NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 E 4.3567 8.4293 118.7999 55.9797 31.5046 175.3243 0 T 4.4709 7.0762 107.0671 59.2706 72.1822 170.9384 1 M 3.1193 9.8128 120.1696 56.9366 30.6629 179.1107 2 K 4.6000 8.3401 117.6513 56.5999 35.1509 177.3417 3 F 5.3517 8.2439 121.8302 56.4954 43.0636 172.8880 4 M 5.3194 8.2851 124.5169 53.6246 35.5175 173.8855 5 A 4.9374 9.4664 126.4712 49.9852 22.8242 174.5487 6 E 5.0906 9.4290 121.5698 54.6153 33.2010 174.0988 7 N 5.2770 9.3088 125.0837 52.0087 40.5338 173.9093 8 R 4.8389 9.4287 126.3050 54.8474 31.9873 174.7776 9 L 5.1348 9.1931 127.2395 53.4055 44.3212 175.5611 10 T 4.7873 8.5071 121.2865 62.2880 70.0156 174.1114 11 L 5.3882 9.0723 126.2805 52.5970 45.9122 176.1650 12 T 4.3972 8.2811 117.3096 63.2915 69.5372 174.5054 13 K 4.1064 8.5955 127.1261 57.9422 32.6376 176.4541 14 G 4.1066 10.2359 115.9994 45.9537 0.0000 174.8763 15 T 4.3057 7.8171 108.8350 61.8580 69.1728 176.2586 16 A 4.0259 8.1108 124.8196 55.4485 18.3748 179.4102 17 K 3.8884 8.0255 117.3193 59.9494 32.1705 178.4575 18 D 4.3621 8.0698 117.0897 57.4379 41.0551 178.6152 19 I 3.9167 7.5858 120.3201 64.4401 37.1548 178.4550 20 I 3.8682 7.9006 120.6190 64.6611 36.9860 178.3566 21 E 2.5400 8.1165 119.0717 58.6138 28.9315 179.1865 22 R 3.9258 7.5485 117.4737 58.1649 28.8257 177.3058 23 F 4.6299 8.2510 116.7316 57.7878 39.1092 176.8643 24 Y 4.4448 7.9641 117.6985 60.0397 37.8720 176.0367 25 T 4.3506 7.0586 110.1656 59.7915 67.9828 174.5442 26 R 4.1098 8.2520 123.8722 56.8782 30.0863 177.4119 27 H 3.9597 8.8135 114.2199 56.9926 26.3516 174.9838 28 G 4.0599 8.2084 105.7269 46.8801 0.0000 176.1393 29 I 3.6808 7.3125 121.1037 63.3129 38.0788 177.6669 30 E 4.0801 7.7782 118.9734 58.2610 29.4652 177.8699 31 T 4.4025 7.4917 108.0145 62.1911 70.1196 175.9463 32 L 4.3631 8.0299 129.1321 56.8998 41.5939 177.9134 34 G 4.1087 8.4354 111.0957 48.0248 0.0000 173.5315 35 F 4.2313 8.0212 126.3902 57.4394 39.9061 174.7202 36 D 4.4510 8.1242 126.8299 52.8450 43.0981 176.3554 37 G 3.5970 5.3800 105.8769 46.2602 0.0000 170.8607 38 M 5.2302 7.3434 115.7101 53.9153 34.2321 174.3149 39 F 4.9824 9.3652 119.0908 55.7819 43.4586 173.8994 40 V 4.8249 8.7326 122.7500 61.4163 33.6582 174.4350 41 T 4.7978 8.7541 117.5196 59.8103 72.5675 172.5423 42 Q 5.0114 8.3244 122.0889 54.3419 31.6200 174.8169 43 T 4.0930 8.5487 124.0792 63.6982 68.9335 174.6580 44 L 4.3427 8.5395 125.8905 54.8072 42.9164 175.6380 45 E 3.7916 8.5341 116.4377 57.7202 26.7627 174.4374 46 Q 4.5835 8.1420 116.8500 54.6878 30.3856 175.3791 47 E 4.4139 8.7957 121.5734 57.8650 31.0489 176.9601 48 D 4.3201 7.9712 116.7198 56.0013 41.5803 176.2097 49 F 5.0083 7.6436 114.3762 56.1107 43.5321 173.8214 50 D 5.0662 9.1946 120.3902 52.9703 43.6515 175.3597 51 E 5.1004 8.6263 121.3580 54.5461 33.0717 174.1420 52 V 5.3167 8.7846 126.8681 60.1964 34.5950 174.1101 53 K 5.0150 8.2011 123.6867 54.7142 35.2140 175.2134 54 I 4.6061 8.8127 126.4373 59.8599 38.7555 174.3412 55 L 5.2255 9.2991 129.0181 53.4034 43.5161 175.9998 56 T 4.9068 9.4073 114.6011 59.7534 71.7539 173.0154 57 V 4.6996 7.9027 124.7356 60.9999 34.0940 174.4380 58 W 5.6446 9.8588 127.2353 54.8488 33.4919 175.7559 59 K 4.5379 9.0697 119.4654 58.1256 33.0827 176.8833 60 S 4.6339 7.8454 113.7004 56.1269 65.3310 176.1124 61 K 2.4800 8.1665 122.2235 59.1250 31.7165 178.7915 62 Q 3.9345 8.0842 120.4827 58.3421 29.0190 177.8527 63 A 4.0029 7.8523 122.0127 54.9330 18.4158 179.4843 64 F 2.6719 7.1024 117.9262 61.1908 39.3139 177.6285 