NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6871 8.3644 120.3212 52.4152 42.0495 175.5039 5 V 4.1229 7.7791 114.3555 62.4801 35.3604 176.3406 6 L 4.1515 9.0399 120.7934 57.6348 42.3558 178.8564 7 K 3.9737 7.9486 117.1520 59.6656 32.0189 179.1115 8 N 4.3992 8.1425 116.1084 56.3413 38.4749 177.4138 9 I 3.8072 7.7840 120.5232 64.2179 37.1457 178.2139 10 A 4.0228 8.6381 121.8761 55.5199 18.2204 179.3353 11 D 4.3500 8.5085 117.6547 57.9953 40.8938 179.3848 12 T 3.9480 8.0893 116.1616 66.3976 68.1921 176.8593 13 L 4.1240 7.9709 120.2320 58.0951 42.1994 179.0646 14 E 4.0157 8.6099 118.5973 59.1730 29.0864 179.2130 15 A 4.0438 8.0241 120.4134 55.0104 18.5447 179.1651 16 R 4.4400 7.5434 111.5580 56.4094 30.0310 177.8110 17 R 3.4817 7.4234 120.6706 59.1579 30.8410 177.3247 18 E 4.6235 7.9092 114.3278 55.4019 30.1106 174.5543 19 A 4.5708 7.4897 121.9684 50.6279 22.0951 176.7673 20 A 4.2245 8.2920 118.4639 51.4989 19.0984 177.3248 21 P 4.2415 0.0000 0.0000 65.4409 31.4879 177.5491 22 Q 4.3354 7.8511 114.2978 56.3525 29.5462 176.5199 23 S 4.2252 7.9041 113.2910 60.8956 62.6278 173.5773 24 S 4.6238 7.4974 111.3440 56.2705 65.6127 173.7115 25 Y 4.1408 8.7993 121.0198 60.9240 38.5936 177.5054 26 V 3.1711 7.9847 118.4553 65.8481 31.5174 177.6941 27 A 4.2101 7.9601 120.3428 55.0828 18.3478 179.5432 28 S 4.1793 7.8983 112.6133 61.4948 62.9588 176.6599 29 L 3.7534 7.6001 122.4453 57.6428 41.1454 179.2654 30 F 4.5141 7.4002 116.1174 61.3118 38.9669 177.1068 31 H 4.4522 8.2227 116.7526 59.1472 29.7393 177.2121 32 K 4.1254 7.9601 119.8788 58.9361 32.2180 175.7589 33 G 3.7377 8.1749 103.7253 43.6646 0.0000 174.1108 34 E 3.1677 8.8260 118.4249 59.2156 29.2598 178.2526 35 D 4.2725 8.0142 117.9067 57.5740 40.8707 178.6176 36 A 3.9546 7.9255 120.3926 55.2468 18.2641 179.6268 37 I 3.7198 7.2657 118.4548 64.3893 37.1616 178.5959 38 L 4.0085 8.0016 120.0676 57.3861 41.2786 179.5939 39 K 3.8780 8.2997 119.0212 59.4451 31.9823 179.1473 40 K 3.8547 7.5797 118.2616 59.3705 32.0958 178.8410 41 V 3.5707 7.8009 118.2641 66.0667 31.4923 177.8442 42 A 4.0012 8.1594 120.5227 54.9958 18.1626 179.0546 43 E 3.8536 8.4778 118.1184 59.7696 29.7855 179.0887 44 E 3.9782 8.4896 118.3382 59.1662 29.3171 179.3404 45 A 4.0197 8.1006 120.8997 55.0671 18.2293 179.5731 46 A 3.9568 7.8862 118.3543 55.2690 18.5417 179.2313 47 E 4.0297 8.2167 116.9989 59.5676 29.9351 178.8617 48 T 4.0627 7.8899 116.0949 66.3467 68.4271 176.6902 49 L 4.1856 7.4742 116.6883 55.5898 41.0967 178.6545 *51 A 4.2861 7.8819 124.0797 52.3781 20.6912 179.7579 52 S 4.0965 8.2212 110.3460 61.3422 62.6736 176.2923 53 K 3.9337 8.0806 120.1956 59.5931 31.9021 177.1487 54 D 4.5205 8.0823 114.9750 54.0929 40.9168 176.2193 55 K 3.8623 7.7858 117.1074 57.3618 30.7466 176.8438 56 D 4.6477 7.5166 120.1910 52.7728 37.8264 176.2809 57 K 3.8382 8.1266 123.2058 59.3389 32.3304 178.3689 58 L 4.0096 7.8182 118.7290 57.8846 41.6153 178.6767 59 H 4.2566 8.3309 118.1163 58.7476 29.7286 176.9358 60 L 3.8487 8.0386 122.4650 58.3400 41.9789 179.2399 61 V 3.5256 7.4357 117.9890 66.0282 31.4062 178.1977 62 R 3.8777 7.7362 117.9528 59.0707 29.8719 178.9899 63 E 3.8804 8.3118 118.6166 59.4459 29.4962 179.3007 64 V 3.6638 8.0971 118.4390 66.0184 31.2988 177.9865 65 A 3.6978 7.7653 120.3817 55.0771 18.2645 179.1590 66 D 4.3887 8.0842 116.6121 57.1222 41.1405 178.2675 67 L 4.0755 8.5385 121.4357 58.0696 42.0241 178.7693 68 W 4.3794 8.5048 117.8996 59.8541 29.1261 177.9062 69 F 4.4126 8.5809 119.6423 61.9854 39.1061 176.8206 70 H 4.1764 8.6025 115.4122 58.5990 28.2728 178.1125 71 T 4.1725 7.9485 115.6161 64.1930 67.9991 176.2200 *73 V 3.8277 7.7508 123.0992 62.8686 33.6512 177.2407 74 L 3.9192 8.1180 121.1600 58.2106 41.8683 178.6464 75 L 4.0612 8.1391 119.1398 58.5539 41.7421 179.8649 76 T 4.0566 8.0167 114.7689 66.8464 68.1854 175.9077 77 Y 4.0851 8.0978 120.7381 60.2075 38.7838 176.5555 78 H 4.8634 7.8599 115.0931 54.7801 29.2864 175.1590 79 G 3.8926 7.6349 107.2100 46.5309 0.0000 173.8318 80 L 4.9100 7.7463 120.9655 53.2561 