#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s n LEU 19 N 0.00 5.62 0.25 -2.13 4.32 -1.26 -4.65 117.00 119.15 1n9s n LEU 19 Ca 0.00 -3.13 0.14 0.00 -0.02 0.00 0.00 56.01 53.00 1n9s n LEU 19 Cb 0.00 -0.70 0.51 0.00 -1.62 0.00 0.00 43.42 41.61 1n9s n LEU 19 CO 0.00 0.75 0.89 0.50 -1.22 0.00 0.00 177.39 178.31 1n9s h LYS 20 N 2.93 0.00 0.00 3.23 3.64 -1.99 -3.12 116.57 121.26 1n9s h LYS 20 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1n9s h LYS 20 Cb 2.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1n9s h LYS 20 CO 0.58 0.07 0.00 0.41 -2.27 0.00 0.00 179.45 178.24 1n9s n GLY 21 N 0.31 -0.58 0.00 5.01 0.00 -1.26 -1.86 105.19 106.81 1n9s n GLY 21 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1n9s n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n9s n LEU 22 N -0.58 0.00 -4.36 0.99 4.77 -1.18 -5.01 117.00 111.63 1n9s n LEU 22 Ca 0.02 -0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.40 1n9s n LEU 22 Cb 0.01 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1n9s n LEU 22 CO 0.02 0.00 -0.24 0.52 -1.33 0.00 0.00 177.39 176.35 1n9s n VAL 23 N -1.08 1.12 -1.43 4.08 0.31 -0.78 0.04 118.33 120.59 1n9s n VAL 23 Ca 0.00 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.69 1n9s n VAL 23 Cb 0.00 -0.27 -0.06 0.00 -0.91 0.00 0.00 33.84 32.61 1n9s n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n9s n ASN 24 N 1.76 -3.62 -4.89 4.52 3.02 -0.04 -4.95 115.26 111.07 1n9s n ASN 24 Ca 0.11 0.33 -0.20 0.00 -0.03 0.00 0.00 54.58 54.79 1n9s n ASN 24 Cb 0.42 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 1n9s n ASN 24 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1n9s s HIS 25 N -2.18 2.84 -0.56 3.10 3.76 0.11 -4.87 115.29 117.50 1n9s s HIS 25 Ca 0.00 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.36 1n9s s HIS 25 Cb 0.00 -2.00 0.10 0.00 1.11 0.00 0.00 32.58 31.79 1n9s s HIS 25 CO 0.00 0.01 0.62 0.50 -0.85 0.00 0.00 174.74 175.02 1n9s s ARG 26 N -4.09 3.04 0.29 1.40 3.52 -1.26 -1.63 118.95 120.22 1n9s s ARG 26 Ca 0.45 -1.34 0.11 0.00 -0.13 0.00 0.00 55.73 54.82 1n9s s ARG 26 Cb -0.06 -4.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.05 1n9s s ARG 26 CO 0.28 -1.40 -0.11 0.14 -0.81 0.00 0.00 175.30 173.40 1n9s s VAL 27 N 2.35 2.73 -0.25 7.11 -7.23 -0.13 0.29 120.40 125.28 1n9s s VAL 27 Ca 0.10 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1n9s s VAL 27 Cb -0.25 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.20 1n9s s VAL 27 CO 0.06 -0.35 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.58 1n9s s GLY 28 N -3.59 1.61 -0.25 2.32 0.00 0.33 -1.17 107.32 106.57 1n9s s GLY 28 Ca 0.31 -1.53 -0.10 0.00 0.00 0.00 0.00 44.72 43.40 1n9s s GLY 28 CO 0.17 0.52 0.16 0.14 0.00 0.00 0.00 173.10 174.09 1n9s s VAL 29 N 1.26 5.21 -0.09 1.40 1.01 0.11 -1.86 120.40 127.44 1n9s s VAL 29 Ca -0.02 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1n9s s VAL 29 Cb -0.17 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1n9s s VAL 29 CO -0.06 0.31 -0.07 -0.75 0.00 0.00 0.00 175.10 174.54 1n9s s LYS 30 N 1.37 2.99 0.45 2.72 2.47 -0.53 -0.56 119.74 128.64 1n9s s LYS 