#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 0.01 0.04 1.96 5.02 -1.26 -1.95 118.16 121.97 1n9r n LYS 20 Ca 0.00 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1n9r n LYS 20 Cb 0.00 -1.68 0.44 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.34 -1.28 0.37 0.72 0.00 -1.26 -2.81 105.19 99.60 1n9r n GLY 21 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.76 1.70 -4.58 0.99 4.77 -0.83 -4.90 117.00 112.39 1n9r n LEU 22 Ca 0.04 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 1n9r n LEU 22 Cb 0.26 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1n9r n LEU 22 CO 0.20 0.33 0.51 0.52 -1.33 0.00 0.00 177.39 177.63 1n9r n VAL 23 N -0.40 2.21 -0.91 4.08 0.31 -1.12 -0.19 118.33 122.31 1n9r n VAL 23 Ca 0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1n9r n VAL 23 Cb 0.43 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 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 0.84 -4.20 -4.95 4.52 3.02 0.13 -4.94 115.26 109.67 1n9r n ASN 24 Ca 0.10 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.41 1n9r n ASN 24 Cb 0.37 -2.75 -0.02 0.00 -0.61 0.00 0.00 39.78 36.78 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 -1.26 3.48 -0.33 3.10 3.76 0.73 -4.79 115.29 119.98 1n9r s HIS 25 Ca 0.00 0.24 -0.28 0.00 -0.15 0.00 0.00 55.06 54.88 1n9r s HIS 25 Cb 0.00 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.91 1n9r s HIS 25 CO 0.00 0.24 1.01 0.50 -0.85 0.00 0.00 174.74 175.64 1n9r s ARG 26 N -4.13 3.99 0.37 1.40 3.52 -1.26 -0.39 118.95 122.45 1n9r s ARG 26 Ca 0.38 0.89 0.05 0.00 -0.13 0.00 0.00 55.73 56.92 1n9r s ARG 26 Cb -0.10 -3.76 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 1n9r s ARG 26 CO 0.33 -0.90 0.04 0.14 -0.81 0.00 0.00 175.30 174.10 1n9r s VAL 27 N 3.56 1.53 -0.11 7.11 -7.23 0.41 -0.90 120.40 124.77 1n9r s VAL 27 Ca 0.42 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1n9r s VAL 27 Cb -0.12 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1n9r s VAL 27 CO 0.16 0.00 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.99 1n9r s GLY 28 N -3.59 0.98 -0.36 2.32 0.00 0.13 -1.65 107.32 105.15 1n9r s GLY 28 Ca 0.35 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 1n9r s GLY 28 CO 0.16 0.37 0.15 0.14 0.00 0.00 0.00 173.10 173.93 1n9r s VAL 29 N 1.15 4.14 0.10 1.40 1.01 0.62 -0.64 120.40 128.19 1n9r s VAL 29 Ca -0.04 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1n9r s VAL 29 Cb -0.14 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1n9r s VAL 29 CO -0.04 -0.22 0.60 -0.75 0.00 0.00 0.00 175.10 174.69 1n9r s LYS 30 N 1.47 4.21 0.20 2.72 2.47 -0.96 -0.39 119.74 129.46 1n9r s LYS 30 Ca 0.00 0.75 0.04 0.00 -1.56 0.00 0.00 55.97 55.20 1n9r s LYS 30 Cb -0.19 -3.17 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 1n9r s LYS 30 CO 0.04 0.60 0.32 -0.51 0.16 0.00 0.00 175.35 175.96 1n9r s LEU 31 N -1.29 4.31 0.09 5.43 1.43 -0.87 -0.02 118.68 127.76 1n9r s LEU 31 Ca 0.32 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 1n9r s LEU 31 Cb -0.19 -2.86 -0.15 0.00 0.03 0.00 0.00 46.19 43.02 1n9r s LEU 31 CO 0.20 -0.01 1.72 0.11 0.23 0.00 0.00 176.35 178.60 1n9r h LYS 32 N 1.62 -0.12 -6.55 1.70 1.57 -1.58 -3.42 116.57 109.79 1n9r h LYS 32 Ca -0.50 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 57.77 1n9r h LYS 32 Cb 1.21 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1n9r h LYS 32 CO 0.64 -0.08 -0.10 -0.59 -0.57 