NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.7710 8.4249 118.1269 52.3822 40.0568 174.5737 15 N 5.0439 8.5952 116.5767 51.0538 43.7332 173.8197 16 S 5.0907 8.8528 117.1728 59.1785 64.8118 173.1062 17 Q 4.9682 8.5649 118.8148 54.9745 32.4514 172.7490 18 L 5.0611 9.2911 123.7583 53.5677 44.1502 175.3875 19 V 4.1501 9.2892 128.3883 62.2320 32.7072 175.0133 20 V 4.3243 8.5292 130.1337 61.7823 32.5202 174.3948 21 S 4.8841 9.4009 124.1271 56.0572 62.6169 172.5535 22 V 4.9657 8.0344 116.1347 58.8192 35.8629 173.5389 23 A 4.7637 8.7536 122.2399 50.3944 22.9413 175.2732 24 G 4.3503 8.9061 106.1334 45.0376 0.0000 173.1594 25 T 4.9810 8.4038 116.9165 61.3083 72.9358 173.6185 26 V 4.0385 8.7238 127.9275 62.4990 32.4824 175.3618 27 E 4.0269 8.8687 128.6063 58.4338 29.7908 177.8078 28 G 3.9438 9.5704 110.4142 45.8181 0.0000 172.4023 29 T 4.6758 7.5985 107.9269 60.5719 71.9308 173.2743 30 N 4.7913 8.5828 116.3445 52.9230 39.1212 174.9161 31 Q 4.3613 7.7838 118.6520 55.7994 30.0911 175.1138 32 D 5.2590 8.6122 122.3621 53.2578 43.0799 175.6870 33 I 4.5931 8.7311 120.9506 59.5244 41.1689 174.7703 34 S 4.8128 8.5810 119.8043 57.6050 63.4732 173.3650 35 L 4.7966 8.2135 124.9229 52.3591 45.1003 176.3626 36 K 4.1620 8.8126 124.8396 56.4520 32.7133 175.6129 37 F 5.1739 9.2359 121.7691 55.2754 39.4307 174.7920 38 F 4.9687 8.0449 117.6272 55.0343 41.4802 173.0520 39 E 5.2263 8.9982 116.0572 55.0024 33.2667 175.5881 40 I 4.7286 8.6723 122.5951 59.6928 40.8116 174.8450 41 D 4.9286 8.7716 126.0410 53.8995 42.5906 175.0570 42 L 5.2910 8.4408 121.7844 53.5383 43.9739 176.1136 43 T 4.5799 8.3195 113.7612 61.1152 71.3498 173.1294 44 S 4.2371 9.0779 114.5203 59.7644 62.8063 175.1723 45 R 5.0700 7.5544 125.1134 55.2884 33.1427 171.4281 46 P 4.4119 0.0000 0.0000 63.0312 30.6552 179.4799 *69 A 4.2849 8.8323 126.9624 53.2006 19.6878 176.5663 70 M 4.9848 8.7826 121.1238 52.7904 35.7818 173.2084 71 P 4.7695 0.0000 0.0000 62.7598 32.7765 177.1958 72 H 3.9478 8.9490 117.2438 57.5998 29.8880 174.9404 73 K 4.6909 7.3267 119.7379 54.7464 32.1965 175.8704 74 L 4.4269 8.9310 128.4473 54.2244 43.6155 175.7946 75 E 4.7980 8.4742 120.5581 54.5500 31.9147 176.4137 76 K 3.9572 8.7953 126.1304 60.0786 32.2932 178.5369 77 A 4.0369 8.0662 120.0230 55.1587 18.2785 179.2312 78 D 4.2763 7.9656 116.8631 57.5687 41.0647 178.5361 79 L 4.1025 8.1607 119.5776 58.0313 41.6274 179.7442 80 L 3.8110 7.9613 118.8796 57.6304 41.5094 179.7710 81 K 4.0227 8.0970 118.5154 59.7353 32.4919 178.9380 82 A 4.1253 8.2288 122.0659 55.3122 18.2548 179.7193 83 I 3.9023 7.8283 118.2212 64.3546 37.1231 178.4841 84 Q 3.9343 8.3936 120.8630 59.3063 28.9898 177.7552 85 E 3.9094 8.7625 119.9261 59.6894 29.3440 178.9380 86 Q 3.7156 7.6338 118.0696 59.4641 29.2639 178.3206 87 L 4.0292 8.0181 121.2140 58.4220 41.9409 178.9204 88 I 3.5900 7.8798 111.6345 62.9598 37.5628 177.0165 89 A 4.3239 7.6121 121.5861 53.0767 18.8831 177.4507 90 N 4.6950 7.4637 113.1031 52.8364 38.9969 175.1127 91 V 3.5412 7.4243 112.5926 61.8854 31.9419 175.5574 92 H 4.8538 8.2237 128.0356 55.8375 29.9062 175.6936 93 S 4.3876 8.7387 116.2078 62.1967 63.1315 175.2388 94 N 4.5200 7.9461 116.7715 55.6121 38.9328 174.8169 95 D 4.4297 8.0046 116.8930 54.8605 41.7737 175.8858 96 D 4.8974 8.5300 126.1006 52.9157 43.4847 174.6850 97 Y 4.4907 8.4276 117.1996 58.1808 38.9592 175.2052 98 F 4.9703 8.8411 121.7488 55.5338 43.3920 173.6824 99 E 4.2862 8.5466 123.4853 54.4735 31.0579 175.2307 100 V 3.9449 9.3630 128.5233 63.4681 31.6296 174.9084 101 I 4.2301 8.5769 128.8069 62.6276 38.7094 174.8607 102 D 4.3545 7.3454 118.3120 53.7401 44.6382 173.5346 103 F 4.9468 8.6984 118.0331 56.5519 40.2321 176.1936 104 A 4.5577 9.2986 124.9924 51.1946 19.5437 178.8589 105 S 4.1617 8.7761 113.4078 60.8668 63.1361 174.9202 106 D 4.5997 8.0725 119.1341 53.2755 39.8158 175.4370 107 A 4.6264 7.6097 123.8071 52.4284 18.9619 177.2713 108 T 4.6137 8.6091 111.3923 60.0904 73.3293 172.7304 109 I 5.0874 8.1491 122.6452 59.9351 40.3433 174.8296 