NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2623 8.2993 121.7817 56.4602 33.2168 174.0133 4 V 4.2842 8.1069 116.7127 59.3606 31.8479 173.9375 5 C 4.4694 9.9974 125.3293 59.5953 32.8365 175.1631 6 E 3.9972 8.4734 124.3534 57.5019 29.6064 177.2955 7 I 4.3992 7.6067 117.5678 62.7542 39.5951 176.7520 8 S 4.2453 7.9906 113.2207 58.8007 63.4317 175.8124 9 G 3.9751 7.5343 109.2306 45.1558 0.0000 174.1214 10 K 3.7975 7.2623 118.8637 57.1904 32.5016 175.9408 11 R 4.9117 8.1342 118.0128 53.2992 32.7444 172.5295 12 P 4.7123 0.0000 0.0000 63.1669 32.0724 175.3004 13 I 4.7353 7.9722 111.5881 59.2614 41.3555 174.1903 14 V 4.5817 8.2688 122.6041 62.1851 33.2063 174.4784 15 A 4.6194 8.4432 126.4608 51.4103 23.2337 174.7038 16 N 5.1559 8.5768 116.2659 52.0254 41.4698 175.0855 17 S 4.5671 9.3456 116.3994 56.9852 64.2198 172.8731 18 I 4.6850 8.2714 128.9443 59.8958 38.5003 175.4752 19 Q 4.4545 9.4438 128.1656 54.9129 29.7828 175.3556 20 R 5.2368 8.5959 122.5529 54.4431 33.7965 175.2185 21 R 4.6348 9.1121 119.6582 55.1147 34.7209 175.6318 22 G 4.1292 8.9143 107.6728 45.3519 0.0000 173.5898 23 K 3.9748 8.2559 122.7797 55.4394 32.9800 176.5431 24 A 4.1573 8.4663 128.2861 52.5431 19.3408 177.9846 25 K 4.0972 8.5104 118.8976 58.5827 32.8203 178.7418 26 R 4.0130 8.0361 113.6430 58.5676 28.6781 176.1229 27 E 4.4142 7.2088 115.9355 56.4110 32.5156 178.2302 28 G 3.8473 8.4076 107.7655 45.5098 0.0000 175.9293 29 G 3.9388 9.0888 116.3134 46.6024 0.0000 174.1564 30 V 3.0999 9.9378 113.0340 61.9380 30.8667 173.9866 31 G 3.9284 10.4717 102.2579 44.3711 0.0000 172.6240 32 K 4.3473 8.0160 119.1654 56.2536 32.9238 176.1459 33 K 4.5405 8.7589 122.3478 54.9928 36.3880 175.7066 34 T 4.4142 8.6535 122.3631 63.9559 67.9395 174.4398 35 T 4.0276 9.3557 123.6599 64.2813 68.1383 174.8553 36 G 4.1108 7.2971 105.3537 45.6348 0.0000 172.5294 37 I 5.0415 8.5565 122.9678 59.3903 39.8903 174.7663 38 S 4.8156 9.0200 122.1185 56.0167 65.7083 173.3630 39 K 4.6223 8.5878 126.1212 56.0416 33.5118 175.4666 40 R 4.3858 7.6333 117.3513 56.1206 32.8159 173.3006 41 R 4.6512 8.4178 118.4747 54.8573 32.6579 176.6796 42 Q 4.3473 8.3700 120.9062 53.5904 29.3137 174.6653 43 Y 4.7041 7.5960 119.9031 57.2823 39.3232 173.4222 44 P 4.6790 0.0000 0.0000 61.2754 32.9923 174.8896 45 N 4.4946 8.6876 122.2640 53.8775 38.2774 170.8983 46 L 5.0922 8.1745 123.9604 53.1747 43.9597 174.7536 47 Q 5.0483 8.3805 126.8777 54.1916 32.5102 173.8244 48 K 5.0192 8.6605 118.2262 55.3934 35.4262 176.0052 49 V 4.5867 8.8597 124.2640 61.2316 34.3470 174.6253 50 R 5.8832 8.7960 125.1355 53.3910 33.7314 174.9502 51 V 3.9581 7.7594 119.3305 63.2516 33.4596 173.9668 52 R 4.1548 8.9720 122.0035 55.5734 28.7298 174.8734 53 V 3.0616 9.3983 132.2740 63.4291 31.8934 167.9413 54 A 3.8897 8.4389 131.0187 52.0200 17.6114 176.5780 55 G 4.2558 7.7063 103.3729 46.0959 0.0000 173.3025 56 Q 4.2207 7.9160 118.8725 55.9220 30.1128 174.7301 57 E 4.9167 8.5334 120.1454 54.7869 31.9508 174.8253 58 I 4.6052 8.9950 125.8614 59.3410 41.3674 173.9227 59 T 5.0426 8.2651 118.9006 60.4932 71.0007 174.3183 60 F 4.8937 9.1377 122.5371 55.9067 42.8825 174.5841 61 R 4.8104 9.6547 129.0515 54.4471 28.2826 175.2736 62 V 4.6744 7.5633 123.3781 59.4757 35.1721 176.2902 63 A 4.5578 8.3442 123.8795 51.6270 19.3278 177.3416 64 A 4.2803 8.6519 121.8630 54.8495 18.9781 180.4688 65 S 4.2305 8.1095 109.1333 60.9537 62.2899 174.5151 66 H 4.8841 7.9796 117.7324 55.7380 29.2857 176.8581 67 I 3.5760 7.6037 121.6463 63.7782 37.0212 175.9015 68 P 3.8683 0.0000 0.0000 66.1089 30.6594 177.7653 69 K 3.7760 7.4662 119.2643 59.3971 31.8515 178.6228 70 V 3.3691 8.2443 118.5995 66.2217 31.3683 177.3981 71 Y 3.9372 8.3295 115.7649 61.1630 37.6785 177.8010 72 E 3.9269 8.1694 119.9623 59.7255 29.4270 178.7334 73 L 3.9572 7.6002 117.2122 58.2985 42.0122 179.7098 74 V 3.7464 7.5661 117.6105 65.6037 31.4222 177.6131 75 E 3.9345 8.2252 119.2048 59.4261 29.3841 178.6868 76 R 4.2257 8.6606 114.5238 57.2631 29.9377 177.5909 77 A 4.4092 7.8161 121.7792 53.6558 19.6696 178.8979 78 K 3.9696 7.7084 115.8989 60.1244 32.5814 178.5818 79 G 3.9090 7.7506 108.1005 43.1706 0.0000 171.7378 80 L 4.1659 7.0586 117.0186 54.4226 45.3646 173.8058 81 K 4.2077 8.8418 126.2315 56.2865 32.1530 176.4294 82 L 4.8654 8.0991 123.4437 52.5569 46.4026 176.6576 83 E 4.7630 9.1115 119.7159 57.1787 32.2821 179.7541 84 G 3.4073 9.8479 97.2281 47.8228 0.0000 173.4042 85 L 3.4919 7.4406 120.4605 