NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6925 8.3501 109.7360 45.3529 0.0000 173.2018 *2 A 4.1494 7.5340 122.4676 50.7887 19.6143 176.4578 3 P 4.2327 0.0000 0.0000 65.7077 31.3766 177.7780 4 D 4.5640 8.0030 114.7833 54.5511 39.6507 176.6554 5 Q 4.3270 8.0146 118.8760 56.7721 29.3997 175.0879 6 Q 4.5934 7.5665 113.9381 54.3410 31.8689 174.0580 7 V 4.3523 7.9678 117.0147 60.1456 34.3435 173.2941 8 P 4.5628 0.0000 0.0000 62.8952 32.3817 175.1510 9 A 4.8098 8.2127 123.4066 50.9317 21.9086 176.4069 10 T 4.1568 8.8146 117.8341 66.4216 69.1386 175.1974 11 A 4.6569 7.6335 120.1300 50.7816 22.7472 174.9444 12 L 4.8756 8.3618 119.8807 52.4355 44.5600 176.9503 13 G 3.6722 9.0686 112.4420 46.3543 0.0000 173.9797 14 K 4.1788 8.8932 123.9354 58.7642 32.4310 177.6111 15 S 4.6824 7.7589 114.2091 56.8084 64.1173 174.1734 16 S 4.7057 8.4401 121.4184 58.2907 64.2437 173.7900 17 R 4.6115 8.7773 120.6247 54.6194 33.0633 174.6449 18 I 4.8627 8.4095 124.9633 60.1362 39.2491 175.0253 19 S 4.4408 8.8715 119.8033 57.0440 67.2218 173.1306 20 L 3.4361 8.8651 115.6804 56.5331 38.4885 174.2557 21 D 4.4348 9.0635 109.4365 55.4750 39.7799 173.9756 22 G 3.9496 8.4772 103.7637 45.3644 0.0000 175.2046 23 R 3.9718 7.9553 119.2921 57.4904 30.7027 176.0741 24 R 5.1756 7.8863 118.4414 54.2122 33.7326 174.1990 25 S 5.2059 8.7516 119.7261 56.5853 66.2329 172.6307 26 E 5.1569 8.5488 119.1309 55.4067 33.2817 174.2061 27 R 4.7913 8.6745 122.0979 54.6421 33.7014 174.4863 28 S 4.8372 8.7390 122.2984 58.9538 64.1481 173.5591 29 V 4.9148 8.7139 115.6732 59.8825 36.1351 174.6843 30 I 4.7230 8.5274 123.2540 59.6387 39.8862 176.0465 31 L 4.7433 8.8720 127.3606 53.6165 42.9033 177.9562 32 A 3.9246 8.3537 122.6902 55.3381 18.2148 178.3671 33 D 4.5447 8.0587 112.7236 53.5916 39.7764 177.3412 34 G 3.9992 8.3779 109.5326 45.4489 0.0000 175.2414 35 S 4.3338 8.1277 116.1108 58.1137 64.7005 172.7003 *37 H 4.7994 8.4271 115.2678 56.3834 30.9379 172.8242 38 S 4.8163 8.9514 117.6024 57.4101 64.2523 173.5785 39 L 4.4541 8.9650 129.5312 54.6208 42.6537 175.3822 40 T 4.8972 8.6861 123.9315 61.3708 71.8591 173.1145 41 L 5.0203 8.7880 127.5378 53.1200 44.8857 174.5809 42 L 5.1158 8.8902 128.5733 53.4794 44.4534 175.5516 43 H 4.8476 9.2943 124.1547 54.7393 29.7037 173.5882 44 P 4.5083 0.0000 0.0000 62.7216 32.0145 177.0798 45 G 3.7621 7.1484 109.2233 45.1657 0.0000 170.6111 46 V 4.7450 6.9402 118.5167 61.1995 34.4499 175.2062 47 Y 4.7831 8.7345 124.2179 56.6206 42.1763 174.1537 48 T 4.9453 8.6290 120.3031 62.1910 70.2493 174.1076 49 L 4.8012 8.2128 126.1421 53.0583 45.3761 175.5852 50 S 4.9775 8.0951 114.5042 58.3008 65.5514 174.1255 51 S 4.7621 8.2812 113.5165 56.8081 65.4128 174.6445 52 E 4.3149 9.0549 123.4815 58.6273 29.6162 177.5720 53 V 4.6866 7.4529 110.1440 58.7826 35.4239 175.7533 54 A 4.3923 8.6895 124.9620 52.4939 19.1726 176.8325 55 E 4.9128 8.7094 119.5960 53.6375 34.2894 174.9876 56 T 4.5086 8.4487 119.9024 62.8200 70.3543 173.2990 57 I 4.7817 8.2144 127.1190 59.5848 40.0848 174.0787 58 R 4.9037 8.9683 129.4808 54.4102 32.9858 174.0939 59 V 4.0836 8.8537 128.4643 63.0345 32.0198 176.4774 60 L 4.3256 9.0388 128.3754 56.8826 42.8815 176.8887 61 S 4.4065 8.1121 110.3872 57.9395 65.4279 174.4155 62 G 4.3931 9.0342 109.1449 45.7121 0.0000 173.2275 *64 A 4.2489 8.2492 123.9805 51.9848 20.7212 175.1152 65 Y 4.9156 8.8460 117.7755 56.5869 39.9908 174.4670 66 Y 4.9630 9.2157 127.3120 56.9700 40.8011 173.7654 67 H 4.9473 8.7147 125.6131 53.9726 32.7794 172.5362 68 A 4.2568 7.9953 127.6953 51.0951 19.9594 176.0388 69 E 3.9794 8.9773 121.3519 57.8066 29.7578 177.7664 70 G 3.8774 8.8890 113.6760 45.4173 0.0000 173.2030 71 A 4.1861 7.5761 122.4345 52.1201 18.8078 177.9471 72 N 4.5613 8.5980 117.2367 54.7375 39.2025 174.1563 73 D 4.4073 7.5004 115.3314 53.9482 43.9101 173.7923 74 V 4.6721 8.2167 113.7701 59.8407 34.4561 175.4596 75 Q 4.7044 9.0973 122.6711 54.3741 31.7474 174.5228 76 E 4.4983 9.0490 125.7034 56.2899 30.7063 176.0931 77 L 4.8122 8.4767 123.0800 53.5431 43.9310 175.9241 78 H 4.8743 10.4497 121.5720 53.0998 32.3083 174.0393 79 A 4.1480 8.5269 121.9145 54.5647 18.2279 178.1083 80 G 4.0076 9.1110 112.2321 45.2367 0.0000 173.7475 81 D 4.5942 8.1397 119.9855 53.9851 41.5985 175.4881 82 S 5.8066 7.9673 116.0266 55.5610 66.5708 173.7497 *84 V 3.7666 8.0306 120.0035 62.9147 32.1915 174.4630 85 I 4.0804 8.5147 128.6405 59.1866 37.9960 173.7659 86 P 4.6734 0.0000 0.0000 62.2628 31.6220 176.5350 87 A 4.2926 8.5507 123.9157 52.4358 20.0543 176.9209 88 N 4.3115 9.3872 114.5169 53.9380 36.4291 174.6792 89 Q 4.7021 7.5245 111.3678 54.9989 31.9660 175.0748 90 S 4.7763 9.6732 120.1605 58.0414 