#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9r n LYS 20 N 0.00 0.04 0.00 1.96 5.02 -1.26 -1.15 118.16 122.77 1n9r n LYS 20 Ca 0.00 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.78 1n9r n LYS 20 Cb 0.00 -1.88 0.33 0.00 -0.02 0.00 0.00 35.03 33.46 1n9r n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n9r n GLY 21 N -1.29 -0.82 0.41 0.72 0.00 -1.26 -2.60 105.19 100.35 1n9r n GLY 21 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1n9r n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n9r n LEU 22 N -1.36 1.77 -4.59 0.99 4.77 -0.30 -4.93 117.00 113.34 1n9r n LEU 22 Ca 0.06 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.68 1n9r n LEU 22 Cb 0.13 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1n9r n LEU 22 CO 0.11 0.34 0.55 0.52 -1.33 0.00 0.00 177.39 177.58 1n9r n VAL 23 N 0.38 2.18 -1.14 4.08 0.31 -1.07 -0.65 118.33 122.43 1n9r n VAL 23 Ca 0.06 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.85 1n9r n VAL 23 Cb 0.28 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.12 1n9r n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n9r n ASN 24 N 0.87 -5.52 -4.90 4.52 3.02 0.39 -4.96 115.26 108.68 1n9r n ASN 24 Ca 0.09 0.12 -0.20 0.00 -0.03 0.00 0.00 54.58 54.56 1n9r n ASN 24 Cb 0.36 -3.43 -0.02 0.00 -0.61 0.00 0.00 39.78 36.08 1n9r n ASN 24 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1n9r s HIS 25 N -1.52 2.85 -0.24 3.10 3.76 0.17 -4.84 115.29 118.57 1n9r s HIS 25 Ca 0.00 -0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 54.34 1n9r s HIS 25 Cb 0.00 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1n9r s HIS 25 CO 0.00 -0.04 0.60 0.50 -0.85 0.00 0.00 174.74 174.94 1n9r s ARG 26 N -4.12 4.12 0.31 1.40 3.52 -1.26 -1.18 118.95 121.73 1n9r s ARG 26 Ca 0.46 0.50 0.03 0.00 -0.13 0.00 0.00 55.73 56.60 1n9r s ARG 26 Cb -0.06 -3.63 -0.06 0.00 -1.56 0.00 0.00 34.95 29.63 1n9r s ARG 26 CO 0.29 -0.36 0.06 0.14 -0.81 0.00 0.00 175.30 174.62 1n9r s VAL 27 N 2.32 1.11 -0.08 7.11 -7.23 0.14 0.31 120.40 124.09 1n9r s VAL 27 Ca 0.25 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1n9r s VAL 27 Cb -0.16 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.03 1n9r s VAL 27 CO 0.09 -0.01 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.86 1n9r s GLY 28 N -3.46 1.03 -0.34 2.32 0.00 0.80 -1.78 107.32 105.90 1n9r s GLY 28 Ca 0.36 -0.68 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 1n9r s GLY 28 CO 0.15 -0.12 0.13 0.14 0.00 0.00 0.00 173.10 173.39 1n9r s VAL 29 N 0.45 4.03 -0.12 1.40 1.01 0.21 -1.69 120.40 125.70 1n9r s VAL 29 Ca -0.15 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 1n9r s VAL 29 Cb -0.16 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1n9r s VAL 29 CO 0.06 -0.15 0.22 -0.75 0.00 0.00 0.00 175.10 174.48 1n9r s LYS 30 N 1.46 3.87 0.47 2.72 2.47 -0.80 -0.55 119.74 129.37 1n9r s LYS 30 Ca 0.00 0.01 -0.03 0.00 -1.56 0.00 0.00 55.97 54.39 1n9r s LYS 30 Cb -0.19 -3.30 -0.02 0.00 -1.46 0.00 0.00 37.83 32.86 1n9r s LYS 30 CO 0.04 0.54 0.74 -0.51 0.16 0.00 