NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 3.9503 8.3449 119.0489 53.8814 30.2478 174.3375 2 F 4.7137 7.5441 116.9494 56.3148 40.5893 174.3026 3 Q 4.2078 9.8367 126.6057 57.1574 29.3802 173.0372 4 K 4.8315 8.1302 117.1057 52.8668 35.7920 175.4846 5 P 4.3094 0.0000 0.0000 66.1430 30.8765 178.8112 6 G 3.2751 8.0704 104.8193 47.6639 0.0000 175.0927 7 D 4.3359 8.0366 120.6602 57.1524 40.7904 178.6781 8 A 2.5800 7.5728 120.6434 54.6101 18.3115 179.5587 9 I 3.4525 7.3734 118.1121 64.6798 37.1831 178.6015 10 E 3.9791 8.3086 119.5813 59.3420 29.1212 178.8977 11 Y 3.9682 8.0646 119.9007 60.6913 38.8483 178.3539 12 R 3.7276 8.1411 117.2466 59.2072 29.4760 178.6500 13 Q 4.1740 8.2016 118.8036 58.9262 28.7591 179.0456 14 S 4.0724 8.2204 115.8639 61.5665 62.7949 176.6509 15 A 3.8114 7.8718 123.5049 55.2044 17.9957 179.6613 16 F 4.3554 8.1269 116.4285 61.0244 38.9523 178.0209 17 T 3.9522 8.2777 115.4675 66.7504 68.3087 176.7087 18 L 4.0966 8.0115 120.8505 57.7059 41.6330 179.5543 19 I 3.8081 8.2139 119.9168 64.5030 37.0447 178.3064 20 A 4.2216 8.5051 121.9116 55.1163 18.1442 179.2501 21 N 4.2418 8.3216 115.5058 57.3624 39.0030 176.9910 22 H 4.2335 8.3899 117.6272 58.6403 28.7126 177.5749 23 F 4.4098 9.0540 123.2286 61.3127 39.1691 177.4183 24 G 3.5627 8.5667 105.5789 47.7471 0.0000 175.9092 25 R 3.9059 7.7452 119.9679 59.0389 30.0399 179.3072 26 V 3.5526 7.5227 117.9753 65.9212 31.4739 177.8792 27 A 3.7266 7.8564 120.6014 55.0301 18.0271 179.3655 28 A 3.9183 8.1096 119.3178 55.6329 18.4380 179.8617 29 M 4.4038 8.1542 118.3426 58.0600 31.8725 178.8437 30 A 3.7913 7.8564 119.9221 54.9688 18.6265 178.9618 31 Q 4.2874 8.3089 114.3341 55.9229 29.0477 176.6877 32 G 3.9452 7.9845 108.0581 46.4648 0.0000 174.9853 33 K 4.2353 8.3785 120.4539 56.9094 32.4615 177.1256 34 A 4.7838 7.5927 120.6712 49.1645 22.1622 173.5317 35 P 4.4197 0.0000 0.0000 62.3775 32.0489 176.2904 36 F 4.4932 8.7376 124.2955 58.1497 40.0585 174.7043 37 D 4.3007 7.9854 125.5443 51.5464 43.6537 175.6598 38 A 3.5028 7.8116 129.9209 54.6950 18.4426 178.9234 39 K 3.7960 7.8005 117.7104 59.7010 32.3965 179.1483 40 V 3.7019 8.0796 118.3063 65.8119 31.3993 177.6771 41 A 3.9718 8.2676 120.7822 55.2314 18.1455 179.4565 42 A 3.9789 8.2351 119.3955 55.3178 18.4571 179.7073 43 E 3.9043 8.2882 117.0481 59.7524 29.4842 179.4463 44 N 4.4329 8.3943 116.5512 56.2688 38.5405 177.5786 45 I 3.7427 8.3099 121.5485 64.3441 37.1692 178.2842 46 A 4.0240 8.3570 121.9172 55.1090 18.1339 179.7430 47 L 3.8877 7.9104 117.4572 57.8226 41.6195 179.6954 48 V 3.6422 8.0455 118.4394 66.1175 31.2139 177.9296 49 S 4.0027 8.1931 111.7001 61.6911 62.4246 175.8391 50 T 4.0147 7.9695 118.2955 66.9152 68.2686 176.6850 51 L 4.0181 8.3651 121.2528 57.5700 41.3734 179.6302 52 S 4.3868 8.1994 113.6076 60.7824 62.9292 175.7757 53 K 4.2916 7.5917 120.2633 57.0297 32.3727 177.9607 54 L 4.5546 7.8636 120.5121 56.3758 42.4670 177.0771 55 P 4.2759 0.0000 0.0000 65.5681 31.3622 177.6930 56 L 4.7235 7.9449 116.4550 56.0872 41.7408 177.3023 57 T 4.3581 7.9324 107.8231 62.3552 69.1706 174.9419 58 A 4.7434 8.0762 125.1009 52.2614 19.4294 176.3610 59 F 5.0620 7.6846 115.6356 57.6534 39.8728 176.0018 60 G 4.0529 8.0865 109.6651 44.1940 0.0000 171.5509 61 P 4.2420 0.0000 0.0000 64.2571 31.4847 177.2728 62 G 3.7889 8.6189 109.9827 46.1244 0.0000 173.4410 63 T 4.4407 7.4195 109.4343 61.4668 69.0974 175.6027 64 D 4.3846 7.6577 122.3181 54.4287 39.7414 176.2229 *65 K 4.4019 7.3355 118.0064 54.2401 36.3525 184.3604 66 G 3.6789 8.6180 110.5921 45.0889 0.0000 173.3855 67 H 3.9331 9.9728 112.4759 56.7234 27.0774 175.1506 68 G 3.9384 8.2968 103.4220 46.5516 0.0000 174.1020 69 T 4.1001 7.2386 114.1763 62.3112 67.8746 173.5992 70 E 4.7439 8.7650 125.7243 56.0480 31.2164 175.0198 71 A 4.6933 8.1035 123.3140 51.8597 18.9758 178.5994 72 K 4.2941 9.2525 122.9876 55.5074 33.2740 176.6681 73 P 4.5164 0.0000 0.0000 66.0602 31.2151 178.7239 74 A 4.3631 8.2057 120.1947 54.2396 17.9248 179.3443 75 V 2.5646 7.7128 116.5018 65.6405 31.2819 177.5598 76 W 4.4049 8.0227 116.3409 58.3165 29.7667 177.9828 77 S 4.5875 8.4035 113.2920 58.7633 64.1493 173.2323 78 D 5.2020 8.4649 121.9050 52.3574 40.9032 175.8932 79 A 4.0607 7.9189 124.7512 55.0862 18.9258 179.1064 80 A 4.0391 8.1077 119.0764 55.2314 18.4938 179.9772 81 G 3.8252 8.4505 105.6391 47.4201 0.0000 175.7653 82 F 3.1573 8.2826 123.4287 60.5250 39.2229 