30 Ca 0.07 -0.55 0.01 0.00 -1.56 0.00 0.00 55.97 53.94 1n9s s LYS 30 Cb -0.15 -2.66 -0.00 0.00 -1.46 0.00 0.00 37.83 33.56 1n9s s LYS 30 CO 0.07 0.55 0.66 -0.51 0.16 0.00 0.00 175.35 176.28 1n9s s LEU 31 N -0.49 3.65 -0.01 5.43 1.43 -1.09 -0.56 118.68 127.04 1n9s s LEU 31 Ca 0.07 0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 53.17 1n9s s LEU 31 Cb -0.12 -3.12 -0.17 0.00 0.03 0.00 0.00 46.19 42.81 1n9s s LEU 31 CO 0.02 -0.71 1.17 0.11 0.23 0.00 0.00 176.35 177.17 1n9s h LYS 32 N 0.41 -0.27 -6.05 1.70 1.57 -1.69 -3.40 116.57 108.83 1n9s h LYS 32 Ca -0.46 0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.74 1n9s h LYS 32 Cb 1.25 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 1n9s h LYS 32 CO 0.57 0.09 -0.31 -0.59 -0.57 0.00 0.00 179.45 178.64 1n9s s PHE 33 N -4.35 3.56 0.00 -1.35 -0.12 -1.26 -4.94 117.98 109.52 1n9s s PHE 33 Ca -0.14 0.67 0.00 0.00 -0.05 0.00 0.00 56.93 57.41 1n9s s PHE 33 Cb 0.02 -2.07 0.00 0.00 -0.63 0.00 0.00 43.02 40.34 1n9s s PHE 33 CO 0.55 0.53 0.00 0.09 -0.05 0.00 0.00 175.22 176.35 1n9s n ASN 34 N 0.80 -0.61 -2.90 1.98 3.02 -1.26 -4.41 115.26 111.88 1n9s n ASN 34 Ca -0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.29 1n9s n ASN 34 Cb 0.52 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.68 1n9s n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n9s n SER 35 N -0.38 2.17 -4.86 6.41 3.41 -1.26 -4.99 113.62 114.11 1n9s n SER 35 Ca 0.00 -3.14 -0.37 0.00 -0.26 0.00 0.00 58.87 55.10 1n9s n SER 35 Cb 0.00 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.33 1n9s n SER 35 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n9s s THR 36 N -3.40 5.29 -0.03 6.66 2.01 -1.26 -0.03 115.64 124.87 1n9s s THR 36 Ca 0.39 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.84 1n9s s THR 36 Cb 0.38 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1n9s s THR 36 CO -0.07 0.56 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.71 1n9s s GLU 37 N -1.18 0.43 -0.24 4.92 2.12 0.22 -2.66 118.70 122.30 1n9s s GLU 37 Ca 0.21 0.02 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 1n9s s GLU 37 Cb -0.14 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.66 1n9s s GLU 37 CO 0.10 -0.11 0.10 0.71 -0.54 0.00 0.00 175.26 175.52 1n9s s TYR 38 N 0.92 3.16 -0.11 5.30 1.51 0.28 0.16 117.35 128.57 1n9s s TYR 38 Ca -0.10 -0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1n9s s TYR 38 Cb -0.13 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1n9s s TYR 38 CO -0.01 -0.19 0.01 1.03 -1.11 0.00 0.00 175.55 175.28 1n9s s ARG 39 N 1.38 3.23 0.00 -0.62 0.52 0.17 0.07 118.95 123.70 1n9s s ARG 39 Ca 0.06 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1n9s s ARG 39 Cb -0.15 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1n9s s ARG 39 CO 0.05 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.37 1n9s n GLY 40 N 2.51 1.85 3.48 -3.53 0.00 -0.32 0.91 105.19 110.09 1n9s n GLY 40 Ca -0.18 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1n9s n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9s s THR 41 N -2.72 4.22 -0.70 2.61 2.01 -0.15 -0.95 115.64 119.95 1n9s