#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig9 n GLY 2 N 0.00 5.19 7.00 3.03 0.00 -1.26 -4.74 105.19 114.40 3ig9 n GLY 2 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3ig9 n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ig9 n GLY 3 N 3.98 -0.08 3.27 -0.02 0.00 -1.26 -4.66 105.19 106.41 3ig9 n GLY 3 Ca 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 3ig9 n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ig9 s TYR 4 N 0.00 1.36 -0.23 1.61 1.51 0.15 -1.16 117.35 120.58 3ig9 s TYR 4 Ca 0.00 -0.74 -0.04 0.00 -1.01 0.00 0.00 57.07 55.28 3ig9 s TYR 4 Cb 0.00 -0.68 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 3ig9 s TYR 4 CO 0.00 0.12 -0.02 0.08 -1.11 0.00 0.00 175.55 174.63 3ig9 s VAL 5 N -3.27 3.51 -0.22 0.71 1.01 0.48 -0.78 120.40 121.84 3ig9 s VAL 5 Ca 0.18 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 3ig9 s VAL 5 Cb 0.02 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3ig9 s VAL 5 CO 0.02 0.37 0.38 0.20 0.00 0.00 0.00 175.10 176.06 3ig9 s ASN 6 N 1.49 6.37 -0.15 3.32 0.01 0.56 -1.01 114.94 125.54 3ig9 s ASN 6 Ca 0.05 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 3ig9 s ASN 6 Cb -0.15 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.30 3ig9 s ASN 6 CO -0.02 -0.09 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.67 3ig9 s ILE 7 N 1.47 2.41 -0.17 0.60 1.09 0.37 -1.11 121.20 125.86 3ig9 s ILE 7 Ca 0.17 -0.86 -0.02 0.00 -1.10 0.00 0.00 60.65 58.85 3ig9 s ILE 7 Cb -0.15 -2.00 -0.01 0.00 -1.06 0.00 0.00 42.46 39.24 3ig9 s ILE 7 CO 0.08 0.53 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.61 3ig9 s LYS 8 N 0.85 3.37 0.23 2.79 2.20 0.68 -1.39 119.74 128.47 3ig9 s LYS 8 Ca -0.05 -0.66 0.08 0.00 -0.36 0.00 0.00 55.97 54.98 3ig9 s LYS 8 Cb -0.15 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 3ig9 s LYS 8 CO -0.01 0.00 0.06 0.95 -0.36 0.00 0.00 175.35 175.99 3ig9 s THR 9 N 0.92 3.86 -0.07 3.43 -4.23 -0.26 0.06 115.64 119.34 3ig9 s THR 9 Ca -0.02 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 3ig9 s THR 9 Cb -0.15 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.64 3ig9 s THR 9 CO -0.00 -0.29 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.22 3ig9 s PHE 10 N -2.10 2.56 0.31 3.99 0.08 -0.90 -2.80 117.98 119.12 3ig9 s PHE 10 Ca 0.31 -0.65 -0.28 0.00 0.12 0.00 0.00 56.93 56.43 3ig9 s PHE 10 Cb -0.08 -1.66 -0.13 0.00 -0.57 0.00 0.00 43.02 40.58 3ig9 s PHE 10 CO 0.21 -0.17 1.19 2.41 -0.10 0.00 0.00 175.22 178.76 3ig9 n THR 11 N 3.00 1.91 -3.53 0.64 -1.04 -1.26 -4.40 114.28 109.59 3ig9 n THR 11 Ca -0.18 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.05 61.19 3ig9 n THR 11 Cb 0.52 -1.33 -0.06 0.00 -1.82 0.00 0.00 70.33 67.64 3ig9 n THR 11 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 3ig9 s HIS 12 N -0.99 -0.64 0.80 -1.42 -3.43 -0.72 -4.87 115.29 104.01 3ig9 s HIS 12 Ca 0.58 1.14 -0.13 0.00 -0.80 0.00 0.00 55.06 55.85 3ig9 s HIS 12 Cb -0.63 0.40 0.08 0.00 -1.43 0.00 0.00 32.58 31.00 3ig9 s HIS 12 CO 0.60 -0.57 1.20 -2.14 -2.00 0.00 0.00 174.74 171.84 3ig9 s PRO 13 N -1.06 1.71 -0.46 -0.38 0.02 -1.26 -1.08 135.00 132.49 3ig9 s PRO 13 Ca -0.09 1.75 0.06 0.00 0.02 0.00 0.00 61.00 62.74 3ig9 s PRO 13 Cb -0.00 -1.78 0.22 0.00 0.02 0.00 0.00 34.50 32.96 3ig9 s PRO 13 CO 0.09 -2.16 0.69 0.00 -0.33 0.00 0.00 177.00 175.28 3ig9 n ALA 14 N -3.23 0.07 0.00 -1.55 0.00 -0.80 -4.62 120.51 110.38 3ig9 n ALA 14 Ca 0.13 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.49 3ig9 n ALA 14 Cb 0.50 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3ig9 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ig9 n GLY 15 N 1.99 -1.43 3.72 0.00 0.00 -1.26 -4.17 105.19 104.03 3ig9 n GLY 15 Ca 0.17 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3ig9 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ig9 s GLU 16 N -2.85 4.17 0.00 1.61 2.12 -1.26 -1.80 118.70 120.69 3ig9 s GLU 16 Ca 0.00 2.48 0.00 0.00 0.36 0.00 0.00 54.97 57.81 3ig9 s GLU 16 Cb 0.00 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.28 3ig9 s GLU 16 CO 0.00 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 3ig9 n GLY 17 N 3.81 2.46 3.67 -1.50 0.00 -1.26 -4.99 105.19 107.37 3ig9 n GLY 17 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3ig9 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ig9 s LYS 18 N -0.01 2.04 0.04 1.61 1.02 -0.74 -0.82 119.74 122.88 3ig9 s LYS 18 Ca 0.00 -2.12 -0.28 0.00 0.02 0.00 0.00 55.97 53.59 3ig9 s LYS 18 Cb 0.00 -1.68 0.09 0.00 -0.52 0.00 0.00 37.83 35.72 3ig9 s LYS 18 CO 0.00 -0.12 0.99 -1.83 -0.92 0.00 0.00 175.35 173.46 3ig9 s GLU 19 N -3.78 0.87 -0.20 1.68 -1.05 -0.03 -1.90 118.70 114.29 3ig9 s GLU 19 Ca 0.31 -0.41 -0.02 0.00 -0.15 0.00 0.00 54.97 54.70 3ig9 s GLU 19 Cb 0.08 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 3ig9 s GLU 19 CO 0.16 -0.39 -0.12 0.08 0.95 0.00 0.00 175.26 175.94 3ig9 s VAL 20 N -3.05 2.75 0.21 1.83 1.01 -0.24 -0.26 120.40 122.65 3ig9 s VAL 20 Ca 0.09 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 3ig9 s VAL 20 Cb -0.01 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 3ig9 s VAL 20 CO -0.04 0.47 0.78 -0.54 0.00 0.00 0.00 175.10 175.77 3ig9 s LYS 21 N 1.39 4.45 0.50 2.72 1.02 -1.26 -1.76 119.74 126.79 3ig9 s LYS 21 Ca 0.05 1.07 -0.21 0.00 0.02 0.00 0.00 55.97 56.90 3ig9 s LYS 21 Cb -0.14 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.05 3ig9 s LYS 21 CO -0.08 0.47 1.16 0.20 -0.92 0.00 0.00 175.35 176.18 3ig9 s GLY 22 N -1.39 2.73 0.09 -3.33 0.00 -1.26 -4.68 107.32 99.47 3ig9 s GLY 22 Ca 0.40 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 46.02 3ig9 s GLY 22 CO 0.24 1.33 0.03 -3.16 0.00 0.00 0.00 173.10 171.53 3ig9 s MET 23 N -2.97 0.78 -0.11 2.90 0.23 -1.12 -4.83 119.30 114.19 3ig9 s MET 23 Ca 0.68 -1.32 0.01 0.00 -1.03 0.00 0.00 55.69 54.03 3ig9 s MET 23 Cb -0.27 0.23 0.02 0.00 -1.53 0.00 0.00 34.83 33.28 3ig9 s MET 23 CO 0.32 -0.19 -0.11 -1.21 -2.03 0.00 0.00 175.02 171.80 3ig9 s GLU 24 N -3.98 1.76 -0.03 3.16 2.02 -1.26 -1.11 118.70 119.26 3ig9 s GLU 24 Ca 0.15 