65 T 3.3419 7.8506 109.7948 64.7477 68.3524 176.1099 66 D 4.1931 8.2509 122.1250 56.6948 40.7274 178.4010 67 W 4.2248 7.6320 128.4633 60.5042 30.4678 177.9068 68 L 2.4400 7.0940 117.7197 56.5610 40.9125 178.6741 69 K 4.1885 7.0839 115.8668 55.2281 32.4029 176.6345 70 S 4.6306 7.3887 116.0673 57.1523 64.8531 174.9901 71 D 4.3983 8.4708 120.0398 57.3078 40.6506 179.4357 72 V 3.7916 7.8506 112.6802 63.9802 31.5262 178.2447 73 F 3.9739 8.0172 120.6623 61.0529 39.1436 177.2175 74 K 3.7355 7.7772 117.6998 59.5545 31.8825 179.1756 75 A 3.8707 8.0232 120.6069 55.0366 18.0004 179.5466 76 A 3.6912 7.7728 118.9621 55.2231 18.2800 179.3241 77 H 3.8972 7.8589 116.2539 58.7407 29.9165 176.9226 78 K 4.0961 7.8681 120.6960 58.8978 32.1344 177.9531 79 H 4.2584 7.9479 118.5332 57.5591 30.0377 175.6573 80 V 3.9741 6.4059 118.3701 59.8055 33.3550 173.8596 *90 P 4.4943 0.0000 0.0000 62.7023 33.8755 176.5263 91 I 4.0842 7.7888 121.5242 61.9499 36.5820 176.2260 92 I 4.0152 8.8511 129.5128 63.7956 37.6595 176.3873 93 N 5.1612 7.9355 117.1290 51.5968 43.2244 173.4753 94 N 4.9937 8.5082 119.0762 52.9016 41.3028 173.2925 95 K 4.7773 9.2598 127.8468 54.5133 36.0203 174.6880 96 V 5.0494 8.4863 124.8612 61.3045 33.9568 174.6650 97 I 4.8009 8.9276 127.4764 59.6807 41.3332 174.3751 98 T 4.7588 7.9349 113.7550 60.3168 72.0798 172.3316 99 Y 4.7906 8.0596 118.7803 56.8461 43.1642 173.5322 100 D 5.1674 8.6646 121.2034 53.1426 42.4630 176.3100 101 I 4.1079 8.8026 126.2010 60.5835 37.0859 176.3965 102 G 3.8878 8.8303 116.1500 46.2179 0.0000 172.2980 103 Y 4.5796 7.3670 117.0741 56.8611 41.5945 173.0818 104 S 4.3104 7.7237 120.4382 56.7491 66.0462 173.3853 105 Y 4.1192 8.0177 122.9637 56.3852 39.5097 173.4313 106 M 4.3971 8.0278 126.7753 53.2866 33.2112 176.7521 107 K 3.9690 8.5591 122.3217 56.8817 33.1212 176.4916 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 E 8.43 4.36 0.00 2.10 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 0.00 2.17 2.29 0.00 0 T 7.08 4.47 4.60 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 1.25 0.00 0.00 1 M 9.81 3.12 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 2 K 8.34 4.60 0.00 1.88 1.93 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.56 7.81 3 F 8.24 5.35 0.00 3.20 3.01 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 4 M 8.29 5.32 0.00 1.98 1.74 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 2.53 2.42 0.00 5 A 9.47 4.94 0.79 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 6 E 9.43 5.09 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 7 N 9.31 5.28 0.00 2.86 2.92 0.00 0.00 6.13 7.17 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 8 R 9.43 4.84 0.00 2.10 1.84 0.00 3.33 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 9 L 9.19 5.13 0.00 1.69 1.60 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.51 4.79 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 0.88 0.00 0.00 11 L 9.07 5.39 0.00 1.58 1.60 0.98 0.59 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 12 T 8.28 4.40 4.30 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 1.24 0.00 0.00 13 K 8.60 4.11 0.00 1.76 1.66 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.49 7.81 14 G 10.24 4.11 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 0.00 0.00 0.00 15 T 7.82 4.31 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 1.24 0.00 0.00 16 A 8.11 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 3.89 0.00 1.83 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.68 1.51 7.81 18 