56.1781 38.3873 175.4718 86 S 5.5043 7.8729 124.4816 54.2039 63.5019 172.5105 87 P 4.2201 0.0000 0.0000 65.9530 31.3196 178.6019 88 K 3.9229 7.7539 118.7045 58.6055 32.6783 178.6499 89 E 3.9091 8.2863 118.4599 60.0024 29.1397 179.6168 90 I 3.7640 7.7864 118.5429 63.9830 37.3797 178.2623 91 K 4.0846 7.5382 119.7017 59.5077 31.8608 178.3223 92 K 3.8242 8.4908 119.2705 59.9390 32.1977 178.1310 93 E 4.1791 8.7750 118.4893 57.7239 30.8031 178.7900 94 L 4.3115 7.5484 120.7957 54.7502 39.2949 177.0151 95 L 3.2351 8.0145 122.3381 57.1646 43.6447 174.9712 *96 K 4.1330 7.7448 121.9376 54.7415 32.3453 177.6053 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 3 K 8.30 4.26 0.00 1.69 1.82 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 4 V 8.11 4.28 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 0.75 0.00 0.00 1.02 0.00 0.00 5 C 10.00 4.47 0.00 2.94 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 6 E 8.47 4.00 0.00 2.15 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 2.42 2.53 0.00 7 I 7.61 4.40 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.91 0.00 0.00 8 S 7.99 4.25 0.00 3.76 3.46 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 9 G 7.53 3.98 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 0.00 0.00 0.00 10 K 7.26 3.80 0.00 1.81 1.78 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.33 7.81 11 R 8.13 4.91 0.00 1.87 1.87 0.00 3.05 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 12 P 0.00 4.71 0.00 2.14 2.42 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 13 I 7.97 4.74 1.85 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 1.06 0.74 0.93 0.00 0.00 14 V 8.27 4.58 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 0.82 0.00 0.00 0.90 0.00 0.00 15 A 8.44 4.62 1.18 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 0.00 0.00 16 N 8.58 5.16 0.00 2.59 2.73 0.00 0.00 6.67 7.57 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 17 S 9.35 4.57 0.00 3.80 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 18 I 8.27 4.69 1.86 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 0.59 0.90 0.00 0.00 19 Q 9.44 4.45 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 20 R 8.60 5.24 0.00 1.64 1.79 0.00 3.14 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 21 R 9.11 4.63 0.00 1.70 1.76 0.00 3.08 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 22 G 8.91 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 0.00 0.00 0.00 0.00 23 K 8.26 3.97 0.00 1.73 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 A 8.47 4.16 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 25 K 8.51 4.10 0.00 1.79 1.79 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 26 R 8.04 4.01 0.00 1.95 2.07 0.00 3.07 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 27 E 7.21 4.41 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 28 G 8.41 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.09 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 30 V 9.94 3.10 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 10.47 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.02 4.35 0.00 1.71 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.65 7.81 33 K 8.76 4.54 0.00 1.69 1.63 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 34 T 8.65 4.41 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 1.26 0.00 0.00 35 T 9.36 4.03 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 1.24 0.00 0.00 36 G 7.30 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 37 I 8.56 5.04 1.86 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 1.22 0.71 0.90 0.00 0.00 38 S 9.02 4.82 0.00 3.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.62 0.00 1.78 1.68 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.47 7.81 40 R 7.63 4.39 0.00 1.90 1.93 0.00 2.76 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 41 R 8.42 4.65 0.00 0.92 1.15 0.00 3.24 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 42 Q 8.37 4.35 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 43 Y 7.60 4.70 0.00 2.89 2.82 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 44 P 0.00 4.68 0.00 2.19 2.07 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 45 N 8.69 4.49 0.00 2.85 2.81 0.00 0.00 6.67 6.66 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 46 L 8.17 5.09 0.00 1.76 1.72 0.93 0.76 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 47 Q 8.38 5.05 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 48 K 8.66 5.02 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 49 V 8.86 4.59 2.35 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 1.27 0.00 0.00 1.04 0.00 0.00 50 R 8.80 5.88 0.00 1.73 1.81 0.00 3.42 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 51 V 7.76 3.96 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 0.78 0.00 0.00 0.78 0.00 0.00 52 R 8.97 4.15 0.00 1.78 1.72 0.00 3.51 0.00 0.00 2.