s THR 41 Ca 0.00 -0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.52 1n9s s THR 41 Cb 0.00 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1n9s s THR 41 CO 0.00 0.40 1.56 -0.22 -0.69 0.00 0.00 174.62 175.66 1n9s s LEU 42 N 1.14 3.23 0.13 4.42 2.96 -0.64 0.22 118.68 130.14 1n9s s LEU 42 Ca 0.04 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1n9s s LEU 42 Cb -0.14 -2.55 -0.16 0.00 0.50 0.00 0.00 46.19 43.84 1n9s s LEU 42 CO 0.02 -2.08 1.30 0.58 -1.32 0.00 0.00 176.35 174.85 1n9s h VAL 43 N 6.47 1.66 -1.85 1.68 2.07 -1.46 -0.07 116.25 124.75 1n9s h VAL 43 Ca -0.24 -3.24 0.05 0.00 0.82 0.00 0.00 66.70 64.09 1n9s h VAL 43 Cb 1.09 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1n9s h VAL 43 CO 1.26 0.93 0.18 -1.54 0.02 0.00 0.00 177.57 178.42 1n9s n SER 44 N -3.42 -0.52 -0.19 0.57 3.41 -1.23 -4.82 113.62 107.42 1n9s n SER 44 Ca -0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1n9s n SER 44 Cb 0.92 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 1n9s n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n9s n THR 45 N -0.22 0.00 -3.61 6.66 -1.04 -1.26 -3.66 114.28 111.15 1n9s n THR 45 Ca -0.01 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.97 1n9s n THR 45 Cb 0.18 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.67 1n9s n THR 45 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1n9s s ASP 46 N 1.42 -0.09 0.35 8.00 -4.77 -1.23 -4.94 116.67 115.41 1n9s s ASP 46 Ca 0.00 -0.01 0.15 0.00 -3.30 0.00 0.00 52.55 49.39 1n9s s ASP 46 Cb 0.00 0.10 1.15 0.00 -1.09 0.00 0.00 42.92 43.09 1n9s s ASP 46 CO 0.00 -0.17 1.58 0.78 0.70 0.00 0.00 175.17 178.06 1n9s h ASN 47 N 2.00 0.06 0.00 2.11 2.35 -2.00 0.19 115.58 120.30 1n9s h ASN 47 Ca -0.08 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1n9s h ASN 47 Cb 1.16 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.87 1n9s h ASN 47 CO 0.22 -0.41 0.16 1.88 -1.65 0.00 0.00 177.43 177.64 1n9s h TYR 48 N 0.01 0.00 -0.80 1.19 -1.99 -2.05 -3.46 116.97 109.87 1n9s h TYR 48 Ca 0.77 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 61.33 1n9s h TYR 48 Cb 1.91 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.60 1n9s h TYR 48 CO -0.17 0.00 -0.18 1.19 -0.00 0.00 0.00 178.16 178.99 1n9s n PHE 49 N -2.29 -0.20 -3.12 4.88 3.01 0.67 -4.63 117.46 115.79 1n9s n PHE 49 Ca -0.01 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 1n9s n PHE 49 Cb 0.20 -1.94 -0.05 0.00 -0.01 0.00 0.00 39.48 37.67 1n9s n PHE 49 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1n9s s ASN 50 N -2.77 7.09 0.02 4.37 0.01 -1.26 -2.61 114.94 119.80 1n9s s ASN 50 Ca 0.00 1.30 -0.02 0.00 -0.71 0.00 0.00 52.86 53.43 1n9s s ASN 50 Cb 0.00 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 1n9s s ASN 50 CO 0.00 0.10 0.02 -1.48 -1.51 0.00 0.00 177.10 174.23 1n9s s LEU 51 N -0.30 2.06 -0.26 0.60 0.05 0.07 -3.53 118.68 117.37 1n9s s LEU 51 Ca 0.34 -0.49 -0.07 0.00 0.05 0.00 0.00 54.13 53.96 1n9s s LEU 51 Cb -0.19 0.29 -0.01 0.00 -2.05 0.00 0.00 46.19 44.23 1n9s s LEU 51 CO 0.20 -0.37 0.06 -1.58 -0.55 0.00 0.00 176.35 174.11 1n9s s GLN 52 N -1.80 3.40 -0.00 1.48 