0.00 175.35 176.31 1n9r s LEU 31 N -0.40 3.65 -0.02 5.43 1.43 -1.07 -1.31 118.68 126.39 1n9r s LEU 31 Ca 0.16 0.68 -0.25 0.00 -1.03 0.00 0.00 54.13 53.69 1n9r s LEU 31 Cb -0.13 -3.59 -0.19 0.00 0.03 0.00 0.00 46.19 42.32 1n9r s LEU 31 CO 0.04 -0.62 1.20 0.11 0.23 0.00 0.00 176.35 177.31 1n9r h LYS 32 N 0.30 -0.12 -6.92 1.70 1.57 -1.68 -3.42 116.57 107.99 1n9r h LYS 32 Ca -0.47 0.01 -0.49 0.00 -1.87 0.00 0.00 60.65 57.83 1n9r h LYS 32 Cb 1.22 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1n9r h LYS 32 CO 0.61 0.31 0.17 -0.59 -0.57 0.00 0.00 179.45 179.37 1n9r s PHE 33 N -4.22 3.48 0.00 -1.35 -0.12 -1.26 -4.86 117.98 109.65 1n9r s PHE 33 Ca -0.15 1.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.83 1n9r s PHE 33 Cb 0.02 -2.49 0.00 0.00 -0.63 0.00 0.00 43.02 39.91 1n9r s PHE 33 CO 0.61 -0.18 0.00 0.09 -0.05 0.00 0.00 175.22 175.69 1n9r n ASN 34 N -1.47 0.00 -2.70 1.98 3.02 -1.26 -4.19 115.26 110.64 1n9r n ASN 34 Ca 0.03 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.52 1n9r n ASN 34 Cb 0.54 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.80 1n9r n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n9r n SER 35 N 1.08 -0.55 -4.86 6.41 3.41 -1.26 -5.04 113.62 112.81 1n9r n SER 35 Ca 0.00 -2.46 -0.36 0.00 -0.26 0.00 0.00 58.87 55.79 1n9r n SER 35 Cb 0.00 0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 1n9r n SER 35 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n9r s THR 36 N -1.15 5.20 -0.03 6.66 2.01 -1.26 -1.79 115.64 125.29 1n9r s THR 36 Ca 0.22 0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.71 1n9r s THR 36 Cb 0.42 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 69.34 1n9r s THR 36 CO -0.05 0.48 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.59 1n9r s GLU 37 N -1.40 0.78 -0.18 4.92 2.12 -0.65 -2.58 118.70 121.70 1n9r s GLU 37 Ca 0.25 -0.18 -0.15 0.00 0.36 0.00 0.00 54.97 55.25 1n9r s GLU 37 Cb -0.14 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.44 1n9r s GLU 37 CO 0.13 0.02 0.33 0.71 -0.54 0.00 0.00 175.26 175.91 1n9r s TYR 38 N 0.48 3.41 -0.00 5.30 1.51 0.28 -0.56 117.35 127.77 1n9r s TYR 38 Ca -0.06 0.58 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1n9r s TYR 38 Cb -0.10 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1n9r s TYR 38 CO 0.00 0.11 -0.19 1.03 -1.11 0.00 0.00 175.55 175.39 1n9r s ARG 39 N 0.91 2.21 0.00 -0.62 0.52 0.47 -0.62 118.95 121.83 1n9r s ARG 39 Ca 0.17 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1n9r s ARG 39 Cb -0.14 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1n9r s ARG 39 CO 0.06 0.57 0.00 0.41 0.02 0.00 0.00 175.30 176.36 1n9r n GLY 40 N 2.01 -1.20 3.62 -3.53 0.00 -0.74 0.04 105.19 105.39 1n9r n GLY 40 Ca -0.16 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1n9r n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9r s THR 41 N -3.00 4.55 -0.50 2.61 2.01 -0.52 0.26 115.64 121.06 1n9r s THR 41 Ca 0.00 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 1n9r s THR 41 Cb 0.00 