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 30 K 7.38 4.25 0.00 1.70 1.78 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 A 7.07 4.53 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 32 T 7.68 4.66 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 1.17 0.00 0.00 33 G 8.56 3.77 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 0.00 0.00 0.00 34 E 8.73 3.99 0.00 2.03 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 2.39 2.41 0.00 35 E 8.15 4.00 0.00 2.25 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 0.00 2.45 2.49 0.00 36 R 7.96 4.12 0.00 1.94 2.14 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 37 R 7.85 3.94 0.00 2.00 2.09 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 38 L 8.13 3.61 0.00 1.54 1.81 0.52 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.09 4.09 0.00 2.00 1.91 1.16 0.94 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 40 Q 8.37 3.43 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.04 1.51 0.00 41 G 7.95 3.40 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 0.00 42 V 7.88 3.58 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 1.03 0.00 0.00 0.83 0.00 0.00 43 I 7.76 3.63 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.39 0.00 0.00 44 L 7.97 3.90 0.00 1.75 1.82 0.87 0.58 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 45 L 7.93 4.01 0.00 2.10 2.02 0.98 0.93 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 46 A 8.42 4.04 1.64 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 47 A 8.37 4.04 1.48 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 0.00 0.00 0.00 48 A 8.20 3.92 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 49 L 7.70 3.74 0.00 0.63 0.46 -0.01 0.71 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 50 H 8.42 4.37 0.00 3.48 3.58 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.45 3.96 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 52 R 7.83 4.66 0.00 1.91 2.03 0.00 3.17 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 53 R 7.71 3.93 0.00 2.04 2.10 0.00 3.37 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 54 L 7.37 4.46 0.00 1.77 1.62 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 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 56 R 7.86 4.73 0.00 1.93 1.77 0.00 3.15 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 57 P 0.00 4.06 0.00 2.16 2.11 0.00 3.68 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 2.11 2.10 0.00 58 G 8.28 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 0.00 0.00 0.00 59 L 7.41 4.06 0.00 1.80 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.91 3.91 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 61 N 8.06 4.33 0.00 2.93 3.03 0.00 0.00 6.75 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 3.94 0.00 1.77 1.83 0.94 0.78 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 63 R 8.02 4.02 0.00 2.01 2.09 0.00 3.15 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 1.67 0.00 64 K 8.08 3.98 0.00 1.98 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 65 A 8.38 3.90 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 66 E 8.47 3.94 0.00 2.15 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 2.64 0.00 67 A 7.58 3.99 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 68 R 7.75 3.98 0.00 1.85 2.06 0.00 3.32 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 69 L 7.88 3.70 0.00 1.49 0.70 0.91 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.30 4.05 0.00 2.13 1.88 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 2.36 2.32 0.00 71 G 9.10 4.01 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 0.00 0.00 0.00 72 L 7.56 4.33 0.00 1.49 1.54 0.36 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.66 0.00 2.25 2.11 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 74 C 8.21 4.72 0.00 2.42 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 75 P 0.00 4.65 0.00 2.17 1.96 0.00 3.76 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 76 L 8.38 4.55 0.00 2.03 1.62 0.90 1.23 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 *78 G 7.79 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 0.00 0.00 0.00 79 L 7.88 4.17 0.00 0.27 0.98 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.93 4.69 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 81 W 7.76 4.16 0.00 3.50 3.08 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 R 6.73 3.31 0.00 1.50 1.63 0.00 2.89 0.00 0.00 2.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 83 S 7.62 4.03 0.00 3.83 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 84 L 7.12 3.93 0.00 1.84 1.16 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.18 4.03 0.00 1.95 1.94 1.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.26 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 87 E 8.50 4.01 0.00 2.32 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 2.45 2.46 0.00 88 A 8.52 4.00 1.54 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 0.00 0.00 0.00 89 R 8.25 3.88 0.00 2.02 2.01 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 90 R 8.03 3.87 0.00 1.96 2.16 0.00 3.11 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 1.64 1.68 0.00 91 R 8.10 4.01 0.00 1.75 1.92 0.00 3.12 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 1.67 1.83 0.00 92 L 7.94 4.36 0.00 1.66 1.68 0.88 0.72 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 93 G 7.75 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 94 A 8.41 4.30 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.