44.7124 175.6083 81 R 4.5621 8.9715 112.9357 54.4735 32.3761 174.4556 82 P 4.0947 0.0000 0.0000 65.8770 31.1896 178.1719 83 E 3.9277 8.2770 115.5302 59.7950 29.3618 178.8538 84 D 4.5032 8.0779 117.9666 57.5008 41.1755 178.8507 85 V 3.7260 7.5517 118.0548 65.7742 31.5112 178.4265 86 V 3.8164 7.8066 114.5611 63.8867 30.5037 176.8875 *88 E 4.2122 8.1398 120.1004 55.7403 31.0846 177.8593 89 L 4.0349 8.0437 118.8948 57.9341 42.0179 178.8639 90 H 4.2649 8.4419 117.7306 59.1734 29.9365 176.2414 91 R 3.9323 8.0695 117.8823 59.2121 30.1286 176.8301 92 R 3.8445 7.3271 115.3787 57.9929 29.5860 176.6821 93 E 3.9619 6.4201 123.7592 58.5479 30.2891 177.6287 94 G 4.0489 8.8050 112.3283 45.6783 0.0000 172.4992 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.78 4.12 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 1.04 0.00 0.00 0.96 0.00 0.00 6 L 9.04 4.15 0.00 1.79 1.78 1.03 1.18 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 7 K 7.95 3.97 0.00 1.93 1.89 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.76 7.81 8 N 8.14 4.40 0.00 2.91 2.90 0.00 0.00 7.12 7.46 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 9 I 7.78 3.81 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 1.18 0.00 0.00 10 A 8.64 4.02 1.41 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 11 D 8.51 4.35 0.00 2.86 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 12 T 8.09 3.95 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 L 7.97 4.12 0.00 1.89 1.94 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.61 4.02 0.00 2.12 1.97 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 2.30 2.55 0.00 15 A 8.02 4.04 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 16 R 7.54 4.44 0.00 2.10 2.09 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 17 R 7.42 3.48 0.00 1.59 1.94 0.00 2.21 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 18 E 7.91 4.62 0.00 1.89 1.84 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 2.12 2.11 0.00 19 A 7.49 4.57 1.30 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 0.00 0.00 0.00 20 A 8.29 4.22 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 21 P 0.00 4.24 0.00 1.98 1.99 0.00 3.63 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 1.83 1.88 0.00 22 Q 7.85 4.34 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.90 4.23 0.00 3.82 4.15 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 0.00 0.00 0.00 24 S 7.50 4.62 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.80 4.14 0.00 3.10 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 26 V 7.98 3.17 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 0.86 0.00 0.00 1.20 0.00 0.00 27 A 7.96 4.21 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 28 S 7.90 4.18 0.00 4.12 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 0.00 29 L 7.60 3.75 0.00 1.35 1.27 0.55 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.40 4.51 0.00 3.27 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 31 H 8.22 4.45 0.00 3.22 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.96 4.13 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 G 8.17 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 3.17 0.00 1.83 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 2.26 2.26 0.00 35 D 8.01 4.27 0.00 2.68 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 36 A 7.93 3.95 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 37 I 7.27 3.72 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.78 0.00 0.00 38 L 8.00 4.01 0.00 1.77 1.69 0.90 1.23 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 39 K 8.30 3.88 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.60 7.81 40 K 7.58 3.85 0.00 2.00 1.75 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.07 1.20 7.81 41 V 7.80 3.57 2.22 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 0.98 0.00 0.00 1.02 0.00 0.00 42 A 8.16 4.00 1.41 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 43 E 8.48 3.85 0.00 2.13 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 2.31 2.36 0.00 