NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 T 3.9931 8.1749 115.2430 62.9291 68.3897 175.4883 1 M 3.1939 8.0868 119.7501 54.9888 27.7478 175.2022 2 K 4.7657 9.6360 119.3630 55.4092 36.4407 174.9420 3 F 5.2856 8.1579 122.3365 56.7795 43.3749 172.5041 4 M 5.2869 8.3252 124.3966 53.6443 35.6708 173.5956 5 A 4.9125 9.0094 127.1226 49.9531 22.3849 174.6478 6 E 5.0532 9.5331 122.3809 54.3892 33.1468 173.9719 7 N 5.2949 9.0787 126.1692 52.1745 40.7429 173.0507 8 R 4.7869 8.9420 128.5796 54.9313 31.9616 174.7549 9 L 5.0992 9.1666 127.1639 53.3922 44.3573 175.5003 10 T 4.8673 8.7148 121.4689 62.2735 70.2458 174.1484 11 L 5.5255 9.0759 125.9948 52.5795 46.3139 176.0087 12 T 4.3715 8.5565 111.5879 61.3335 70.0808 173.3146 13 K 3.8977 8.6458 125.9957 59.7776 31.9742 176.0014 14 G 4.1071 11.3000 116.0222 45.9925 0.0000 173.9728 15 T 4.2687 8.1674 108.7334 61.8208 69.8346 176.6142 16 A 4.2309 8.3205 126.4087 55.5234 17.9934 179.1481 17 K 3.7302 7.5065 111.1160 60.8550 32.4054 177.6229 18 D 4.3187 7.6956 118.3939 55.5478 40.7800 178.9259 19 I 3.5057 7.7844 119.3133 63.0281 38.9520 177.7314 20 I 4.0688 7.9366 119.8885 64.5178 37.7960 177.4136 21 E 2.7178 8.0063 118.8057 57.9024 28.9527 178.6095 22 R 4.0560 7.3891 114.5965 57.4659 30.1366 177.4427 23 F 4.8496 7.9573 117.9931 58.3523 39.6259 177.0349 24 Y 4.3004 7.9088 114.5575 60.5684 37.8325 176.4511 25 T 4.0954 7.2621 115.8945 63.1582 69.8843 174.2136 *28 G 4.2283 8.1306 108.2158 46.7421 0.0000 173.0445 29 I 3.8827 7.0978 118.9228 62.1577 39.2405 176.4007 30 E 4.0270 7.5866 116.7308 57.3539 29.6111 178.1553 31 T 4.0929 7.4703 109.5587 63.4926 69.3037 175.2336 32 L 4.3004 7.5149 122.8245 54.3916 42.3305 177.7271 33 E 4.0301 8.9152 123.2074 59.2825 30.0365 177.7697 34 G 4.0767 8.2513 103.7880 47.0747 0.0000 172.8872 35 F 4.3523 7.9290 123.1055 57.3017 39.6147 174.9668 36 D 4.4007 8.1308 125.2101 52.9854 43.3341 176.4630 37 G 3.7050 5.3800 106.0280 46.2304 0.0000 171.0871 38 M 5.3285 7.6347 115.9800 53.9015 34.3929 174.3285 39 F 4.8602 9.6728 118.7109 55.7132 43.5573 173.9895 40 V 4.9282 8.5346 121.8423 61.4093 33.8537 174.4938 41 T 4.8312 9.0879 117.5834 59.8298 72.6491 172.4469 42 Q 5.0530 8.3621 121.9423 54.5328 31.8024 174.5616 43 T 4.2114 8.5210 123.8501 63.4305 68.8502 174.7376 44 L 4.3732 8.6175 125.7433 54.7183 43.0014 176.1202 45 E 3.9161 8.6242 117.1781 57.4491 27.0674 174.8116 46 Q 4.3183 7.4474 118.5246 55.1925 29.0198 176.1469 47 E 4.0848 8.9831 123.4090 59.4129 29.7458 177.8264 48 D 4.5795 8.0005 115.4402 54.8251 42.3350 175.7572 49 F 4.9287 8.0562 114.7914 56.1935 43.6846 173.3905 50 D 5.0777 9.2282 120.0137 53.1283 43.7735 175.5172 51 E 5.1690 8.5347 120.2997 54.6676 33.3381 173.9970 52 V 5.3354 8.8621 126.4715 60.0899 34.7751 174.1000 53 K 4.9619 8.2432 125.4443 54.7127 35.5570 175.1644 54 I 4.6774 8.6901 126.6120 59.9629 38.5432 174.3960 55 L 5.3167 9.4715 129.2130 53.4220 43.7302 176.1276 56 T 4.9565 8.9291 113.2540 59.8855 72.1478 172.7558 57 V 4.7065 8.6538 125.9744 61.0638 33.9216 174.4811 58 W 5.3946 9.5962 126.6985 54.7755 33.0440 176.4545 59 K 4.5321 9.5340 121.6012 59.2753 32.0398 177.5438 60 S 4.6680 7.9375 112.3673 55.6861 65.7370 175.0797 61 K 2.0000 8.2821 121.3719 58.5283 31.5958 178.5976 62 Q 3.7690 7.8467 119.5264 59.0925 28.9594 177.4988 63 A 3.9845 7.6428 121.1010 55.4829 18.4196 179.1133 64 F 2.6787 6.9559 117.8106 61.3068 39.3127 177.3273 65 T 3.4723 7.6228 114.9838 66.6860 68.0501 175.9286 66 D 4.2701 7.8859 119.3558 57.2736 41.0055 178.2928 67 W 4.6280 7.8799 127.2802 60.9905 30.6769 177.5611 68 L 3.6727 7.4752 117.2419 55.8763 42.3234 177.7896 69 K 4.2352 7.3034 116.9294 54.6502 32.2996 176.3689 *80 V 3.9206 7.5724 130.2214 64.0667 32.8436 175.7721 81 R 4.3875 7.6835 117.5626 55.7208 31.1089 178.0761 82 S 4.9368 8.1305 114.6024 57.1778 65.0170 175.8934 83 K 4.1499 8.4899 120.6952 59.8974 31.7068 179.2318 84 N 4.5489 8.2079 111.8273 54.1303 36.7291 173.9876 85 E 4.3681 7.9508 115.6526 57.1207 32.3076 175.8437 86 D 4.7235 8.2723 126.3519 52.0527 41.3880 176.3994 87 E 4.1466 8.8159 128.5762 58.5535 29.6413 177.8074 88 S 4.4979 8.0241 111.1030 58.7906 63.8536 174.5956 89 S 4.2765 8.3057 117.1144 58.1257 62.7794 172.1019 90 P 4.5359 0.0000 0.0000 64.4356 33.0335 175.6894 91 I 4.2464 7.7074 121.0365 61.2421 36.9803 177.0044 92 I 3.9029 9.0129 129.9675 63.8395 37.7054 176.5341 93 N 4.9997 7.9426 118.6603 51.9320 42.8201 172.9105 94 N 5.2897 8.7964 122.5628 51.9912 41.1244 172.9131 95 K 4.7204 9.0262 127.7646 54.4530 