D 8.07 4.36 0.00 2.67 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 19 I 7.59 3.92 2.09 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 1.72 1.25 1.12 0.00 0.00 20 I 7.90 3.87 2.07 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 1.56 0.81 1.11 0.00 0.00 21 E 8.12 2.54 0.00 1.96 1.70 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 2.26 2.07 0.00 22 R 7.55 3.93 0.00 1.97 1.71 0.00 3.06 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 23 F 8.25 4.63 0.00 3.38 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 Y 7.96 4.44 0.00 2.96 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 25 T 7.06 4.35 4.02 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 1.20 0.00 0.00 26 R 8.25 4.11 0.00 1.98 2.25 0.00 3.05 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 27 H 8.81 3.96 0.00 3.39 3.45 0.00 5.72 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 28 G 8.21 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.31 3.68 1.74 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.85 0.28 0.00 0.00 30 E 7.78 4.08 0.00 2.10 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 0.00 2.37 2.18 0.00 31 T 7.49 4.40 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 1.23 0.00 0.00 32 L 8.03 4.36 0.00 2.02 1.81 1.41 1.42 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 34 G 8.44 4.11 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 0.00 0.00 0.00 35 F 8.02 4.23 0.00 2.65 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 36 D 8.12 4.45 0.00 2.29 2.37 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 37 G 5.38 3.60 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 0.00 0.00 0.00 38 M 7.34 5.23 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 39 F 9.37 4.98 0.00 2.88 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 40 V 8.73 4.82 2.14 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 0.67 0.00 0.00 0.81 0.00 0.00 41 T 8.75 4.80 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 1.18 0.00 0.00 42 Q 8.32 5.01 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 43 T 8.55 4.09 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 1.28 0.00 0.00 44 L 8.54 4.34 0.00 1.63 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.53 3.79 0.00 2.12 2.05 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 2.21 2.31 0.00 46 Q 8.14 4.58 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 47 E 8.80 4.41 0.00 1.92 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 2.23 2.24 0.00 48 D 7.97 4.32 0.00 2.61 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 49 F 7.64 5.01 0.00 2.92 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 50 D 9.19 5.07 0.00 2.66 2.62 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 51 E 8.63 5.10 0.00 2.03 1.78 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 2.28 2.29 0.00 52 V 8.78 5.32 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 1.09 0.00 0.00 0.97 0.00 0.00 53 K 8.20 5.02 0.00 1.78 1.69 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.39 7.81 54 I 8.81 4.61 1.92 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 0.28 -0.16 0.94 0.00 0.00 55 L 9.30 5.23 0.00 1.71 1.65 0.88 0.66 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 56 T 9.41 4.91 4.06 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 0.00 0.00 0.00 1.26 0.00 0.00 57 V 7.90 4.70 1.71 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 0.95 0.00 0.00 0.85 0.00 0.00 58 W 9.86 5.64 0.00 3.58 3.35 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 