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.52 1n9r s THR 41 CO 0.00 0.49 1.19 -0.22 -0.69 0.00 0.00 174.62 175.39 1n9r s LEU 42 N 0.16 3.58 -0.12 4.42 2.96 -0.33 -0.60 118.68 128.75 1n9r s LEU 42 Ca 0.03 0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.27 1n9r s LEU 42 Cb -0.13 -3.45 -0.07 0.00 0.50 0.00 0.00 46.19 43.04 1n9r s LEU 42 CO 0.01 -1.34 0.17 0.58 -1.32 0.00 0.00 176.35 174.46 1n9r h VAL 43 N 6.25 0.44 -4.03 1.68 2.07 -1.62 1.13 116.25 122.18 1n9r h VAL 43 Ca -0.24 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 65.80 1n9r h VAL 43 Cb 1.06 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 1n9r h VAL 43 CO 1.14 0.15 -0.32 -0.94 0.02 0.00 0.00 177.57 177.62 1n9r s SER 44 N -5.75 0.03 0.00 0.57 1.04 -1.25 -4.50 113.70 103.83 1n9r s SER 44 Ca -0.06 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1n9r s SER 44 Cb -0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1n9r s SER 44 CO 0.19 -1.03 0.00 0.41 0.98 0.00 0.00 173.24 173.79 1n9r n THR 45 N -0.34 0.00 -3.63 2.02 -1.04 -1.26 -1.42 114.28 108.60 1n9r n THR 45 Ca -0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1n9r n THR 45 Cb 0.63 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.09 1n9r n THR 45 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1n9r s ASP 46 N 0.85 -0.15 0.01 8.00 -4.77 -1.22 -4.99 116.67 114.41 1n9r s ASP 46 Ca 0.00 0.22 -0.00 0.00 -3.30 0.00 0.00 52.55 49.47 1n9r s ASP 46 Cb 0.00 0.20 0.03 0.00 -1.09 0.00 0.00 42.92 42.06 1n9r s ASP 46 CO 0.00 -0.10 0.07 0.59 0.70 0.00 0.00 175.17 176.44 1n9r n ASN 47 N 1.11 -0.01 0.00 2.11 3.02 -1.26 0.12 115.26 120.35 1n9r n ASN 47 Ca -0.07 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1n9r n ASN 47 Cb 0.58 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1n9r n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9r n TYR 48 N -3.86 0.00 -2.08 3.10 4.02 -1.26 -4.77 117.16 112.31 1n9r n TYR 48 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 1n9r n TYR 48 Cb 0.03 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.16 1n9r n TYR 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1n9r n PHE 49 N -1.14 -0.59 -3.31 -0.72 3.01 0.33 -4.36 117.46 110.68 1n9r n PHE 49 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1n9r n PHE 49 Cb 0.01 -3.50 -0.08 0.00 -0.01 0.00 0.00 39.48 35.91 1n9r n PHE 49 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1n9r s ASN 50 N -2.37 6.43 0.09 4.37 0.01 -1.24 -2.57 114.94 119.66 1n9r s ASN 50 Ca 0.00 0.51 0.03 0.00 -0.71 0.00 0.00 52.86 52.69 1n9r s ASN 50 Cb 0.00 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1n9r s ASN 50 CO 0.00 -0.18 -0.09 -1.48 -1.51 0.00 0.00 177.10 173.84 1n9r s LEU 51 N 1.83 2.41 -0.20 0.60 0.05 -0.88 -3.39 118.68 119.10 1n9r s LEU 51 Ca 0.20 -0.82 -0.07 0.00 0.05 0.00 0.00 54.13 53.49 1n9r s LEU 51 Cb -0.15 -0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 43.74 1n9r s LEU 51 CO 0.09 -0.31 0.04 -1.58 -0.55 0.00 0.00 176.35 174.04 1n9r s GLN 52 N -2.89 3.80 -0.11 1.48 0.74 -0.51 -1.85 119.66 120.32 1n9r