35.7382 174.7624 96 V 4.9299 8.3048 123.5721 61.2311 33.9515 174.5528 97 I 4.6128 9.1083 128.9621 59.5246 40.2660 174.6863 98 T 4.7365 8.0081 115.0224 60.1152 71.4165 172.6899 99 Y 4.8147 8.3351 120.1158 56.5544 42.9523 173.5927 100 D 5.0546 8.7256 121.1263 53.2295 42.6510 176.5373 101 I 4.1019 8.5186 125.5310 59.9572 36.5923 176.1221 102 G 3.7800 8.7647 117.5486 48.1131 0.0000 171.7589 103 Y 4.8470 7.5586 118.2222 56.4483 41.7753 173.5883 104 S 4.4172 6.8764 117.6636 57.4769 65.6172 173.2654 105 Y 4.4589 8.0314 122.3451 56.3355 41.6199 173.6139 106 M 4.5207 7.5041 125.6935 54.5782 35.0919 175.2809 107 K 4.2258 8.6518 123.0395 56.8358 31.6758 176.2169 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 0 T 8.17 3.99 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 1.16 0.00 0.00 1 M 8.09 3.19 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 2 K 9.64 4.77 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.63 7.81 3 F 8.16 5.29 0.00 3.13 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 8.33 5.29 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 5 A 9.01 4.91 0.67 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 0.00 0.00 6 E 9.53 5.05 0.00 2.20 2.06 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 2.25 2.28 0.00 7 N 9.08 5.29 0.00 3.02 2.70 0.00 0.00 6.37 7.31 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 8 R 8.94 4.79 0.00 2.14 1.79 0.00 3.10 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 9 L 9.17 5.10 0.00 1.60 1.56 0.54 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.71 4.87 4.18 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 1.05 0.00 0.00 11 L 9.08 5.53 0.00 1.59 1.59 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.56 4.37 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 1.30 0.00 0.00 13 K 8.65 3.90 0.00 1.84 1.72 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.51 7.81 14 G 11.30 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 15 T 8.17 4.27 4.28 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 1.24 0.00 0.00 16 A 8.32 4.23 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 17 K 7.51 3.73 0.00 1.77 1.81 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 18 D 7.70 4.32 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 19 I 7.78 3.51 1.93 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 1.48 1.39 1.17 0.00 0.00 20 I 7.94 4.07 2.18 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.54 1.02 0.00 0.00 21 E 8.01 2.72 0.00 1.80 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.25 0.00 22 R 7.39 4.06 0.00 1.68 1.77 0.00 2.49 0.00 0.00 2.80 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 23 F 7.96 4.85 0.00 3.51 3.26 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 24 Y 7.91 4.30 0.00 3.05 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 25 T 7.26 4.10 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 1.25 0.00 0.00 *28 G 8.13 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 0.00 0.00 0.00 0.00 29 I 7.10 3.88 1.70 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.33 0.11 0.00 0.00 30 E 7.59 4.03 0.00 2.20 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 2.31 2.21 0.00 31 T 7.47 4.09 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 1.20 0.00 0.00 32 L 7.51 4.30 0.00 1.90 1.83 1.16 1.26 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 33 E 8.92 4.03 0.00 1.98 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 2.32 2.28 0.00 34 G 8.25 4.08 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 0.00 0.00 0.00 35 F 7.93 4.35 0.00 2.64 2.94 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 36 D 8.13 4.40 0.00 2.24 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 37 G 5.38 3.70 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 0.00 0.00 0.00 38 M 7.63 5.33 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 39 F 9.67 4.86 0.00 2.85 2.85 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 40 V 8.53 4.93 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 1.05 0.00 0.00 1.00 0.00 0.00 41 T 9.09 4.83 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 1.19 0.00 0.00 42 Q 8.36 5.05 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 43 T 8.52 4.21 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 1.26 0.00 0.00 44 L 8.62 4.37 0.00 1.71 1.58 0.92 1.01 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 45 E 8.62 3.92 0.00 2.10 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 2.23 2.31 0.00 46 Q 7.45 4.32 