110 T 5.9892 9.6180 116.5589 59.1581 73.1437 172.1159 111 D 5.2475 8.5573 121.0087 50.9519 42.5967 177.0795 112 R 4.0386 8.5953 114.5786 58.4758 28.9959 176.8317 113 N 4.6104 8.9613 116.6067 52.7891 38.6322 176.4562 114 G 3.9395 8.6027 106.4051 45.4147 0.0000 174.2233 115 K 3.9227 7.6792 121.9340 56.0580 32.7032 175.4760 116 V 4.5098 7.9610 125.9871 61.7728 32.5558 174.3152 117 Y 4.2022 8.3323 125.9369 56.6182 39.2293 175.0215 118 F 5.0214 8.4678 121.5318 55.4093 41.3916 175.6981 119 A 4.4407 8.7152 125.4972 52.1493 19.2007 177.5593 120 D 4.8082 8.9120 120.4764 52.1158 41.5891 177.1111 121 K 3.8697 8.6744 117.3271 59.7663 31.9503 177.5579 122 D 4.6029 8.4653 115.7019 54.0262 41.1036 177.0362 123 G 3.9639 8.5593 108.4650 45.4958 0.0000 173.1505 124 S 4.9270 9.2815 117.1195 57.2592 65.0944 173.5240 125 V 4.5582 8.7343 123.6851 61.5928 33.7652 174.5433 126 T 4.8249 8.5794 125.7119 62.3127 69.1721 174.3094 127 L 4.2128 8.1301 127.0832 51.9347 43.3847 175.4473 128 P 4.3901 0.0000 0.0000 63.3387 31.9260 176.7884 129 T 3.9003 8.4137 111.3624 63.2031 69.5230 175.1557 130 Q 4.5996 7.6819 119.0681 53.1615 32.0032 173.3593 131 P 4.5748 0.0000 0.0000 61.5558 32.4650 175.9184 132 V 3.9789 8.0879 120.1423 63.4178 32.1514 174.9465 133 Q 4.5024 9.3577 124.8391 55.9159 32.2025 172.2014 134 E 5.1295 8.3580 117.7785 54.8274 31.8484 175.9106 135 F 5.0119 8.9819 120.8417 55.5376 43.4773 173.6409 136 L 5.0876 9.2530 123.4051 53.1943 45.1993 174.9600 137 L 5.1582 9.1590 128.6101 53.5436 44.2728 174.8880 138 S 5.5847 8.1571 120.7873 55.2233 67.2688 171.4794 139 G 4.0945 8.4721 103.3488 42.3587 0.0000 171.9916 140 H 5.4456 8.7869 114.5934 54.1221 32.0502 174.1570 141 V 4.7950 8.5579 120.6416 61.1145 34.3743 174.8223 142 R 4.7142 8.8840 127.5949 56.2011 31.1848 176.0596 143 V 5.0787 8.5955 116.3784 59.4645 36.3564 174.6954 144 R 5.1539 8.5983 119.5111 53.4279 32.6240 173.1363 145 P 4.3552 0.0000 0.0000 63.0298 32.3421 175.4294 146 Y 4.5065 8.0849 120.9125 57.9635 38.2976 175.7833 147 K 4.0160 8.5350 124.8650 57.0186 32.1678 174.7172 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 14 N 8.42 4.77 0.00 2.72 2.71 0.00 0.00 6.71 7.11 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 15 N 8.60 5.04 0.00 2.63 2.70 0.00 0.00 6.84 6.68 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 16 S 8.85 5.09 0.00 3.92 4.10 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 17 Q 8.56 4.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 18 L 9.29 5.06 0.00 1.69 1.55 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.29 4.15 2.09 0.00 0.00 0.00 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 0.97 0.00 0.00 20 V 8.53 4.32 0.89 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 0.62 0.00 0.00 0.61 0.00 0.00 21 S 9.40 4.88 0.00 3.62 3.55 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 22 V 8.03 4.97 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 0.93 0.00 0.00 1.01 0.00 0.00 23 A 8.75 4.76 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 24 G 8.91 4.35 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 0.00 25 T 8.40 4.98 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 1.18 0.00 0.00 26 V 8.72 4.04 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 1.03 0.00 0.00 0.87 0.00 0.00 27 E 8.87 4.03 0.00 1.98 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 2.35 2.39 0.00 28 G 9.57 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 29 T 7.60 4.68 4.25 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 1.30 0.00 0.00 30 N 8.58 4.79 0.00 2.71 2.86 0.00 0.00 6.88 7.69 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 31 Q 7.78 4.36 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 32 D 8.61 5.26 0.00 2.57 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 4.59 1.54 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.55 0.67 0.00 0.00 34 S 8.58 4.81 0.00 3.89 3.76 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 35 L 8.21 4.80 0.00 1.84 1.57 0.92 0.87 