s GLN 52 Ca 0.05 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.05 1n9r s GLN 52 Cb -0.02 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1n9r s GLN 52 CO -0.01 0.12 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.50 1n9r s LEU 53 N 0.77 2.50 -0.07 3.68 2.96 0.06 -1.55 118.68 127.03 1n9r s LEU 53 Ca 0.02 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1n9r s LEU 53 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1n9r s LEU 53 CO 0.02 0.18 -0.05 0.21 -1.32 0.00 0.00 176.35 175.40 1n9r s ASN 54 N 0.23 4.82 -1.24 3.68 3.84 0.23 -1.42 114.94 125.09 1n9r s ASN 54 Ca -0.11 0.03 -0.02 0.00 0.21 0.00 0.00 52.86 52.97 1n9r s ASN 54 Cb -0.16 -1.26 -0.01 0.00 -0.55 0.00 0.00 41.25 39.27 1n9r s ASN 54 CO 0.06 0.37 0.81 -0.62 -2.79 0.00 0.00 177.10 174.93 1n9r n GLU 55 N 2.21 -4.95 -2.86 0.43 1.02 -1.02 -1.43 120.64 114.04 1n9r n GLU 55 Ca -0.18 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.27 1n9r n GLU 55 Cb 0.53 -5.38 -0.06 0.00 -0.02 0.00 0.00 31.44 26.51 1n9r n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9r s ALA 56 N -3.54 3.36 -0.05 0.62 0.00 0.13 -4.52 121.76 117.75 1n9r s ALA 56 Ca 0.07 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1n9r s ALA 56 Cb -0.02 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1n9r s ALA 56 CO 0.78 0.24 -0.15 -2.00 0.00 0.00 0.00 175.76 174.64 1n9r s GLU 57 N -1.42 1.65 -0.08 0.00 2.12 0.11 0.12 118.70 121.20 1n9r s GLU 57 Ca 0.41 -0.51 -0.17 0.00 0.36 0.00 0.00 54.97 55.06 1n9r s GLU 57 Cb -0.23 -1.42 -0.05 0.00 0.26 0.00 0.00 34.13 32.70 1n9r s GLU 57 CO 0.28 0.16 0.45 -2.00 -0.54 0.00 0.00 175.26 173.61 1n9r s GLU 58 N 0.24 4.22 -0.07 4.30 2.12 -0.64 -0.39 118.70 128.48 1n9r s GLU 58 Ca -0.07 0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.75 1n9r s GLU 58 Cb -0.12 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 1n9r s GLU 58 CO 0.02 0.33 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.79 1n9r s PHE 59 N 0.06 2.33 -0.13 5.30 0.40 0.28 -0.78 117.98 125.44 1n9r s PHE 59 Ca 0.25 -0.81 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1n9r s PHE 59 Cb -0.16 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.83 1n9r s PHE 59 CO 0.11 -0.29 -0.21 0.08 0.70 0.00 0.00 175.22 175.61 1n9r s VAL 60 N 0.11 1.98 -0.71 -0.44 1.01 -0.17 -1.63 120.40 120.54 1n9r s VAL 60 Ca -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1n9r s VAL 60 Cb -0.15 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1n9r s VAL 60 CO 0.06 0.53 0.09 0.00 0.00 0.00 0.00 175.10 175.78 1n9r n ALA 61 N 4.02 -0.91 -0.60 5.51 0.00 -0.74 -0.31 120.51 127.48 1n9r n ALA 61 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1n9r n ALA 61 Cb 0.52 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1n9r n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9r n GLY 62 N -0.75 0.73 3.50 0.00 0.00 -1.26 -5.04 105.19 102.37 1n9r n GLY 62 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1n9r n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n9r s VAL 63 N -2.32 