44 E 8.49 3.98 0.00 2.06 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 2.58 2.73 0.00 45 A 8.10 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 3.96 1.37 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 0.00 0.00 47 E 8.22 4.03 0.00 2.11 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 2.36 2.38 0.00 48 T 7.89 4.06 4.48 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 1.23 0.00 0.00 49 L 7.47 4.19 0.00 1.88 1.68 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 7.88 4.29 1.39 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 52 S 8.22 4.10 0.00 3.93 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 53 K 8.08 3.93 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.52 0.00 2.72 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 55 K 7.79 3.86 0.00 1.89 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.52 4.65 0.00 2.68 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 57 K 8.13 3.84 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 58 L 7.82 4.01 0.00 1.72 1.70 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.33 4.26 0.00 3.39 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.04 3.85 0.00 1.78 1.81 0.90 0.70 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 61 V 7.44 3.53 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 0.86 0.00 0.00 0.93 0.00 0.00 62 R 7.74 3.88 0.00 1.93 1.92 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 63 E 8.31 3.88 0.00 1.99 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 2.20 2.23 0.00 64 V 8.10 3.66 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 0.66 0.00 0.00 0.89 0.00 0.00 65 A 7.77 3.70 1.30 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 0.00 0.00 0.00 66 D 8.08 4.39 0.00 3.03 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 67 L 8.54 4.08 0.00 1.94 2.06 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.50 4.38 0.00 3.41 3.38 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 69 F 8.58 4.41 0.00 3.09 3.34 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 70 H 8.60 4.18 0.00 3.38 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.95 4.17 4.58 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 1.14 0.00 0.00 *73 V 7.75 3.83 1.96 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 0.37 0.00 0.00 0.18 0.00 0.00 74 L 8.12 3.92 0.00 1.86 1.90 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.14 4.06 0.00 1.73 1.74 0.89 1.04 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 76 T 8.02 4.06 4.68 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 0.00 0.00 0.00 1.18 0.00 0.00 77 Y 8.10 4.09 0.00 3.30 3.21 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 78 H 7.86 4.86 0.00 3.38 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.63 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 80 L 7.75 4.91 0.00 1.71 1.76 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.97 4.56 0.00 1.95 1.97 0.00 3.02 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 82 P 0.00 4.09 0.00 2.20 2.14 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 83 E 8.28 3.93 0.00 1.91 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 2.33 2.50 0.00 84 D 8.08 4.50 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.73 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 0.93 0.00 0.00 0.86 0.00 0.00 86 V 7.81 3.82 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 1.01 0.00 0.00 0.95 0.00 0.00 *88 E 8.14 4.21 0.00 2.16 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 2.24 2.37 0.00 89 L 8.04 4.03 0.00 2.01 1.68 0.78 0.87 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 90 H 8.44 4.26 0.00 3.07 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.07 3.93 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 92 R 7.33 3.84 0.00 2.04 1.74 0.00 3.20 0.00 0.00 3.21 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 93 E 6.42 3.96 0.00 2.00 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 2.36 2.31 0.00 94 G 8.81 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.