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 3ig9 s GLU 24 Cb 0.08 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.65 3ig9 s GLU 24 CO -0.04 -0.17 0.13 0.54 0.02 0.00 0.00 175.26 175.73 3ig9 s VAL 25 N 1.35 0.03 -0.16 2.63 0.11 -0.49 -4.31 120.40 119.57 3ig9 s VAL 25 Ca -0.01 -0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 58.78 3ig9 s VAL 25 Cb -0.14 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3ig9 s VAL 25 CO -0.05 -0.12 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.13 3ig9 s SER 26 N -0.37 4.90 -0.10 3.54 0.01 0.17 -0.48 113.70 121.37 3ig9 s SER 26 Ca -0.04 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3ig9 s SER 26 Cb -0.03 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.42 3ig9 s SER 26 CO 0.00 0.18 -0.20 -0.69 0.41 0.00 0.00 173.24 172.95 3ig9 s VAL 27 N 0.32 1.78 0.14 3.43 1.01 -0.18 -0.88 120.40 126.01 3ig9 s VAL 27 Ca -0.03 -0.83 -0.34 0.00 0.00 0.00 0.00 61.98 60.78 3ig9 s VAL 27 Cb -0.14 -1.57 -0.16 0.00 0.00 0.00 0.00 36.38 34.51 3ig9 s VAL 27 CO 0.03 0.50 1.16 -2.65 0.00 0.00 0.00 175.10 174.13 3ig9 n PRO 28 N 3.85 0.98 -0.27 2.72 -0.02 -1.26 -0.39 135.00 140.61 3ig9 n PRO 28 Ca -0.20 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.70 3ig9 n PRO 28 Cb 0.52 -1.86 0.21 0.00 -0.02 0.00 0.00 33.50 32.35 3ig9 n PRO 28 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ig9 h PHE 29 N 3.47 0.62 -0.38 6.00 3.57 -1.41 -1.69 116.94 127.11 3ig9 h PHE 29 Ca -0.44 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 3ig9 h PHE 29 Cb 1.36 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3ig9 h PHE 29 CO 0.55 0.11 0.21 1.49 -2.23 0.00 0.00 178.31 178.43 3ig9 h GLU 30 N 0.51 0.54 -0.19 1.11 4.57 -1.85 0.11 114.58 119.37 3ig9 h GLU 30 Ca 0.44 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 3ig9 h GLU 30 Cb 0.65 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3ig9 h GLU 30 CO -0.39 0.44 0.11 0.82 -1.18 0.00 0.00 179.01 178.82 3ig9 h ILE 31 N 0.49 1.09 -0.29 2.32 2.04 -1.73 -2.37 117.51 119.06 3ig9 h ILE 31 Ca 0.13 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3ig9 h ILE 31 Cb 0.07 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ig9 h ILE 31 CO -0.02 0.08 0.08 0.22 0.00 0.00 0.00 178.15 178.52 3ig9 h TYR 32 N 0.22 0.48 -0.28 1.37 3.20 -1.01 -2.91 116.97 118.04 3ig9 h TYR 32 Ca 0.07 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3ig9 h TYR 32 Cb 0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3ig9 h TYR 32 CO -0.05 0.51 -0.20 0.66 -1.64 0.00 0.00 178.16 177.44 3ig9 h SER 33 N 0.31 0.51 1.56 -2.11 4.64 -0.76 -2.83 113.55 114.87 3ig9 h SER 33 Ca 0.09 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3ig9 h SER 33 Cb 0.26 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ig9 h SER 33 CO -0.00 0.72 -0.03 0.78 -0.87 0.00 0.00 176.83 177.43 3ig9 h ASN 34 N 0.46 0.00 -1.08 4.97 2.35 -1.40 -3.44 115.58 117.44 3ig9 h ASN 34 Ca 0.07 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.98 3ig9 h ASN 34 Cb 0.61 