62.5149 173.3271 91 Y 4.7374 8.5408 123.6408 55.7975 40.5062 174.7117 92 R 5.7189 8.6925 119.0026 53.7006 33.8469 174.9023 93 L 5.1863 8.5895 121.8616 53.1093 44.7486 174.8734 94 E 4.8098 9.3097 126.3012 54.8897 31.0516 175.2440 95 V 4.4374 8.9237 128.0962 61.6852 34.0666 174.6657 *97 E 4.3474 8.4429 122.6770 55.2398 30.7207 174.0453 98 P 4.3439 0.0000 0.0000 63.1109 32.6619 174.4931 99 L 5.0451 9.0685 126.8361 53.7373 44.0099 174.5321 100 D 5.4777 8.9988 127.2565 53.1105 42.8806 175.3045 101 Y 5.2700 8.6612 120.4613 55.8921 42.0904 173.5452 102 L 4.9931 8.9777 120.9269 53.6237 44.2215 175.8653 103 L 5.2678 8.7290 124.1260 53.6159 44.7070 175.0560 104 S 4.8358 9.4020 121.0117 57.6183 66.7218 174.6563 105 S 4.6018 8.9718 117.2810 59.0512 62.2411 170.4362 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 G 8.35 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 *2 A 7.53 4.15 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 3 P 0.00 4.23 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 4 D 8.00 4.56 0.00 2.76 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 5 Q 8.01 4.33 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 6 Q 7.57 4.59 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 7 V 7.97 4.35 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 0.83 0.00 0.00 0.91 0.00 0.00 8 P 0.00 4.56 0.00 2.10 1.94 0.00 3.60 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 2.10 2.09 0.00 9 A 8.21 4.81 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 10 T 8.81 4.16 4.39 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 1.21 0.00 0.00 11 A 7.63 4.66 1.20 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 0.00 0.00 12 L 8.36 4.88 0.00 1.48 1.55 0.91 0.89 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 13 G 9.07 3.67 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 0.00 14 K 8.89 4.18 0.00 1.75 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 15 S 7.76 4.68 0.00 3.83 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 16 S 8.44 4.71 0.00 3.74 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 17 R 8.78 4.61 0.00 1.69 1.77 0.00 3.10 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 18 I 8.41 4.86 1.85 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 1.38 0.52 0.88 0.00 0.00 19 S 8.87 4.44 0.00 3.81 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 20 L 8.87 3.44 0.00 1.82 1.83 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 D 9.06 4.43 0.00 2.79 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 22 G 8.48 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 23 R 7.96 3.97 0.00 2.01 2.01 0.00 3.45 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 24 R 7.89 5.18 0.00 1.66 1.60 0.00 3.02 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 25 S 8.75 5.21 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 26 E 8.55 5.16 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 27 R 8.67 4.79 0.00 1.83 1.71 0.00 3.07 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 28 S 8.74 4.84 0.00 3.81 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 29 V 8.71 4.91 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 0.66 0.00 0.00 0.97 0.00 0.00 30 I 8.53 4.72 1.88 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 1.23 0.74 0.97 0.00 0.00 31 L 8.87 4.74 0.00 1.77 1.59 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.35 3.92 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 33 D 8.06 4.54 0.00 2.80 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 34 G 8.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.33 0.00 4.01 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 *37 H 8.43 4.80 0.00 3.11 3.32 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.95 4.82 0.00 3.72 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 39 L 8.96 4.45 0.00 1.69 1.67 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.69 4.90 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 0.85 0.00 0.00 41 L 8.79 5.02 0.00 1.65 1.46 0.98 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.89 5.12 0.00 1.94 1.68 0.