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 47 E 8.98 4.08 0.00 1.99 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 2.29 0.00 48 D 8.00 4.58 0.00 2.55 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 0.00 0.00 0.00 0.00 49 F 8.06 4.93 0.00 2.85 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 50 D 9.23 5.08 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 5.17 0.00 2.02 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 0.00 2.27 2.29 0.00 52 V 8.86 5.34 2.06 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 1.26 0.00 0.00 1.02 0.00 0.00 53 K 8.24 4.96 0.00 1.74 1.66 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.37 7.81 54 I 8.69 4.68 1.90 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 1.06 0.00 0.00 55 L 9.47 5.32 0.00 1.72 1.64 0.79 -0.02 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 56 T 8.93 4.96 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 V 8.65 4.71 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 0.95 0.00 0.00 0.91 0.00 0.00 58 W 9.60 5.39 0.00 3.59 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 59 K 9.53 4.53 0.00 1.70 1.93 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.62 7.81 60 S 7.94 4.67 0.00 3.94 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 61 K 8.28 2.00 0.00 1.32 1.59 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.10 7.81 62 Q 7.85 3.77 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 63 A 7.64 3.98 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 6.96 2.68 0.00 1.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.47 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 1.10 0.00 0.00 66 D 7.89 4.27 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.63 0.00 3.18 3.22 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 68 L 7.48 3.67 0.00 1.40 1.39 0.49 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.30 4.24 0.00 1.72 1.64 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.39 7.81 *80 V 7.57 3.92 2.20 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 1.07 0.00 0.00 1.14 0.00 0.00 81 R 7.68 4.39 0.00 1.87 1.69 0.00 3.30 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 1.52 1.21 0.00 82 S 8.13 4.94 0.00 3.90 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 83 K 8.49 4.15 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.48 7.81 84 N 8.21 4.55 0.00 2.82 2.94 0.00 0.00 5.79 7.66 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 85 E 7.95 4.37 0.00 2.15 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 2.23 2.21 0.00 86 D 8.27 4.72 0.00 2.74 2.56 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 87 E 8.82 4.15 0.00 1.95 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 2.41 0.00 88 S 8.02 4.50 0.00 4.05 3.97 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 89 S 8.31 4.28 0.00 3.83 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 90 P 0.00 4.54 0.00 2.18 2.12 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 91 I 7.71 4.25 1.93 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 1.33 1.22 0.99 0.00 0.00 92 I 9.01 3.90 1.99 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.86 0.00 0.00 93 N 7.94 5.00 0.00 2.73 2.54 0.00 0.00 6.55 6.71 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 94 N 8.80 5.29 0.00 2.75 2.70 0.00 0.00 6.81 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 9.03 4.72 0.00 1.84 1.61 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.34 7.81 96 V 8.30 4.93 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 1.12 0.00 0.00 1.03 0.00 0.00 97 I 9.11 4.61 1.76 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.28 0.00 0.00 98 T 8.01 4.74 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 1.25 0.00 0.00 99 Y 8.34 4.81 0.00 2.64 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 0.00 100 D 8.73 5.05 0.00 2.62 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 0.00 101 I 8.52 4.10 1.81 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 1.10 0.50 0.90 0.00 0.00 102 G 8.76 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 0.00 0.00 0.00 103 Y 7.56 4.85 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 6.88 4.42 0.00 3.82 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.46 0.00 2.78 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 0.00 106 M 7.50 4.52 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 107 K 8.65 4.23 0.00 1.82 1.88 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.28 7.81 * Residues marked with a * may have inaccurate shift predictions.