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.76 3ig9 h ASN 34 CO 0.04 0.03 0.10 -0.70 -1.65 0.00 0.00 177.43 175.25 3ig9 s GLU 35 N -3.39 0.36 -0.21 0.81 2.12 -1.07 -5.11 118.70 112.21 3ig9 s GLU 35 Ca 0.04 0.83 -0.24 0.00 0.36 0.00 0.00 54.97 55.96 3ig9 s GLU 35 Cb 0.07 0.49 0.06 0.00 0.26 0.00 0.00 34.13 35.02 3ig9 s GLU 35 CO 0.62 -0.19 0.66 -3.38 -0.54 0.00 0.00 175.26 172.44 3ig9 s HIS 36 N 2.64 -0.70 -0.24 5.30 -3.43 -1.24 -4.54 115.29 113.08 3ig9 s HIS 36 Ca -0.00 1.62 -0.07 0.00 -0.80 0.00 0.00 55.06 55.80 3ig9 s HIS 36 Cb -0.09 0.28 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 3ig9 s HIS 36 CO -0.17 -0.40 0.07 0.50 -2.00 0.00 0.00 174.74 172.73 3ig9 s ARG 37 N 0.01 3.69 -0.40 -0.38 3.52 -1.26 -5.05 118.95 119.07 3ig9 s ARG 37 Ca -0.02 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.04 3ig9 s ARG 37 Cb -0.04 -3.30 0.08 0.00 -1.56 0.00 0.00 34.95 30.13 3ig9 s ARG 37 CO 0.03 -0.13 0.22 0.42 -0.81 0.00 0.00 175.30 175.03 3ig9 s ILE 38 N 1.46 3.89 -0.48 4.11 1.01 -1.26 -4.95 121.20 124.99 3ig9 s ILE 38 Ca 0.06 -1.54 0.16 0.00 0.00 0.00 0.00 60.65 59.32 3ig9 s ILE 38 Cb -0.15 -3.43 -0.20 0.00 0.01 0.00 0.00 42.46 38.70 3ig9 s ILE 38 CO 0.04 -0.51 0.55 0.00 0.00 0.00 0.00 174.94 175.02 3ig9 n ALA 39 N 4.82 3.51 -3.82 9.38 0.00 -1.26 -5.03 120.51 128.11 3ig9 n ALA 39 Ca -0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 3ig9 n ALA 39 Cb 0.43 -0.56 0.02 0.00 0.00 0.00 0.00 19.45 19.33 3ig9 n ALA 39 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ig9 s ASP 40 N -2.97 -0.02 0.00 0.00 1.47 -1.26 -5.06 116.67 108.82 3ig9 s ASP 40 Ca 0.02 -1.00 0.18 0.00 1.18 0.00 0.00 52.55 52.93 3ig9 s ASP 40 Cb 0.11 0.77 0.51 0.00 -0.34 0.00 0.00 42.92 43.98 3ig9 s ASP 40 CO 0.65 -1.53 1.42 0.00 0.68 0.00 0.00 175.17 176.40 3ig9 n ALA 41 N -0.55 2.43 -0.84 2.11 0.00 -1.26 -4.57 120.51 117.83 3ig9 n ALA 41 Ca -0.07 -0.89 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 3ig9 n ALA 41 Cb 0.60 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 3ig9 n ALA 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ig9 n HIS 42 N 1.04 0.36 -3.98 0.00 8.25 -1.26 -4.82 115.22 114.81 3ig9 n HIS 42 Ca 0.18 -1.41 -0.08 0.00 -0.26 0.00 0.00 57.72 56.15 3ig9 n HIS 42 Cb 0.46 -1.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.42 3ig9 n HIS 42 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ig9 s TYR 43 N -0.02 0.38 0.01 4.41 1.13 -1.26 -2.12 117.35 119.88 3ig9 s TYR 43 Ca 0.36 -0.83 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 3ig9 s TYR 43 Cb 0.19 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 3ig9 s TYR 43 CO -0.02 -0.51 -0.02 -0.65 -2.51 0.00 0.00 175.55 171.84 3ig9 s GLN 44 N -3.91 0.16 -0.00 -3.49 -1.52 0.11 -4.99 119.66 106.02 3ig9 s GLN 44 Ca 0.09 -0.27 -0.01 0.00 -1.95 0.00 0.00 55.36 53.22 3ig9 s GLN 44 Cb 0.06 0.01 -0.00 0.00 -0.22 0.00 0.00 33.01 32.85 3ig9 s GLN 44 CO -0.08 -0.01 0.02 -0.08 -0.25 0.00 0.00 175.29 174.89 3ig9 s THR 45 N -0.61 0.04 -0.05 -0.19 -1.32 -1.26 -0.23 115.64 112.02 