177.1493 83 K 3.7130 8.2614 119.2503 59.2764 31.9410 178.6489 84 A 3.9351 8.1849 120.9965 55.0326 18.3111 179.4481 85 A 3.8683 8.0692 119.1064 55.1685 18.3434 179.7168 86 A 3.7978 7.7583 119.4583 55.4585 18.4494 179.6911 87 D 4.2504 8.4096 117.8306 57.1313 40.9125 178.9141 88 K 3.9334 8.2129 120.4208 59.2935 32.1100 178.6454 89 F 4.1995 8.2057 120.6786 61.3809 39.3432 176.8825 90 A 3.6073 8.2751 120.4391 55.0255 18.2046 179.4753 91 A 3.8514 8.0496 118.9938 55.1631 18.3830 179.7714 92 A 3.8999 7.8316 119.1567 55.3140 18.4608 180.0888 93 V 3.3762 7.7743 117.0856 65.9127 31.4810 177.9298 94 D 4.3006 8.0942 118.8359 57.4007 40.6489 178.9731 95 K 3.9817 7.8576 118.3877 59.1992 31.9066 179.1787 96 L 3.9315 8.0368 120.8176 58.0913 42.1201 178.4137 97 D 4.2856 8.5087 118.1469 57.4392 41.2645 178.1255 98 A 3.9883 8.0753 120.8884 55.1117 18.4889 179.4525 99 A 4.1768 8.3106 119.5097 55.3013 18.2436 180.0065 100 G 3.6788 8.1626 103.4263 48.0655 0.0000 175.7661 101 K 4.2000 7.8090 119.6035 59.2264 32.1239 179.2633 102 T 4.1335 7.7247 109.2206 62.4659 68.9047 175.9467 103 G 3.9475 7.8562 107.4386 46.0419 0.0000 173.2101 104 D 4.5484 8.2290 120.4665 53.3026 41.8696 176.2344 105 F 3.3533 8.8706 129.2797 61.3247 39.2689 176.7908 106 A 4.0135 8.1215 119.6768 55.2064 18.2938 179.2433 107 Q 3.8661 8.2826 118.0844 59.2124 29.1008 178.4724 108 I 3.6246 7.8240 121.0574 64.2107 37.1663 178.2711 109 K 3.6763 7.9873 120.5797 59.3194 31.9715 178.6234 110 A 3.9530 8.1058 120.8745 55.2197 18.2548 179.5446 111 A 4.0058 8.0947 119.2559 55.0049 18.3227 179.9951 112 V 3.8954 8.3727 117.6632 66.1630 31.5229 178.5546 113 G 3.6075 8.1838 105.4817 47.7650 0.0000 175.3226 114 E 3.9619 8.3026 122.0122 59.2202 29.6940 179.0558 115 T 3.9790 8.4551 116.2970 66.6642 68.5805 176.8428 116 G 3.8839 8.7300 108.1435 47.9133 0.0000 175.8473 117 G 3.6881 8.4462 107.8609 47.5271 0.0000 175.6703 118 A 4.0214 7.9396 122.7691 54.9129 18.4030 179.4141 119 C 3.6531 8.0278 115.3223 62.8914 28.1637 176.3768 120 K 3.9814 8.0614 121.1600 59.3830 31.3227 179.1143 121 G 3.5709 8.2853 106.2948 47.7137 0.0000 175.3896 122 C 4.1706 7.9317 120.6156 62.7426 31.6704 175.3371 123 H 4.2328 8.2196 117.8278 59.0064 28.0250 177.2889 124 D 4.4148 8.3758 122.5769 57.8677 40.7528 179.1715 125 K 4.0186 7.3162 121.7067 57.3632 32.3870 179.1127 126 F 5.1136 8.3057 113.5964 56.6561 41.0208 174.2169 127 K 5.0430 7.9899 121.8655 54.3428 34.4877 175.6857 128 E 3.8990 9.3789 129.2826 59.8835 29.7038 177.8905 *129 K 4.1215 7.8772 122.7034 54.7434 32.4708 177.1038 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 Q 8.34 3.95 0.00 2.09 2.07 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 2.18 1.96 0.00 2 F 7.54 4.71 0.00 3.06 2.86 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 3 Q 9.84 4.21 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 4 K 8.13 4.83 0.00 1.89 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.20 7.81 5 P 0.00 4.31 0.00 2.19 2.36 0.00 3.71 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 2.05 2.01 0.00 6 G 8.07 3.28 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 0.00 0.00 0.00 7 D 8.04 4.34 0.00 2.97 2.88 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 8 A 7.57 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.37 3.45 1.87 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 1.47 0.69 0.91 0.00 0.00 10 E 8.31 3.98 0.00 2.00 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 2.46 0.00 11 Y 8.06 3.97 0.00 3.16 2.83 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 12 R 8.14 3.73 0.00 1.87 1.94 0.00 2.21 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 13 Q 8.20 4.17 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 14 S 8.22 4.07 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.87 3.81 0.97 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 16 F 8.13 4.36 0.00 3.26 3.04 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 17 T 8.28 3.95 4.43 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 1.25 0.00 0.00 18 L 8.01 4.10 0.00 1.85 1.77 0.90 0.94 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 19 I 8.21 3.81 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 1.06 0.00 0.00 20 A 8.51 4.22 1.47 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 0.00 0.00 21 N 8.32 4.24 0.00 2.80 2.93 0.00 0.00 7.23 7.56 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 22 H 8.39 4.23 0.00 3.33 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.05 4.41 0.00 3.14 3.20 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 0.00 24 G 8.57 3.56 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 0.00 0.00 0.00 25 R 7.75 3.91 0.00 2.02 1.99 0.00 3.33 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 26 V 7.52 3.55 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 0.97 0.00 0.00 1.00 0.00 0.00 27 A 7.86 3.