3.54 0.21 1.61 1.01 0.57 -5.06 120.40 119.96 1n9r s VAL 63 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1n9r s VAL 63 Cb 0.00 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 1n9r s VAL 63 CO 0.00 0.56 1.46 -0.55 0.00 0.00 0.00 175.10 176.56 1n9r s SER 64 N -0.26 6.67 -0.23 3.32 0.15 -1.26 -1.00 113.70 121.10 1n9r s SER 64 Ca 0.03 2.59 0.13 0.00 0.70 0.00 0.00 55.95 59.40 1n9r s SER 64 Cb -0.13 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.04 1n9r s SER 64 CO 0.03 -0.71 1.37 1.41 1.20 0.00 0.00 173.24 176.54 1n9r n HIS 65 N 2.95 0.74 0.00 3.44 8.25 0.04 -4.90 115.22 125.73 1n9r n HIS 65 Ca 0.09 -1.31 0.00 0.00 -0.26 0.00 0.00 57.72 56.24 1n9r n HIS 65 Cb 0.40 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1n9r n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9r n GLY 66 N -1.01 2.18 3.75 -1.41 0.00 -1.26 -4.84 105.19 102.60 1n9r n GLY 66 Ca 0.26 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1n9r n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9r s THR 67 N -1.91 4.95 0.37 2.61 2.01 -1.26 -1.61 115.64 120.80 1n9r s THR 67 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1n9r s THR 67 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1n9r s THR 67 CO 0.00 0.57 0.33 -0.76 -0.69 0.00 0.00 174.62 174.07 1n9r s LEU 68 N -0.56 3.50 0.00 4.42 1.43 0.32 -4.96 118.68 122.84 1n9r s LEU 68 Ca 0.11 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1n9r s LEU 68 Cb -0.12 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1n9r s LEU 68 CO 0.02 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1n9r n GLY 69 N -1.45 1.71 3.80 -3.19 0.00 -1.26 -3.21 105.19 101.59 1n9r n GLY 69 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1n9r n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9r s GLU 70 N 0.21 3.87 0.12 1.61 0.41 -1.26 -0.69 118.70 122.97 1n9r s GLU 70 Ca 0.00 -0.02 0.06 0.00 -0.41 0.00 0.00 54.97 54.60 1n9r s GLU 70 Cb 0.00 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.01 1n9r s GLU 70 CO 0.00 0.53 -0.15 0.96 -0.49 0.00 0.00 175.26 176.11 1n9r s ILE 71 N -0.37 1.37 -0.16 -1.63 -4.36 -0.50 -4.98 121.20 110.56 1n9r s ILE 71 Ca 0.15 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1n9r s ILE 71 Cb -0.13 -1.51 0.01 0.00 1.25 0.00 0.00 42.46 42.08 1n9r s ILE 71 CO 0.04 -0.37 -0.18 -0.36 0.24 0.00 0.00 174.94 174.31 1n9r s PHE 72 N -1.99 2.75 -0.01 1.37 0.40 -1.26 -0.76 117.98 118.48 1n9r s PHE 72 Ca 0.08 -1.28 0.04 0.00 -0.60 0.00 0.00 56.93 55.17 1n9r s PHE 72 Cb -0.06 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1n9r s PHE 72 CO 0.03 -0.61 -0.12 0.42 0.70 0.00 0.00 175.22 175.65 1n9r s ILE 73 N 0.97 3.26 -0.23 0.64 1.01 -0.77 -5.01 121.20 121.07 1n9r s ILE 73 Ca -0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 1n9r s ILE 73 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1n9r s ILE 73 CO -0.04 0.47 0.28 -0.13 0.00 0.00 0.00 174.94 175.52 1n9r s ARG 74 N -1.14 4.11 0.04 2.79 1.81 -1.26 -2.07 118.95 123.23 1n9r s ARG 74 Ca 0.14 -0.04 -0.07 0.00 -1.72 