3ig9 s THR 45 Ca -0.06 -0.35 -0.02 0.00 -1.21 0.00 0.00 61.69 60.05 3ig9 s THR 45 Cb -0.04 -0.15 0.03 0.00 -1.51 0.00 0.00 72.50 70.83 3ig9 s THR 45 CO -0.00 -0.19 0.11 -0.36 -2.21 0.00 0.00 174.62 171.96 3ig9 s PHE 46 N -0.57 -0.10 0.30 9.09 0.08 -0.26 -4.97 117.98 121.54 3ig9 s PHE 46 Ca -0.06 0.36 -0.22 0.00 0.12 0.00 0.00 56.93 57.12 3ig9 s PHE 46 Cb -0.04 -0.12 -0.09 0.00 -0.57 0.00 0.00 43.02 42.20 3ig9 s PHE 46 CO -0.00 -0.13 0.85 -1.25 -0.10 0.00 0.00 175.22 174.59 3ig9 s PRO 47 N 1.04 4.39 0.18 0.24 0.04 -1.26 -0.32 135.00 139.31 3ig9 s PRO 47 Ca -0.08 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 3ig9 s PRO 47 Cb -0.11 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3ig9 s PRO 47 CO -0.05 0.28 0.51 -1.54 0.04 0.00 0.00 177.00 176.24 3ig9 s SER 48 N -1.74 -0.28 0.20 6.66 1.04 0.04 -4.94 113.70 114.68 3ig9 s SER 48 Ca 0.49 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 3ig9 s SER 48 Cb -0.16 0.57 0.12 0.00 0.10 0.00 0.00 66.02 66.65 3ig9 s SER 48 CO 0.21 -1.02 1.69 -0.33 0.98 0.00 0.00 173.24 174.77 3ig9 h GLU 49 N 2.21 1.08 -6.47 4.02 5.08 -1.91 0.43 114.58 119.02 3ig9 h GLU 49 Ca -0.30 -0.30 -0.64 0.00 -1.00 0.00 0.00 59.36 57.13 3ig9 h GLU 49 Cb 1.26 -0.12 -0.16 0.00 0.50 0.00 0.00 28.75 30.23 3ig9 h GLU 49 CO 0.39 1.01 -0.78 0.15 -1.00 0.00 0.00 179.01 178.77 3ig9 s LYS 50 N -5.15 1.68 0.06 2.33 1.02 -1.26 -4.32 119.74 114.10 3ig9 s LYS 50 Ca -0.12 -1.54 -0.31 0.00 0.02 0.00 0.00 55.97 54.03 3ig9 s LYS 50 Cb 0.14 -1.89 -0.08 0.00 -0.52 0.00 0.00 37.83 35.48 3ig9 s LYS 50 CO 0.85 0.39 1.71 0.00 -0.92 0.00 0.00 175.35 177.38 3ig9 s ALA 51 N -1.91 3.68 -0.16 5.17 0.00 -1.26 -4.72 121.76 122.56 3ig9 s ALA 51 Ca 0.24 1.23 0.16 0.00 0.00 0.00 0.00 51.96 53.60 3ig9 s ALA 51 Cb -0.07 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.34 3ig9 s ALA 51 CO 0.12 -1.20 1.27 0.00 0.00 0.00 0.00 175.76 175.95 3ig9 h ALA 52 N 8.70 0.67 -2.08 0.00 0.00 -1.96 -3.47 119.26 121.12 3ig9 h ALA 52 Ca -0.43 -0.52 -0.58 0.00 0.00 0.00 0.00 54.91 53.38 3ig9 h ALA 52 Cb 1.20 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 3ig9 h ALA 52 CO 0.94 0.65 -0.65 0.71 0.00 0.00 0.00 179.25 180.90 3ig9 s TYR 53 N -2.98 2.56 0.14 0.00 2.02 -1.26 -5.05 117.35 112.78 3ig9 s TYR 53 Ca 0.02 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3ig9 s TYR 53 Cb 0.08 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 3ig9 s TYR 53 CO 0.76 0.57 1.51 1.15 -1.57 0.00 0.00 175.55 177.98 3ig9 h THR 54 N 1.91 1.28 -3.53 -0.71 2.02 -1.91 -3.42 112.91 108.55 3ig9 h THR 54 Ca -0.43 -1.33 -0.57 0.00 0.77 0.00 0.00 66.41 64.85 3ig9 h THR 54 Cb 1.25 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 68.85 3ig9 h THR 54 CO 0.63 0.45 0.85 -0.89 0.37 0.00 0.00 175.52 176.92 3ig9 s THR 55 N -4.64 4.38 -0.13 3.16 2.01 -1.26 -5.01 115.64 114.15 3ig9 s THR 55 Ca -0.12 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.30 3ig9 s THR 55 Cb 0.11 -4.