59 K 9.07 4.54 0.00 2.07 2.00 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 60 S 7.85 4.63 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.17 2.48 0.00 1.21 1.54 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.23 0.99 7.81 62 Q 8.08 3.93 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 63 A 7.85 4.00 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 64 F 7.10 2.67 0.00 2.30 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 65 T 7.85 3.34 4.03 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 0.00 0.00 0.00 1.14 0.00 0.00 66 D 8.25 4.19 0.00 2.92 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 W 7.63 4.22 0.00 3.33 3.06 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 0.00 0.00 0.00 0.00 68 L 7.09 2.44 0.00 1.18 1.01 -0.17 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.08 4.19 0.00 1.72 1.70 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.19 7.81 70 S 7.39 4.63 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 71 D 8.47 4.40 0.00 2.77 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 72 V 7.85 3.79 2.37 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 1.10 0.00 0.00 1.32 0.00 0.00 73 F 8.02 3.97 0.00 2.26 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 74 K 7.78 3.74 0.00 1.98 1.80 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.70 7.81 75 A 8.02 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 76 A 7.77 3.69 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 77 H 7.86 3.90 0.00 2.42 3.08 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.87 4.10 0.00 1.80 1.79 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 79 H 7.95 4.26 0.00 3.15 3.32 0.00 5.99 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 80 V 6.41 3.97 1.66 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 0.76 0.00 0.00 0.91 0.00 0.00 *90 P 0.00 4.49 0.00 2.15 2.20 0.00 3.61 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 2.02 2.14 0.00 91 I 7.79 4.08 1.89 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 1.39 0.50 0.99 0.00 0.00 92 I 8.85 4.02 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.85 0.00 0.00 93 N 7.94 5.16 0.00 2.52 2.62 0.00 0.00 6.47 6.92 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 94 N 8.51 4.99 0.00 2.72 2.71 0.00 0.00 6.71 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 95 K 9.26 4.78 0.00 1.85 1.61 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 96 V 8.49 5.05 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 1.13 0.00 0.00 1.19 0.00 0.00 97 I 8.93 4.80 1.77 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 1.26 0.40 0.48 0.00 0.00 98 T 7.93 4.76 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 1.17 0.00 0.00 99 Y 8.06 4.79 0.00 2.61 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 0.00 100 D 8.66 5.17 0.00 2.63 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 0.00 101 I 8.80 4.11 2.05 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 1.11 0.48 0.99 0.00 0.00 102 G 8.83 3.89 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 0.00 0.00 0.00 103 Y 7.37 4.58 0.00 2.88 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 0.00 104 S 7.72 4.31 0.00 3.81 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 0.00 105 Y 8.02 4.12 0.00 2.72 2.78 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 0.00 106 M 8.03 4.40 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 107 K 8.56 3.97 0.00 1.94 2.09 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.