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 36 K 8.81 4.16 0.00 1.76 1.79 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.48 7.81 37 F 9.24 5.17 0.00 3.23 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 38 F 8.04 4.97 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 5.23 0.00 1.85 1.87 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 2.22 2.29 0.00 40 I 8.67 4.73 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 0.97 0.00 0.00 41 D 8.77 4.93 0.00 2.62 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 42 L 8.44 5.29 0.00 1.48 1.22 0.75 0.56 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 43 T 8.32 4.58 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 1.23 0.00 0.00 44 S 9.08 4.24 0.00 3.86 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 45 R 7.55 5.07 0.00 1.91 1.86 0.00 3.47 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 46 P 0.00 4.41 0.00 2.08 1.27 0.00 3.77 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 2.03 2.10 0.00 *69 A 8.83 4.28 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 70 M 8.78 4.98 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 71 P 0.00 4.77 0.00 2.27 1.97 0.00 3.58 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 2.12 0.00 72 H 8.95 3.95 0.00 3.10 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.33 4.69 0.00 1.84 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 74 L 8.93 4.43 0.00 1.53 1.53 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.47 4.80 0.00 2.00 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 2.30 2.22 0.00 76 K 8.80 3.96 0.00 2.04 1.93 0.00 1.80 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.71 1.79 7.81 77 A 8.07 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 78 D 7.97 4.28 0.00 2.88 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 79 L 8.16 4.10 0.00 2.11 2.03 0.99 0.64 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 80 L 7.96 3.81 0.00 1.77 1.56 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.10 4.02 0.00 2.07 2.08 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.79 7.81 82 A 8.23 4.13 1.56 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 83 I 7.83 3.90 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.00 0.98 0.00 0.00 84 Q 8.39 3.93 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 85 E 8.76 3.91 0.00 2.05 1.94 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 2.33 2.60 0.00 86 Q 7.63 3.72 0.00 1.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 87 L 8.02 4.03 0.00 1.92 1.84 0.95 1.32 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 88 I 7.88 3.59 1.99 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 0.89 1.10 0.00 0.00 89 A 7.61 4.32 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 N 7.46 4.69 0.00 2.63 2.71 0.00 0.00 7.01 7.28 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 91 V 7.42 3.54 1.73 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 0.13 0.00 0.00 0.71 0.00 0.00 92 H 8.22 4.85 0.00 3.15 3.19 0.00 5.71 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.74 4.39 0.00 3.89 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 94 N 7.95 4.52 0.00 2.77 2.88 0.00 0.00 6.83 8.06 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 95 D 8.00 4.43 0.00 2.67 2.60 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 96 D 8.53 4.90 0.00 2.50 2.53 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 97 Y 8.43 4.49 0.00 3.01 3.36 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 98 F 8.84 4.97 0.00 2.82 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 99 E 8.55 4.29 0.00 1.16 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 2.13 2.16 0.00 100 V 9.36 3.94 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 0.63 0.00 0.00 0.92 0.00 0.00 101 I 8.58 4.23 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.89 0.89 0.00 0.00 102 D 7.35 4.35 0.00 2.65 2.48 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 0.00 103 F 8.70 4.95 0.00 3.04 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 