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.12 3ig9 s THR 55 CO 0.84 -0.74 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.16 3ig9 s VAL 56 N 4.00 2.54 0.06 3.82 1.01 -1.26 -0.66 120.40 129.92 3ig9 s VAL 56 Ca 0.45 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 3ig9 s VAL 56 Cb -0.10 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 3ig9 s VAL 56 CO 0.24 0.53 1.60 -0.69 0.00 0.00 0.00 175.10 176.78 3ig9 s VAL 57 N 0.53 3.13 0.05 2.92 1.01 -0.06 -4.92 120.40 123.06 3ig9 s VAL 57 Ca -0.11 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.54 3ig9 s VAL 57 Cb -0.16 -3.38 -0.22 0.00 0.00 0.00 0.00 36.38 32.61 3ig9 s VAL 57 CO 0.04 0.00 1.03 0.71 0.00 0.00 0.00 175.10 176.88 3ig9 h THR 58 N 4.78 1.36 -2.81 3.92 1.35 -1.93 -3.42 112.91 116.16 3ig9 h THR 58 Ca -0.42 -3.12 0.06 0.00 -0.55 0.00 0.00 66.41 62.38 3ig9 h THR 58 Cb 1.20 2.69 -0.01 0.00 -1.73 0.00 0.00 68.15 70.30 3ig9 h THR 58 CO 0.92 0.79 0.40 1.51 -0.25 0.00 0.00 175.52 178.89 3ig9 s ASP 59 N -6.52 0.00 0.30 5.36 1.47 -1.26 -5.04 116.67 110.98 3ig9 s ASP 59 Ca -0.02 -0.95 0.02 0.00 1.18 0.00 0.00 52.55 52.78 3ig9 s ASP 59 Cb 0.09 0.71 0.56 0.00 -0.34 0.00 0.00 42.92 43.94 3ig9 s ASP 59 CO 0.83 -1.41 1.87 0.00 0.68 0.00 0.00 175.17 177.14 3ig9 h ALA 60 N 2.00 1.54 -0.00 2.11 0.00 -1.97 -2.54 119.26 120.40 3ig9 h ALA 60 Ca -0.30 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 3ig9 h ALA 60 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ig9 h ALA 60 CO 0.39 0.25 -0.93 0.00 0.00 0.00 0.00 179.25 178.97 3ig9 h ALA 61 N 1.53 0.39 -0.47 0.00 0.00 -2.00 -2.69 119.26 116.01 3ig9 h ALA 61 Ca 0.45 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3ig9 h ALA 61 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ig9 h ALA 61 CO -0.21 0.83 0.20 0.22 0.00 0.00 0.00 179.25 180.29 3ig9 h ASP 62 N 0.22 0.61 -0.25 0.00 3.58 -1.87 -2.58 116.42 116.12 3ig9 h ASP 62 Ca -0.07 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 3ig9 h ASP 62 Cb 1.56 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.45 3ig9 h ASP 62 CO 0.16 0.54 -0.25 -0.25 -2.88 0.00 0.00 179.24 176.56 3ig9 h TRP 63 N 0.67 0.74 -0.84 0.28 -0.00 -1.34 -2.20 115.95 113.25 3ig9 h TRP 63 Ca 0.17 -0.22 0.12 0.00 -0.00 0.00 0.00 58.89 58.95 3ig9 h TRP 63 Cb 0.11 -0.15 -0.08 0.00 -0.00 0.00 0.00 29.16 29.04 3ig9 h TRP 63 CO 0.01 0.93 0.47 0.00 -0.00 0.00 0.00 178.44 179.85 3ig9 h ARG 64 N 0.33 0.72 0.10 2.65 3.08 -1.23 0.25 114.38 120.26 3ig9 h ARG 64 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ig9 h ARG 64 Cb 0.81 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ig9 h ARG 64 CO 0.06 0.47 -0.05 1.15 -1.07 0.00 0.00 179.97 180.54 3ig9 h THR 65 N 0.74 1.09 -0.62 2.04 2.02 -1.37 -1.66 112.91 115.15 3ig9 h THR 65 Ca 0.43 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3ig9 h THR 65 Cb 0.48 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3ig9 h THR 65 CO -0.29 0.18 0.18 0.11 0.37 0.00 0.00 175.52 176.06 3ig9 h LYS 66 N -0.47 0.97 -0.36 6.66 1.57 -1.10 -1.01 116.57 122.84 3ig9 h LYS 66 Ca -0.01 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3ig9 