0.00 0.00 179.45 178.76 1n9r s PHE 33 N -6.17 3.48 0.00 -1.35 -0.12 -1.26 -4.92 117.98 107.64 1n9r s PHE 33 Ca -0.14 0.70 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1n9r s PHE 33 Cb 0.06 -2.15 0.00 0.00 -0.63 0.00 0.00 43.02 40.29 1n9r s PHE 33 CO 0.66 0.12 0.00 0.09 -0.05 0.00 0.00 175.22 176.04 1n9r n ASN 34 N -1.04 0.00 -3.08 1.98 3.02 -1.26 -4.26 115.26 110.62 1n9r n ASN 34 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 1n9r n ASN 34 Cb 0.54 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 1.18 0.08 -4.54 6.41 3.41 -1.26 -5.03 113.62 113.87 1n9r n SER 35 Ca 0.00 -3.17 -0.34 0.00 -0.26 0.00 0.00 58.87 55.10 1n9r n SER 35 Cb 0.00 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.79 3.72 -0.03 6.66 2.01 -1.26 -1.58 115.64 123.36 1n9r s THR 36 Ca 0.36 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1n9r s THR 36 Cb 0.34 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 70.29 1n9r s THR 36 CO -0.07 0.56 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.63 1n9r s GLU 37 N -0.38 0.99 -0.28 4.92 2.12 0.15 -2.05 118.70 124.18 1n9r s GLU 37 Ca 0.06 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 54.98 1n9r s GLU 37 Cb -0.12 -0.92 -0.05 0.00 0.26 0.00 0.00 34.13 33.30 1n9r s GLU 37 CO 0.02 0.09 0.24 0.71 -0.54 0.00 0.00 175.26 175.78 1n9r s TYR 38 N 0.30 3.23 -0.09 5.30 1.51 0.48 0.02 117.35 128.09 1n9r s TYR 38 Ca -0.05 0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.19 1n9r s TYR 38 Cb -0.10 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 1n9r s TYR 38 CO 0.01 -0.17 0.00 1.03 -1.11 0.00 0.00 175.55 175.30 1n9r s ARG 39 N 1.83 3.04 0.00 -0.62 0.52 0.10 -0.28 118.95 123.54 1n9r s ARG 39 Ca 0.09 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1n9r s ARG 39 Cb -0.16 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1n9r s ARG 39 CO 0.11 0.67 0.00 0.41 0.02 0.00 0.00 175.30 176.51 1n9r n GLY 40 N 2.24 -1.24 3.82 -3.53 0.00 -0.66 0.17 105.19 105.99 1n9r n GLY 40 Ca -0.19 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 5.24 -0.69 2.61 2.01 0.07 0.15 115.64 122.03 1n9r s THR 41 Ca 0.00 0.58 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 1n9r s THR 41 Cb 0.00 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.97 1n9r s THR 41 CO 0.00 0.55 1.05 -0.22 -0.69 0.00 0.00 174.62 175.31 1n9r s LEU 42 N -0.69 4.09 -0.02 4.42 2.96 0.48 -0.66 118.68 129.26 1n9r s LEU 42 Ca 0.19 -0.90 -0.22 0.00 -0.22 0.00 0.00 54.13 52.98 1n9r s LEU 42 Cb -0.14 -2.45 -0.15 0.00 0.50 0.00 0.00 46.19 43.94 1n9r s LEU 42 CO 0.08 -1.53 1.00 0.58 -1.32 0.00 0.00 176.35 175.16 1n9r h VAL 43 N 6.00 0.65 -3.33 1.68 2.07 -1.70 0.37 116.25 121.98 1n9r h VAL 43 Ca -0.27 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1n9r h VAL 43 Cb 1.06 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1n9r h VAL 43 CO 1.21 0.14 0.05 -0.94 0.02 0.00 0.00 177.57 178.05 1n9r s SER 44 N -5.20 -0.19 0.00 0.57 1.04 -1.21 -4.61 113.70 104.10 1n9r s SER 44 Ca -0.13 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1n9r s SER 44 Cb 0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1n9r s SER 44 CO 0.47 -1.21 0.00 0.41 0.98 0.00 0.00 173.24 173.90 1n9r n THR 45 N -0.40 0.00 -3.61 2.02 -1.04 -1.26 -1.53 114.28 108.45 1n9r n THR 45 Ca -0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.90 1n9r n THR 45 Cb 0.61 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.10 -0.24 