A 9.30 4.56 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 0.00 105 S 8.78 4.16 0.00 4.02 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 0.00 106 D 8.07 4.60 0.00 2.87 2.96 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 0.00 0.00 0.00 107 A 7.61 4.63 1.17 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 0.00 0.00 108 T 8.61 4.61 4.14 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 1.17 0.00 0.00 109 I 8.15 5.09 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.81 0.00 0.00 110 T 9.62 5.99 4.29 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 1.23 0.00 0.00 111 D 8.56 5.25 0.00 2.64 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 0.00 112 R 8.60 4.04 0.00 1.88 2.02 0.00 2.93 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 113 N 8.96 4.61 0.00 2.88 2.84 0.00 0.00 6.80 7.82 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 0.00 114 G 8.60 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 0.00 115 K 7.68 3.92 0.00 1.71 1.96 0.00 1.42 0.00 0.00 0.84 0.00 0.00 2.56 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.95 1.16 7.81 116 V 7.96 4.51 1.76 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 0.20 0.00 0.00 0.84 0.00 0.00 117 Y 8.33 4.20 0.00 2.76 2.80 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 0.00 118 F 8.47 5.02 0.00 2.96 2.95 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 0.00 119 A 8.72 4.44 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 0.00 120 D 8.91 4.81 0.00 2.81 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 0.00 121 K 8.67 3.87 0.00 1.78 1.94 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.43 7.81 122 D 8.47 4.60 0.00 2.79 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 0.00 123 G 8.56 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 124 S 9.28 4.93 0.00 3.91 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 0.00 125 V 8.73 4.56 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 0.85 0.00 0.00 0.93 0.00 0.00 126 T 8.58 4.82 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 1.20 0.00 0.00 127 L 8.13 4.21 0.00 0.81 0.15 -0.16 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 0.00 0.00 0.00 0.00 128 P 0.00 4.39 0.00 2.22 2.11 0.00 3.69 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 2.32 2.28 0.00 129 T 8.41 3.90 4.13 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 1.05 0.00 0.00 130 Q 7.68 4.60 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 131 P 0.00 4.57 0.00 2.03 2.00 0.00 3.69 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 2.02 2.07 0.00 132 V 8.09 3.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 133 Q 9.36 4.50 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.54 0.00 0.00 0.00 0.00 0.00 1.96 1.31 0.00 134 E 8.36 5.13 0.00 1.72 1.82 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 2.19 2.24 0.00 135 F 8.98 5.01 0.00 2.90 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 0.00 136 L 9.25 5.09 0.00 1.66 1.47 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.16 5.16 0.00 1.65 1.44 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.16 5.58 0.00 3.86 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 0.00 139 G 8.47 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.79 5.45 0.00 3.30 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.56 4.79 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 0.86 0.00 0.00 0.92 0.00 0.00 142 R 8.88 4.71 0.00 1.88 1.82 0.00 3.14 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 143 V 8.60 5.08 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 0.68 0.00 0.00 0.66 0.00 0.00 144 R 8.60 5.15 0.00 1.87 1.98 0.00 2.91 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 145 P 0.00 4.36 0.00 2.00 2.09 0.00 3.83 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 2.01 2.07 0.00 146 Y 8.08 4.51 0.00 3.08 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 0.00 147 K 8.53 4.02 0.00 1.64 1.61 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.