0.74 -1.24 0.21 119.66 122.44 1n9s s GLN 52 Ca -0.12 -0.65 0.05 0.00 0.05 0.00 0.00 55.36 54.69 1n9s s GLN 52 Cb -0.07 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1n9s s GLN 52 CO -0.02 -0.29 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.13 1n9s s LEU 53 N 1.56 2.84 0.09 3.68 2.96 0.22 -1.11 118.68 128.91 1n9s s LEU 53 Ca 0.05 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1n9s s LEU 53 Cb -0.16 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1n9s s LEU 53 CO 0.02 0.30 -0.14 0.21 -1.32 0.00 0.00 176.35 175.42 1n9s s ASN 54 N -1.18 4.14 -1.55 3.68 3.84 0.13 -0.43 114.94 123.59 1n9s s ASN 54 Ca 0.14 -0.43 -0.14 0.00 0.21 0.00 0.00 52.86 52.64 1n9s s ASN 54 Cb -0.11 -0.72 0.09 0.00 -0.55 0.00 0.00 41.25 39.97 1n9s s ASN 54 CO 0.04 0.20 0.94 -1.84 -2.79 0.00 0.00 177.10 173.65 1n9s n GLU 55 N 0.93 -5.17 -2.10 0.43 0.28 -1.22 -0.98 120.64 112.81 1n9s n GLU 55 Ca -0.15 0.57 -0.42 0.00 -0.16 0.00 0.00 57.16 57.01 1n9s n GLU 55 Cb 0.52 -5.44 -0.03 0.00 1.43 0.00 0.00 31.44 27.92 1n9s n GLU 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n9s s ALA 56 N -3.28 3.62 -0.15 -1.84 0.00 -1.09 -4.67 121.76 114.35 1n9s s ALA 56 Ca 0.66 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.85 1n9s s ALA 56 Cb -0.34 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1n9s s ALA 56 CO 0.82 -0.66 -0.18 -2.00 0.00 0.00 0.00 175.76 173.74 1n9s s GLU 57 N 0.56 2.72 0.49 0.00 2.12 0.26 -1.94 118.70 122.91 1n9s s GLU 57 Ca 0.63 -0.73 -0.20 0.00 0.36 0.00 0.00 54.97 55.03 1n9s s GLU 57 Cb -0.39 -2.34 -0.08 0.00 0.26 0.00 0.00 34.13 31.58 1n9s s GLU 57 CO 0.35 -0.16 1.03 -2.00 -0.54 0.00 0.00 175.26 173.94 1n9s s GLU 58 N 1.21 3.81 -0.17 4.30 2.12 -0.79 0.44 118.70 129.62 1n9s s GLU 58 Ca 0.01 1.33 -0.08 0.00 0.36 0.00 0.00 54.97 56.59 1n9s s GLU 58 Cb -0.14 -2.10 0.07 0.00 0.26 0.00 0.00 34.13 32.22 1n9s s GLU 58 CO -0.09 -0.42 0.39 -0.06 -0.54 0.00 0.00 175.26 174.55 1n9s s PHE 59 N -2.03 -0.62 -0.15 5.30 0.40 0.12 -2.78 117.98 118.23 1n9s s PHE 59 Ca 0.67 1.29 -0.01 0.00 -0.60 0.00 0.00 56.93 58.27 1n9s s PHE 59 Cb -0.16 0.24 -0.01 0.00 0.51 0.00 0.00 43.02 43.60 1n9s s PHE 59 CO 0.20 -0.37 -0.11 0.08 0.70 0.00 0.00 175.22 175.73 1n9s s VAL 60 N 1.73 3.15 -1.41 -0.44 1.01 0.50 0.69 120.40 125.64 1n9s s VAL 60 Ca -0.07 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1n9s s VAL 60 Cb -0.10 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.08 1n9s s VAL 60 CO -0.12 0.51 0.53 0.00 0.00 0.00 0.00 175.10 176.02 1n9s n ALA 61 N 3.74 -1.15 -1.08 5.51 0.00 0.95 0.35 120.51 128.83 1n9s n ALA 61 Ca -0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 1n9s n ALA 61 Cb 0.52 -2.56 -0.01 0.00 0.00 0.00 0.00 19.45 17.40 1n9s n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9s n GLY 62 N -1.09 0.59 3.26 0.00 0.00 -1.26 -5.01 105.19 101.67 1n9s n GLY 62 Ca 0.06 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1n9s n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n9s s VAL 63 N -2.04 2.34 0.26 1.61 1.01 0.15 -5.09 120.40 118.66 1n9s s VAL 63 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1n9s