0.14 8.00 -4.77 -1.23 -4.98 116.67 113.70 1n9r s ASP 46 Ca 0.00 0.30 0.05 0.00 -3.30 0.00 0.00 52.55 49.60 1n9r s ASP 46 Cb 0.00 0.25 0.44 0.00 -1.09 0.00 0.00 42.92 42.52 1n9r s ASP 46 CO 0.00 -0.19 0.65 0.59 0.70 0.00 0.00 175.17 176.92 1n9r n ASN 47 N 0.87 0.05 0.00 2.11 3.02 -1.26 0.17 115.26 120.22 1n9r n ASN 47 Ca -0.07 0.70 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 1n9r n ASN 47 Cb 0.58 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 -4.17 0.00 -3.31 3.10 4.02 -1.26 -4.80 117.16 110.74 1n9r n TYR 48 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.78 1n9r n TYR 48 Cb 0.43 -0.04 0.04 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.03 -2.20 -3.79 -0.72 3.01 0.45 -4.30 117.46 108.87 1n9r n PHE 49 Ca 0.00 0.67 -0.37 0.00 1.01 0.00 0.00 57.45 58.77 1n9r n PHE 49 Cb 0.00 -4.33 -0.13 0.00 -0.01 0.00 0.00 39.48 35.01 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 -2.92 4.97 0.09 4.37 0.01 -1.24 -1.51 114.94 118.70 1n9r s ASN 50 Ca 0.43 -0.57 0.04 0.00 -0.71 0.00 0.00 52.86 52.05 1n9r s ASN 50 Cb -0.20 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 1n9r s ASN 50 CO 0.53 -0.13 -0.10 -1.48 -1.51 0.00 0.00 177.10 174.40 1n9r s LEU 51 N 1.51 2.37 -0.14 0.60 0.05 -0.64 -3.51 118.68 118.93 1n9r s LEU 51 Ca 0.04 -0.76 -0.02 0.00 0.05 0.00 0.00 54.13 53.44 1n9r s LEU 51 Cb -0.16 -0.32 -0.02 0.00 -2.05 0.00 0.00 46.19 43.64 1n9r s LEU 51 CO 0.01 -0.23 -0.09 -1.58 -0.55 0.00 0.00 176.35 173.92 1n9r s GLN 52 N -2.53 3.48 -0.03 1.48 0.74 -0.58 -0.90 119.66 121.33 1n9r s GLN 52 Ca 0.03 -0.60 0.07 0.00 0.05 0.00 0.00 55.36 54.91 1n9r s GLN 52 Cb -0.05 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 1n9r s GLN 52 CO 0.00 0.25 -0.25 -1.17 -0.55 0.00 0.00 175.29 173.58 1n9r s LEU 53 N 0.28 2.05 0.01 3.68 2.96 0.04 -1.85 118.68 125.85 1n9r s LEU 53 Ca -0.07 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 1n9r s LEU 53 Cb -0.15 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1n9r s LEU 53 CO 0.04 0.30 -0.12 0.21 -1.32 0.00 0.00 176.35 175.46 1n9r s ASN 54 N -0.51 4.22 -1.22 3.68 3.84 0.16 -1.90 114.94 123.21 1n9r s ASN 54 Ca 0.07 -0.26 -0.02 0.00 0.21 0.00 0.00 52.86 52.87 1n9r s ASN 54 Cb -0.10 -0.87 0.00 0.00 -0.55 0.00 0.00 41.25 39.73 1n9r s ASN 54 CO -0.00 0.28 1.02 -0.62 -2.79 0.00 0.00 177.10 175.00 1n9r n GLU 55 N 1.67 -6.82 -2.64 0.43 1.02 -1.11 -0.75 120.64 112.44 1n9r n GLU 55 Ca -0.16 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.41 1n9r n GLU 55 Cb 0.52 -5.84 -0.04 0.00 -0.02 0.00 0.00 31.44 26.06 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 -3.35 3.28 -0.08 0.62 0.00 -0.68 -4.38 121.76 117.17 1n9r s ALA 56 Ca 0.11 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1n9r s ALA 56 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1n9r s ALA 56 CO 0.72 -0.15 -0.21 -2.00 0.00 0.00 0.00 175.76 174.13 1n9r s GLU 57 N 0.17 2.55 -0.20 0.00 2.12 0.46 0.28 118.70 124.09 1n9r s GLU 57 Ca 0.50 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.87 1n9r s GLU 57 Cb -0.25 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 1n9r s GLU 57 CO 0.31 0.16 0.68 -2.00 -0.54 0.00 0.00 175.26 173.87 1n9r s GLU 58 N 0.35 4.22 -0.14 4.30 2.12 0.01 0.02 118.70 129.59 1n9r s GLU 58 Ca -0.15 0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1n9r s GLU 58 Cb -0.17 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1n9r s GLU 58 CO 0.07 -0.28 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.31 1n9r s PHE 59 N 2.03 2.79 -0.26 5.30 0.40 0.10 -0.42 117.98 127.93 1n9r s PHE 59 Ca 0.31 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1n9r s PHE 59 Cb -0.16 -1.85 0.05 0.00 0.51 0.00 0.00 43.02 41.57 1n9r s PHE 59 CO 0.11 -0.30 -0.09 0.08 0.70 0.00 0.00 175.22 175.72 1n9r s VAL 60 N 0.49 2.43 -1.54 -0.44 1.01 -0.33 -0.67 120.40 121.35 1n9r s VAL 60 Ca -0.10 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 60.32 1n9r s VAL 60 Cb -0.16 -2.35 0.09 0.00 0.00 0.00 0.00 36.38 33.96 1n9r s VAL 60 CO 0.04 0.05 0.97 0.00 0.00 0.00 0.00 175.10 176.16 1n9r n ALA 61 N 4.52 -1.30 -1.09 5.51 0.00 -0.62 -1.62 120.51 125.93 1n9r n ALA 61 Ca -0.15 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1n9r n ALA 61 Cb 0.44 -4.40 -0.01 0.00 0.00 0.00 0.00 19.45 15.47 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 -1.68 0.62 3.02 0.00 0.00 -1.26 -4.99 105.19 100.90 1n9r n GLY 62 Ca 0.04 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.08 1.32 0.20 1.61 1.01 -0.64 -5.09 120.40 116.73 1n9r s VAL 63 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 1n9r s VAL 63 Cb 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.05 1n9r s VAL 63 CO 0.00 0.41 1.54 -0.55 0.00 0.00 0.00 175.10 176.49 1n9r s SER 64 N 1.08 6.58 -0.27 3.32 0.15 -1.26 -1.18 113.70 122.11 1n9r s SER 64 Ca -0.06 2.67 0.09 0.00 0.70 0.00 0.00 55.95 59.36 1n9r s SER 64 Cb -0.15 -2.61 0.49 0.00 -1.71 0.00 0.00 66.02 62.05 1n9r s SER 64 CO -0.02 -0.80 1.42 1.41 1.20 0.00 0.00 173.24 176.44 1n9r n HIS 65 N 3.33 0.87 0.00 3.44 8.25 0.44 -4.92 115.22 126.64 1n9r n HIS 65 Ca 0.11 -1.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 1n9r n HIS 65 Cb 0.39 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.11 2.87 3.78 -1.41 0.00 -1.25 -4.82 105.19 103.24 1n9r n GLY 66 Ca 0.30 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.92 5.42 0.41 2.61 2.01 -1.26 -0.81 115.64 121.10 1n9r s THR 67 Ca 0.00 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.32 1n9r s THR 67 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1n9r s THR 67 CO 0.00 0.50 0.57 -0.76 -0.69 0.00 0.00 174.62 174.24 1n9r s LEU 68 N -0.13 3.69 0.00 4.42 1.43 0.80 -4.95 118.68 123.95 1n9r s LEU 68 Ca 0.11 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1n9r s LEU 68 Cb -0.12 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1n9r s LEU 68 CO 0.01 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1n9r n GLY 69 N -1.85 1.52 3.80 -3.19 0.00 -1.26 -3.35 105.19 100.86 1n9r n GLY 69 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 0.29 4.00 0.05 1.61 0.41 -1.26 -1.68 118.70 122.12 1n9r s GLU 70 Ca 0.00 0.23 0.03 0.00 -0.41 0.00 0.00 54.97 54.82 1n9r s GLU 70 Cb 0.00 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1n9r s GLU 70 CO 0.00 0.50 -0.09 0.96 -0.49 0.00 0.00 175.26 176.15 1n9r s ILE 71 N -0.39 0.64 -0.16 -1.63 -4.36 -0.80 -4.99 121.20 109.51 1n9r s ILE 71 Ca 0.20 -1.18 -0.01 0.00 -0.26 0.00 0.00 60.65 59.41 1n9r s ILE 71 Cb -0.15 -0.76 -0.01 0.00 1.25 0.00 0.00 42.46 42.80 1n9r s ILE 71 CO 0.09 -0.40 -0.13 -0.36 0.24 0.00 0.00 174.94 174.38 1n9r s PHE 72 N -1.53 2.82 -0.01 1.37 0.40 -1.26 -0.78 117.98 118.99 1n9r s PHE 72 Ca -0.07 -0.93 0.04 0.00 -0.60 0.00 0.00 56.93 55.36 1n9r s PHE 72 Cb -0.09 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1n9r s PHE 72 CO 0.00 -0.42 -0.09 0.42 0.70 0.00 0.00 175.22 175.83 1n9r s ILE 73 N 0.80 3.46 -0.13 0.64 1.01 -0.08 -4.99 121.20 121.92 1n9r s ILE 73 Ca -0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1n9r s ILE 73 Cb -0.15 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1n9r s ILE 73 CO 0.00 0.44 0.35 -0.13 0.00 0.00 0.00 174.94 175.60 1n9r s ARG 74 N -1.26 4.19 0.09 2.79 1.81 -1.26 -1.62 118.95 123.70 1n9r s ARG 74 Ca 0.15 0.21 -0.18 0.00 -1.72 0.00 0.00 55.73 54.20 1n9r s ARG 74 Cb -0.11 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 30.96 1n9r s ARG 74 CO 0.06 0.30 1.06 0.00 -0.68 0.00 0.00 175.30 176.03 1n9r n ASN 76 N -4.41 -0.05 0.00 0.00 5.03 -1.26 0.11 115.26 114.67 1n9r n ASN 76 Ca 0.01 1.61 0.14 0.00 0.87 0.00 0.00 54.58 57.21 1n9r n ASN 76 Cb 0.15 -0.61 0.86 0.00 -1.02 0.00 0.00 39.78 39.15 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 -5.37 0.00 -4.77 6.41 3.02 -1.11 -4.80 115.26 108.64 1n9r n ASN 77 Ca 0.24 -0.94 -0.38 0.00 -0.03 0.00 0.00 54.58 53.48 1n9r n ASN 77 Cb 0.79 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.90 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 5.13 -0.17 2.41 1.01 0.29 -1.58 120.40 125.49 1n9r s VAL 78 Ca 0.43 0.85 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1n9r s VAL 78 Cb 0.20 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1n9r s VAL 78 CO 0.33 0.44 -0.15 -0.11 0.00 0.00 0.00 175.10 175.61 1n9r n LEU 79 N 2.86 1.85 -3.92 3.92 7.94 0.97 -4.71 117.00 125.91 1n9r n LEU 79 Ca -0.11 0.52 -0.09 0.00 -1.11 0.00 0.00 56.01 55.22 1n9r n LEU 79 Cb 0.52 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 1n9r n LEU 79 CO 0.40 -0.22 0.18 -0.72 -1.11 0.00 0.00 177.39 175.93 1n9r s TYR 80 N -2.42 0.22 -0.07 1.96 -0.85 -1.23 -5.03 117.35 109.93 1n9r s TYR 80 Ca -0.22 -0.59 0.05 0.00 -0.52 0.00 0.00 57.07 55.80 1n9r s TYR 80 Cb 0.04 0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.60 1n9r s TYR 80 CO 0.35 -0.94 -0.24 0.42 -1.52 0.00 0.00 175.55 173.62 1n9r s ILE 81 N -3.97 1.97 0.19 -3.49 1.01 -1.26 -2.25 121.20 113.40 1n9r s ILE 81 Ca 0.18 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1n9r s ILE 81 Cb -0.00 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1n9r s ILE 81 CO 0.05 0.55 -0.11 0.00 0.00 0.00 0.00 174.94 175.42 1n9r s ARG 82 N 0.04 1.23 -0.23 2.79 1.70 0.19 -4.97 118.95 119.71 1n9r s ARG 82 Ca -0.09 -1.55 -0.16 0.00 -0.47 0.00 0.00 55.73 53.46 1n9r s ARG 82 Cb -0.15 -0.89 -0.04 0.00 -0.57 0.00 0.00 34.95 33.30 1n9r s ARG 82 CO 0.05 0.12 0.42 -2.00 -1.08 0.00 0.00 175.30 172.80 1n9r s GLU 83 N -3.70 4.12 0.06 3.89 2.12 -1.26 0.17 118.70 124.09 1n9r s GLU 83 Ca 0.21 0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 1n9r s GLU 83 Cb 0.01 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 1n9r s GLU 83 CO 0.05 -0.16 1.14 -0.51 -0.54 0.00 0.00 175.26 175.24 1n9r s LEU 84 N 1.68 4.38 -0.50 2.70 1.43 -0.08 -4.87 118.68 123.42 1n9r s LEU 84 Ca 0.18 1.93 -0.35 0.00 -1.03 0.00 0.00 54.13 54.87 1n9r s LEU 84 Cb -0.15 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.35 1n9r s LEU 84 CO 0.09 -0.40 2.30 -0.81 0.23 0.00 0.00 176.35 177.76 1n9r n PRO 85 N 3.79 0.71 0.00 1.29 -0.04 -1.26 -4.82 135.00 134.67 1n9r n PRO 85 Ca 0.08 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1n9r n PRO 85 Cb 0.47 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1n9r n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73