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.29 4.85 0.00 3.11 3.30 0.00 5.93 0.00 0.00 0.00 0.00 6.90 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 4.51 0.00 2.00 2.08 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 45 G 7.15 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 0.00 0.00 0.00 46 V 6.94 4.75 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.85 0.00 0.00 47 Y 8.73 4.78 0.00 2.93 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 48 T 8.63 4.95 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 1.20 0.00 0.00 49 L 8.21 4.80 0.00 0.27 1.11 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.10 4.98 0.00 3.94 3.81 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 51 S 8.28 4.76 0.00 4.00 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 52 E 9.05 4.31 0.00 2.02 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 2.33 2.35 0.00 53 V 7.45 4.69 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 0.68 0.00 0.00 0.95 0.00 0.00 54 A 8.69 4.39 1.22 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 0.00 0.00 55 E 8.71 4.91 0.00 1.94 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 2.24 2.32 0.00 56 T 8.45 4.51 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 57 I 8.21 4.78 1.76 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.63 0.70 0.00 0.00 58 R 8.97 4.90 0.00 1.88 1.75 0.00 3.13 0.00 0.00 3.07 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 59 V 8.85 4.08 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 1.06 0.00 0.00 0.85 0.00 0.00 60 L 9.04 4.33 0.00 1.65 1.70 0.91 0.77 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 61 S 8.11 4.41 0.00 3.87 3.81 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 62 G 9.03 4.39 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 0.00 *64 A 8.25 4.25 1.32 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 0.00 0.00 65 Y 8.85 4.92 0.00 2.88 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 66 Y 9.22 4.96 0.00 3.02 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 67 H 8.71 4.95 0.00 3.13 3.04 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.00 4.26 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 69 E 8.98 3.98 0.00 2.03 1.89 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 2.31 2.25 0.00 70 G 8.89 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 71 A 7.58 4.19 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 72 N 8.60 4.56 0.00 2.74 2.89 0.00 0.00 6.72 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 73 D 7.50 4.41 0.00 2.59 2.55 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 74 V 8.22 4.67 2.31 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 nan 0.00 0.00 1.04 0.00 0.00 75 Q 9.10 4.70 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 76 E 9.05 4.50 0.00 1.92 1.69 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 2.17 2.46 0.00 77 L 8.48 4.81 0.00 1.37 1.47 0.72 1.02 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 78 H 10.45 4.87 0.00 2.93 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.53 4.15 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 G 9.11 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 0.00 0.00 0.00 81 D 8.14 4.59 0.00 2.76 2.54 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 82 S 7.97 5.81 0.00 3.77 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 *84 V 8.03 3.77 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 0.76 0.00 0.00 0.89 0.00 0.00 85 I 8.51 4.08 1.65 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.67 0.32 0.00 0.00 86 P 0.00 4.67 0.00 1.96 2.00 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 87 A 8.55 4.29 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 88 N 9.39 4.31 0.00 2.90 2.98 0.00 0.00 6.73 7.24 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 89 Q 7.52 4.70 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 90 S 9.67 4.78 0.00 3.81 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 91 Y 8.54 4.74 0.00 2.77 3.10 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 92 R 8.69 5.72 0.00 1.77 1.86 0.00 3.12 0.00 0.00 3.26 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 93 L 8.59 5.19 0.00 1.78 1.70 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.31 4.81 0.00 2.09 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 2.41 2.29 0.00 95 V 8.92 4.44 2.33 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 1.12 0.00 0.00 1.13 0.00 0.00 *97 E 8.44 4.35 0.00 2.04 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 2.24 2.35 0.00 98 P 0.00 4.34 0.00 2.07 2.02 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 99 L 9.07 5.05 0.00 1.84 1.73 0.97 1.04 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 0.00 100 D 9.00 5.48 0.00 2.66 2.57 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 0.00 101 Y 8.66 5.27 0.00 3.03 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 0.00 102 L 8.98 4.99 0.00 1.62 1.61 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.73 5.27 0.00 2.03 1.58 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.40 4.84 0.00 3.66 3.73 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 0.00 105 S 8.97 4.60 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.