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 53 V 9.40 3.06 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 0.74 0.00 0.00 0.94 0.00 0.00 54 A 8.44 3.89 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 55 G 7.71 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 0.00 0.00 0.00 0.00 56 Q 7.92 4.22 0.00 1.96 2.05 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 2.43 2.29 0.00 57 E 8.53 4.92 0.00 1.93 1.77 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 2.16 2.25 0.00 58 I 9.00 4.61 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.39 0.85 0.00 0.00 59 T 8.27 5.04 4.17 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 1.18 0.00 0.00 60 F 9.14 4.89 0.00 2.98 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 61 R 9.65 4.81 0.00 1.91 1.88 0.00 3.13 0.00 0.00 3.33 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 62 V 7.56 4.67 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 0.74 0.00 0.00 0.97 0.00 0.00 63 A 8.34 4.56 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 64 A 8.65 4.28 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 65 S 8.11 4.23 0.00 4.05 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 0.00 66 H 7.98 4.88 0.00 3.15 3.27 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.60 3.58 1.76 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 1.60 0.85 0.80 0.00 0.00 68 P 0.00 3.87 0.00 2.15 2.18 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 69 K 7.47 3.78 0.00 1.96 1.95 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 70 V 8.24 3.37 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 0.95 0.00 0.00 0.69 0.00 0.00 71 Y 8.33 3.94 0.00 3.30 3.03 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 0.00 72 E 8.17 3.93 0.00 2.07 2.18 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 2.32 2.39 0.00 73 L 7.60 3.96 0.00 1.82 1.75 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.57 3.75 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 0.96 0.00 0.00 1.00 0.00 0.00 75 E 8.23 3.93 0.00 2.12 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 2.32 2.41 0.00 76 R 8.66 4.23 0.00 1.72 1.96 0.00 3.20 0.00 0.00 3.36 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 77 A 7.82 4.41 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 78 K 7.71 3.97 0.00 1.82 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.70 7.81 79 G 7.75 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 0.00 0.00 0.00 0.00 80 L 7.06 4.17 0.00 1.58 1.72 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.84 4.21 0.00 1.79 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.46 7.81 82 L 8.10 4.87 0.00 1.56 1.50 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.11 4.76 0.00 2.06 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 2.02 2.08 0.00 84 G 9.85 3.41 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 0.00 85 L 7.44 3.49 0.00 1.72 2.04 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.87 5.50 0.00 3.80 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 87 P 0.00 4.22 0.00 2.22 2.21 0.00 4.04 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 2.05 2.01 0.00 88 K 7.75 3.92 0.00 1.78 1.82 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.45 7.81 89 E 8.29 3.91 0.00 2.04 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 2.41 2.43 0.00 90 I 7.79 3.76 1.90 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 1.53 0.67 0.91 0.00 0.00 91 K 7.54 4.08 0.00 1.81 1.93 0.00 1.32 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.42 1.19 7.81 92 K 8.49 3.82 0.00 1.73 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.56 7.81 93 E 8.78 4.18 0.00 1.94 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 2.67 2.51 0.00 94 L 7.55 4.31 0.00 1.97 1.77 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.01 3.24 0.00 1.68 1.68 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.74 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 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.