0.00 0.00 55.73 54.05 1n9r s ARG 74 Cb -0.11 -3.55 -0.02 0.00 -0.45 0.00 0.00 34.95 30.83 1n9r s ARG 74 CO 0.04 -0.01 0.48 0.00 -0.68 0.00 0.00 175.30 175.13 1n9r n ASN 76 N -3.66 -0.31 0.00 0.00 5.03 -1.26 0.20 115.26 115.27 1n9r n ASN 76 Ca 0.00 1.58 0.09 0.00 0.87 0.00 0.00 54.58 57.13 1n9r n ASN 76 Cb 0.06 -0.49 0.56 0.00 -1.02 0.00 0.00 39.78 38.89 1n9r n ASN 76 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1n9r n ASN 77 N -5.48 0.00 -4.67 6.41 3.02 -0.19 -4.66 115.26 109.69 1n9r n ASN 77 Ca 0.15 -0.62 -0.38 0.00 -0.03 0.00 0.00 54.58 53.71 1n9r n ASN 77 Cb 0.48 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.58 1n9r n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n9r s VAL 78 N -2.00 5.24 -0.16 2.41 1.01 0.55 -1.85 120.40 125.60 1n9r s VAL 78 Ca 0.28 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.68 1n9r s VAL 78 Cb 0.13 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1n9r s VAL 78 CO 0.22 0.27 0.22 0.25 0.00 0.00 0.00 175.10 176.06 1n9r h LEU 79 N 7.59 0.00 -7.95 3.92 5.85 -1.45 -3.45 115.31 119.82 1n9r h LEU 79 Ca -0.37 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.00 1n9r h LEU 79 Cb 1.16 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1n9r h LEU 79 CO 0.70 1.03 0.32 -0.72 -0.34 0.00 0.00 178.44 179.43 1n9r s TYR 80 N -2.16 -0.04 -0.00 1.25 -0.85 -1.19 -5.04 117.35 109.32 1n9r s TYR 80 Ca -0.18 -0.47 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1n9r s TYR 80 Cb 0.02 0.75 -0.01 0.00 0.38 0.00 0.00 41.96 43.10 1n9r s TYR 80 CO 0.43 -1.27 -0.07 0.42 -1.52 0.00 0.00 175.55 173.54 1n9r s ILE 81 N -3.05 0.54 0.07 -3.49 1.01 -1.26 -1.91 121.20 113.10 1n9r s ILE 81 Ca 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1n9r s ILE 81 Cb -0.05 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1n9r s ILE 81 CO 0.08 0.13 -0.06 0.00 0.00 0.00 0.00 174.94 175.09 1n9r s ARG 82 N -0.21 0.67 -0.07 2.79 1.70 -0.68 -4.98 118.95 118.16 1n9r s ARG 82 Ca 0.02 -1.10 -0.23 0.00 -0.47 0.00 0.00 55.73 53.96 1n9r s ARG 82 Cb -0.03 -0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 1n9r s ARG 82 CO -0.00 -0.02 0.67 -2.00 -1.08 0.00 0.00 175.30 172.87 1n9r s GLU 83 N -3.03 4.42 0.18 3.89 2.12 -1.26 -0.14 118.70 124.88 1n9r s GLU 83 Ca 0.03 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 55.88 1n9r s GLU 83 Cb 0.00 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 1n9r s GLU 83 CO -0.04 0.07 1.08 -0.51 -0.54 0.00 0.00 175.26 175.32 1n9r s LEU 84 N 0.78 4.50 -0.27 2.70 1.43 0.15 -4.85 118.68 123.13 1n9r s LEU 84 Ca 0.36 2.06 -0.35 0.00 -1.03 0.00 0.00 54.13 55.17 1n9r s LEU 84 Cb -0.17 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 1n9r s LEU 84 CO 0.17 -0.18 2.05 -0.81 0.23 0.00 0.00 176.35 177.82 1n9r n PRO 85 N 2.29 1.39 0.00 1.29 -0.04 -1.26 -4.81 135.00 133.86 1n9r n PRO 85 Ca 0.02 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1n9r n PRO 85 Cb 0.46 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1n9r n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73