s VAL 63 Cb 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 1n9s s VAL 63 CO 0.00 0.55 1.37 -0.55 0.00 0.00 0.00 175.10 176.47 1n9s s SER 64 N 0.41 6.75 -0.19 3.32 0.15 -1.26 -0.37 113.70 122.50 1n9s s SER 64 Ca -0.15 2.61 0.13 0.00 0.70 0.00 0.00 55.95 59.24 1n9s s SER 64 Cb -0.17 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 61.94 1n9s s SER 64 CO 0.07 -0.61 1.20 1.41 1.20 0.00 0.00 173.24 176.51 1n9s n HIS 65 N 1.95 0.56 0.00 3.44 8.25 -1.12 -4.90 115.22 123.40 1n9s n HIS 65 Ca 0.05 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 1n9s n HIS 65 Cb 0.41 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1n9s n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9s n GLY 66 N -0.77 0.96 3.01 -1.41 0.00 -1.26 -4.77 105.19 100.96 1n9s n GLY 66 Ca 0.21 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1n9s n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9s s THR 67 N -1.30 1.87 0.47 2.61 2.01 -1.26 -1.89 115.64 118.15 1n9s s THR 67 Ca 0.00 -1.40 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 1n9s s THR 67 Cb 0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1n9s s THR 67 CO 0.00 -0.02 0.73 -0.76 -0.69 0.00 0.00 174.62 173.88 1n9s s LEU 68 N 1.25 3.64 0.00 4.42 1.43 -0.82 -5.02 118.68 123.57 1n9s s LEU 68 Ca -0.07 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1n9s s LEU 68 Cb -0.19 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1n9s s LEU 68 CO -0.06 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.49 1n9s n GLY 69 N -2.18 -0.40 3.73 -3.19 0.00 -1.26 -3.39 105.19 98.50 1n9s n GLY 69 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1n9s n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9s s GLU 70 N 0.00 4.50 0.05 1.61 0.41 -1.26 -2.69 118.70 121.32 1n9s s GLU 70 Ca 0.00 1.09 0.06 0.00 -0.41 0.00 0.00 54.97 55.71 1n9s s GLU 70 Cb 0.00 -3.42 -0.02 0.00 -1.78 0.00 0.00 34.13 28.91 1n9s s GLU 70 CO 0.00 0.13 -0.17 0.96 -0.49 0.00 0.00 175.26 175.69 1n9s s ILE 71 N 0.49 1.38 -0.28 -1.63 -4.36 0.43 -4.96 121.20 112.27 1n9s s ILE 71 Ca 0.41 -1.13 -0.05 0.00 -0.26 0.00 0.00 60.65 59.62 1n9s s ILE 71 Cb -0.20 -1.23 0.02 0.00 1.25 0.00 0.00 42.46 42.30 1n9s s ILE 71 CO 0.23 0.07 0.04 -0.36 0.24 0.00 0.00 174.94 175.16 1n9s s PHE 72 N -0.87 3.13 0.03 1.37 0.40 -1.26 0.69 117.98 121.48 1n9s s PHE 72 Ca 0.04 -1.17 -0.06 0.00 -0.60 0.00 0.00 56.93 55.14 1n9s s PHE 72 Cb -0.08 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1n9s s PHE 72 CO 0.02 -0.63 0.28 0.42 0.70 0.00 0.00 175.22 176.01 1n9s s ILE 73 N 1.44 5.29 -0.20 0.64 1.01 0.55 -4.93 121.20 125.00 1n9s s ILE 73 Ca 0.02 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 1n9s s ILE 73 Cb -0.17 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1n9s s ILE 73 CO 0.01 0.31 0.19 -0.13 0.00 0.00 0.00 174.94 175.31 1n9s s ARG 74 N -1.92 4.18 0.03 2.79 1.81 -1.26 -0.75 118.95 123.83 1n9s s ARG 74 Ca 0.30 -0.14 -0.05 0.00 -1.72 0.00 0.00 55.73 54.12 1n9s s ARG 74 Cb -0.13 -3.45 -0.01 0.00 -0.45 0.00 0.00 34.95 30.90 1n9s s ARG 74 CO 0.18 0.21 0.64 -1.13 -0.68 0.00 0.00 175.30 174.52 1n9s n SER 75 N 3.76 -0.18 -0.14 0.23 3.41 -1.07 -2.46 113.62 117.17 1n9s n SER 75 Ca -0.14 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1n9s n SER 75 Cb 0.52 -0.23 0.23 0.00 -0.26 0.00 0.00 64.21 64.47 1n9s n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1n9s n ASN 76 N -3.19 0.11 -0.19 4.04 5.03 -1.26 0.17 115.26 119.97 1n9s n ASN 76 Ca 0.00 0.70 0.15 0.00 0.87 0.00 0.00 54.58 56.31 1n9s n ASN 76 Cb 0.04 -0.33 0.73 0.00 -1.02 0.00 0.00 39.78 39.21 1n9s n ASN 76 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1n9s n ASN 77 N -4.04 0.61 -4.65 6.41 3.02 -1.03 -4.87 115.26 110.70 1n9s n ASN 77 Ca 0.15 -1.07 -0.38 0.00 -0.03 0.00 0.00 54.58 53.25 1n9s n ASN 77 Cb 0.50 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.57 1n9s n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n9s s VAL 78 N -2.11 5.20 -0.04 2.41 1.01 0.44 -1.88 120.40 125.44 1n9s s VAL 78 Ca 0.40 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 1n9s s VAL 78 Cb 0.21 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1n9s s VAL 78 CO 0.38 0.23 0.01 0.25 0.00 0.00 0.00 175.10 175.97 1n9s h LEU 79 N 7.88 -0.00 -7.61 3.92 5.85 -1.05 -3.45 115.31 120.84 1n9s h LEU 79 Ca -0.35 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1n9s h LEU 79 Cb 1.16 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.10 1n9s h LEU 79 CO 0.70 0.18 0.09 -0.72 -0.34 0.00 0.00 178.44 178.35 1n9s s TYR 80 N -1.22 -0.20 -0.05 1.25 -0.85 -1.18 -5.03 117.35 110.08 1n9s s TYR 80 Ca -0.00 -0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.46 1n9s s TYR 80 Cb 0.00 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 1n9s s TYR 80 CO 0.00 -0.95 -0.19 0.42 -1.52 0.00 0.00 175.55 173.31 1n9s s ILE 81 N -3.86 2.62 0.03 -3.49 1.01 -1.26 -1.46 121.20 114.79 1n9s s ILE 81 Ca 0.08 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1n9s s ILE 81 Cb -0.02 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1n9s s ILE 81 CO -0.03 0.58 -0.05 0.00 0.00 0.00 0.00 174.94 175.44 1n9s s ARG 82 N -0.56 0.39 0.30 2.79 1.70 -0.78 -4.97 118.95 117.82 1n9s s ARG 82 Ca 0.08 -0.62 -0.28 0.00 -0.47 0.00 0.00 55.73 54.44 1n9s s ARG 82 Cb -0.11 -0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 34.09 1n9s s ARG 82 CO 0.01 0.00 0.99 -2.00 -1.08 0.00 0.00 175.30 173.21 1n9s s GLU 83 N -1.37 4.63 0.08 3.89 2.12 -1.26 0.12 118.70 126.91 1n9s s GLU 83 Ca -0.12 1.50 -0.29 0.00 0.36 0.00 0.00 54.97 56.43 1n9s s GLU 83 Cb -0.09 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1n9s s GLU 83 CO -0.00 0.29 0.91 -0.51 -0.54 0.00 0.00 175.26 175.41 1n9s s LEU 84 N -1.72 4.47 0.00 2.70 1.43 0.84 -4.76 118.68 121.64 1n9s s LEU 84 Ca 0.47 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1n9s s LEU 84 Cb -0.24 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1n9s s LEU 84 CO 0.30 -0.07 0.42 -2.65 0.23 0.00 0.00 176.35 174.59 1n9s n PRO 85 N 2.94 0.00 0.00 1.29 -0.02 -1.26 -4.82 135.00 133.13 1n9s n PRO 85 Ca 0.02 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1n9s n PRO 85 Cb 0.50 -0.87 0.03 0.00 -0.02 0.00 0.00 33.50 33.14 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75