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.92 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 29 M 8.15 4.40 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 30 A 7.86 3.79 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 31 Q 8.31 4.29 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 32 G 7.98 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 33 K 8.38 4.24 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 34 A 7.59 4.78 1.23 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 0.00 0.00 0.00 35 P 0.00 4.42 0.00 2.08 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 36 F 8.74 4.49 0.00 3.06 3.05 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 0.00 0.00 0.00 37 D 7.99 4.30 0.00 2.57 2.32 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 38 A 7.81 3.50 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 39 K 7.80 3.80 0.00 1.78 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 40 V 8.08 3.70 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 0.94 0.00 0.00 1.00 0.00 0.00 41 A 8.27 3.97 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 42 A 8.24 3.98 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 43 E 8.29 3.90 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 2.32 2.50 0.00 44 N 8.39 4.43 0.00 2.77 3.09 0.00 0.00 7.07 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 45 I 8.31 3.74 2.08 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 1.52 0.81 1.00 0.00 0.00 46 A 8.36 4.02 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 47 L 7.91 3.89 0.00 1.86 1.63 0.71 0.75 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 48 V 8.05 3.64 2.32 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 1.16 0.00 0.00 1.20 0.00 0.00 49 S 8.19 4.00 0.00 3.85 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 50 T 7.97 4.01 4.37 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 1.21 0.00 0.00 51 L 8.37 4.02 0.00 1.72 1.71 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.20 4.39 0.00 3.89 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 53 K 7.59 4.29 0.00 1.85 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 54 L 7.86 4.55 0.00 1.70 1.82 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.28 0.00 1.25 1.39 0.00 3.86 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 1.83 1.31 0.00 56 L 7.94 4.72 0.00 1.76 1.81 0.98 0.79 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 57 T 7.93 4.36 4.34 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 1.35 0.00 0.00 58 A 8.08 4.74 1.10 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 0.00 0.00 59 F 7.68 5.06 0.00 2.96 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 60 G 8.09 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.24 0.00 2.08 2.07 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 62 G 8.62 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.42 4.44 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 1.22 0.00 0.00 64 D 7.66 4.38 0.00 1.89 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 *65 K 7.34 4.40 0.00 1.75 1.64 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.96 7.81 66 G 8.62 3.68 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 0.00 0.00 0.00 67 H 9.97 3.93 0.00 3.25 3.39 0.00 6.03 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.30 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 69 T 7.24 4.10 4.37 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 1.34 0.00 0.00 70 E 8.77 4.74 0.00 1.97 1.92 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 2.32 2.49 0.00 71 A 8.10 4.69 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.25 4.29 0.00 1.88 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 73 P 0.00 4.52 0.00 2.24 2.22 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 74 A 8.21 4.36 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 75 V 7.71 2.56 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 0.00 0.00 -1.55 0.00 0.00 0.25 0.00 0.00 76 W 8.02 4.40 0.00 3.48 3.14 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 77 S 8.40 4.59 0.00 4.14 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 0.00 78 D 8.46 5.20 0.00 2.78 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 79 A 7.92 4.06 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 80 A 8.11 4.04 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 G 8.45 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 82 F 8.28 3.16 0.00 2.21 2.76 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 0.00 0.00 0.00 0.00 83 K 8.26 3.71 0.00 1.86 1.96 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.37 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 84 A 8.18 3.94 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 85 A 8.07 3.87 1.28 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 0.00 0.00 86 A 7.76 3.80 1.07 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 87 D 8.41 4.25 0.00 2.78 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 88 K 8.21 3.93 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 89 F 8.21 4.20 0.00 3.03 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 90 A 8.28 3.61 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 91 A 8.05 3.85 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 A 7.83 3.90 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 93 V 7.77 3.38 1.62 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 0.84 0.00 0.00 0.07 0.00 0.00 94 D 8.09 4.30 0.00 2.88 2.66 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 95 K 7.86 3.98 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 96 L 8.04 3.93 0.00 1.87 1.84 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.51 4.29 0.00 2.77 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 98 A 8.08 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 99 A 8.31 4.18 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 0.00 100 G 8.16 3.68 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 0.00 0.00 0.00 101 K 7.81 4.20 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 102 T 7.72 4.13 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 1.29 0.00 0.00 103 G 7.86 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 0.00 104 D 8.23 4.55 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.87 3.35 0.00 2.44 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.01 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 0.00 107 Q 8.28 3.87 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 108 I 7.82 3.62 1.71 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.81 0.00 0.00 109 K 7.99 3.68 0.00 1.20 1.71 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.34 7.81 110 A 8.11 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 0.00 111 A 8.09 4.01 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 0.00 112 V 8.37 3.90 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 0.98 0.00 0.00 0.88 0.00 0.00 113 G 8.18 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 0.00 114 E 8.30 3.96 0.00 2.07 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 0.00 2.31 2.36 0.00 115 T 8.46 3.98 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 0.87 0.00 0.00 116 G 8.73 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 0.00 117 G 8.45 3.69 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 0.00 0.00 0.00 118 A 7.94 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.03 3.65 0.00 2.91 2.66 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 0.00 120 K 8.06 3.98 0.00 1.90 1.90 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.33 7.81 121 G 8.29 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.93 4.17 0.00 2.92 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 0.00 123 H 8.22 4.23 0.00 3.30 3.26 0.00 5.71 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 0.00 124 D 8.38 4.41 0.00 2.73 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 0.00 125 K 7.32 4.02 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.33 7.81 126 F 8.31 5.11 0.00 3.25 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 0.00 127 K 7.99 5.04 0.00 1.60 1.64 0.00 1.29 0.00 0.00 1.24 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.28 7.81 128 E 9.38 3.90 0.00 2.23 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 2.34 2.12 0.00 *129 K 7.88 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.