h LYS 66 Cb 0.39 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3ig9 h LYS 66 CO 0.02 0.87 0.20 -0.97 -0.57 0.00 0.00 179.45 179.00 3ig9 h ASN 67 N 0.89 0.32 -0.19 0.86 -0.00 -0.53 -1.82 115.58 115.11 3ig9 h ASN 67 Ca 0.20 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.49 3ig9 h ASN 67 Cb 0.31 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.56 3ig9 h ASN 67 CO -0.00 0.23 0.07 0.00 -0.00 0.00 0.00 177.43 177.73 3ig9 h ALA 68 N 1.16 1.66 0.00 1.57 0.00 -1.06 -2.20 119.26 120.39 3ig9 h ALA 68 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ig9 h ALA 68 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ig9 h ALA 68 CO -0.07 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3ig9 h ALA 69 N 1.73 1.00 0.00 0.00 0.00 -0.30 -2.11 119.26 119.58 3ig9 h ALA 69 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ig9 h ALA 69 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ig9 h ALA 69 CO -0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 3ig9 n MET 70 N -2.95 0.15 0.00 0.00 2.00 -0.83 -3.62 117.12 111.88 3ig9 n MET 70 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 57.70 58.02 3ig9 n MET 70 Cb 0.19 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.65 3ig9 n MET 70 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ig9 n PHE 71 N -2.05 0.00 -3.06 2.03 3.72 -0.80 -4.95 117.46 112.36 3ig9 n PHE 71 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 3ig9 n PHE 71 Cb 0.26 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.74 3ig9 n PHE 71 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ig9 s THR 72 N -0.47 4.91 0.35 4.37 2.01 -1.16 -5.04 115.64 120.60 3ig9 s THR 72 Ca 0.00 1.04 -0.27 0.00 0.31 0.00 0.00 61.69 62.77 3ig9 s THR 72 Cb 0.00 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 3ig9 s THR 72 CO 0.00 -0.12 1.19 -2.84 -0.69 0.00 0.00 174.62 172.16 3ig9 s PRO 73 N 2.68 4.30 0.05 4.92 0.02 -1.26 -4.71 135.00 141.01 3ig9 s PRO 73 Ca 0.28 1.94 0.03 0.00 0.02 0.00 0.00 61.00 63.28 3ig9 s PRO 73 Cb -0.15 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 3ig9 s PRO 73 CO 0.11 -0.14 -0.11 0.95 -0.33 0.00 0.00 177.00 177.49 3ig9 s THR 74 N -1.26 0.78 0.11 0.99 -4.23 0.65 -4.89 115.64 107.79 3ig9 s THR 74 Ca 0.51 -1.17 -0.35 0.00 -1.18 0.00 0.00 61.69 59.49 3ig9 s THR 74 Cb -0.34 -0.80 -0.15 0.00 1.34 0.00 0.00 72.50 72.55 3ig9 s THR 74 CO 0.44 -0.31 1.49 -2.65 -0.54 0.00 0.00 174.62 173.04 3ig9 n PRO 75 N 1.39 1.69 -1.62 3.99 -0.02 -1.26 -0.85 135.00 138.31 3ig9 n PRO 75 Ca -0.22 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3ig9 n PRO 75 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3ig9 n PRO 75 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ig9 n VAL 76 N 3.11 2.26 -0.36 -1.45 0.24 -0.00 -4.81 118.33 117.32 3ig9 n VAL 76 Ca 0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3ig9 n VAL 76 Cb 0.24 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 3ig9 n VAL 76 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49