#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s n PHE 18 N 0.00 0.00 1.24 6.00 7.35 -1.26 -4.87 117.46 125.91 1n9s n PHE 18 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1n9s n PHE 18 Cb 0.00 0.23 0.31 0.00 0.35 0.00 0.00 39.48 40.37 1n9s n PHE 18 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1n9s n LEU 19 N -2.34 1.56 0.28 -2.13 4.77 -1.26 -4.11 117.00 113.77 1n9s n LEU 19 Ca 0.00 -0.50 0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1n9s n LEU 19 Cb 0.15 -0.05 0.94 0.00 -2.33 0.00 0.00 43.42 42.12 1n9s n LEU 19 CO 0.00 0.28 1.14 0.50 -1.33 0.00 0.00 177.39 177.98 1n9s h LYS 20 N 2.13 0.00 -0.43 3.23 3.64 -1.98 -1.13 116.57 122.04 1n9s h LYS 20 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1n9s h LYS 20 Cb 0.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1n9s h LYS 20 CO 0.00 0.00 0.13 0.78 -2.27 0.00 0.00 179.45 178.09 1n9s h GLY 21 N 0.00 0.67 1.13 5.01 0.00 -1.97 -2.79 103.07 105.11 1n9s h GLY 21 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1n9s h GLY 21 CO -0.00 0.32 -0.11 1.04 0.00 0.00 0.00 176.54 177.79 1n9s n LEU 22 N -4.34 0.35 -4.50 3.11 4.77 -0.43 -4.91 117.00 111.05 1n9s n LEU 22 Ca 0.03 0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 1n9s n LEU 22 Cb 0.18 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1n9s n LEU 22 CO 0.38 0.07 0.16 0.52 -1.33 0.00 0.00 177.39 177.19 1n9s n VAL 23 N -1.11 2.53 -1.27 4.08 0.31 -1.06 -0.88 118.33 120.94 1n9s n VAL 23 Ca 0.13 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.87 1n9s n VAL 23 Cb 0.28 -0.77 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.27 -5.66 -4.81 4.52 3.02 0.62 -4.96 115.26 108.26 1n9s n ASN 24 Ca 0.12 0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.66 1n9s n ASN 24 Cb 0.47 -3.96 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 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 -1.82 3.12 -0.15 3.10 3.76 -0.06 -4.84 115.29 118.40 1n9s s HIS 25 Ca 0.00 -0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 54.56 1n9s s HIS 25 Cb 0.00 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.24 1n9s s HIS 25 CO 0.00 0.52 0.93 0.50 -0.85 0.00 0.00 174.74 175.84 1n9s s ARG 26 N -3.58 4.34 0.25 1.40 3.52 -1.26 -1.06 118.95 122.54 1n9s s ARG 26 Ca 0.32 1.21 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 1n9s s ARG 26 Cb -0.09 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1n9s s ARG 26 CO 0.24 -0.37 0.06 0.14 -0.81 0.00 0.00 175.30 174.57 1n9s s VAL 27 N 2.25 0.71 -0.09 7.11 -7.23 0.93 -1.20 120.40 122.88 1n9s s VAL 27 Ca 0.43 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1n9s s VAL 27 Cb -0.17 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1n9s s VAL 27 CO 0.13 -0.13 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.74 1n9s s GLY 28 N -3.30 1.22 -0.20 2.32 0.00 0.19 -1.57 107.32 105.97 1n9s s GLY 28 Ca 0.34 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 1n9s s GLY 28 CO 0.11 -0.26 -0.05 0.14 0.00 0.00 0.00 173.10 173.04 1n9s s VAL 29 N 0.37 3.48 -0.18 1.40 1.01 0.00 -1.18 120.40 125.30 1n9s s VAL 29 Ca -0.17 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1n9s s VAL 29 Cb -0.17 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1n9s s VAL 29 CO 0.08 0.44 -0.01 -0.75 0.00 0.00 0.00 175.10 174.86 1n9s s LYS 30 N 1.16 3.68 0.94 2.72 2.20 -0.67 -1.03 119.74 128.74 1n9s s LYS 30 Ca 0.02 -0.50 -0.15 0.00 -0.36 0.00 0.00 55.97 54.98 1n9s s LYS 30 Cb -0.14 -3.01 0.22 0.00 -1.51 0.00 0.00 37.83 33.38 1n9s s LYS 30 CO -0.01 0.15 1.28 1.28 -0.36 0.00 0.00 175.35 177.70 1n9s n LEU 31 N 3.82 0.00 -0.00 5.43 4.77 -0.84 0.64 117.00 130.82 1n9s n LEU 31 Ca -0.17 -1.49 0.08 0.00 -0.03 0.00 0.00 56.01 54.40 1n9s n LEU 31 Cb 0.52 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1n9s n LEU 31 CO 0.33 -1.40 -0.04 2.29 -1.33 0.00 0.00 177.39 177.24 1n9s n LYS 32 N -3.70 1.43 -0.01 3.23 2.85 -0.41 -4.09 118.16 117.46 1n9s n LYS 32 Ca 0.16 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1n9s n LYS 32 Cb 0.57 -1.30 -0.04 0.00 -0.65 0.00 0.00 35.03 33.62 1n9s n LYS 32 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1n9s n PHE 33 N -1.40 0.00 -4.52 5.58 1.16 -1.26 -5.02 117.46 112.00 1n9s n PHE 33 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.36 1n9s n PHE 33 Cb 0.26 -0.16 -0.09 0.00 -1.61 0.00 0.00 39.48 37.88 1n9s n PHE 33 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1n9s s ASN 34 N -3.00 2.80 -1.37 5.98 0.01 -1.26 -5.00 114.94 113.10 1n9s s ASN 34 Ca -0.02 -1.55 -0.07 0.00 -0.71 0.00 0.00 52.86 50.51 1n9s s ASN 34 Cb 0.02 0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.97 1n9s s ASN 34 CO 0.20 -0.78 2.62 -1.54 -1.51 0.00 0.00 177.10 176.09 1n9s n SER 35 N -1.05 8.19 -4.39 -1.22 3.41 -1.26 -4.65 113.62 112.66 1n9s n SER 35 Ca -0.06 -2.94 -0.31 0.00 -0.26 0.00 0.00 58.87 55.30 1n9s n SER 35 Cb 0.66 -1.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.04 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 -0.04 2.43 -0.09 6.66 2.01 -1.26 -0.83 115.64 124.52 1n9s s THR 36 Ca 0.60 -1.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1n9s s THR 36 Cb 0.19 -1.95 0.04 0.00 0.01 0.00 0.00 72.50 70.79 1n9s s THR 36 CO -0.09 0.44 0.22 -0.70 -0.69 0.00 0.00 174.62 173.80 1n9s s GLU 37 N -1.08 0.19 -0.18 4.92 2.12 0.06 -1.99 118.70 122.74 1n9s s GLU 37 Ca 0.12 0.45 -0.07 0.00 0.36 0.00 0.00 54.97 55.82 1n9s s GLU 37 Cb -0.10 -0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 1n9s s GLU 37 CO 0.02 -0.13 0.06 0.71 -0.54 0.00 0.00 175.26 175.38 1n9s s TYR 38 N 0.99 3.26 0.07 5.30 1.51 -0.20 0.19 117.35 128.48 1n9s s TYR 38 Ca -0.07 0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1n9s s TYR 38 Cb -0.09 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1n9s s TYR 38 CO -0.06 0.17 -0.20 1.03 -1.11 0.00 0.00 175.55 175.38 1n9s s ARG 39 N 0.32 1.88 0.00 -0.62 0.52 -0.00 -0.82 118.95 120.23 1n9s s ARG 39 Ca 0.03 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 1n9s s ARG 39 Cb -0.12 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1n9s s ARG 39 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1n9s n GLY 40 N 1.27 -2.13 3.58 -3.53 0.00 -0.61 -0.46 105.19 103.31 1n9s n GLY 40 Ca -0.16 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.18 4.78 -0.53 2.61 2.01 -0.80 -0.05 115.64 121.48 1n9s s THR 41 Ca 0.00 0.81 -0.27 0.00 0.31 0.00 0.00 61.69 62.54 1n9s s THR 41 Cb 0.00 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1n9s s THR 41 CO 0.00 -0.39 1.69 -0.22 -0.69 0.00 0.00 174.62 175.01 1n9s s LEU 42 N 2.98 3.38 -0.01 4.42 2.96 -0.23 -1.15 118.68 131.04 1n9s s LEU 42 Ca 0.29 0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 54.50 1n9s s LEU 42 Cb -0.14 -2.93 -0.19 0.00 0.50 0.00 0.00 46.19 43.43 1n9s s LEU 42 CO 0.16 -1.99 1.25 0.58 -1.32 0.00 0.00 176.35 175.03 1n9s h VAL 43 N 6.69 1.40 -3.53 1.68 2.07 -1.71 0.18 116.25 123.03 1n9s h VAL 43 Ca -0.28 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 1n9s h VAL 43 Cb 1.14 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 33.02 1n9s h VAL 43 CO 1.16 0.36 0.00 -0.94 0.02 0.00 0.00 177.57 178.18 1n9s s SER 44 N -5.93 0.14 0.06 0.57 1.04 -1.24 -4.54 113.70 103.80 1n9s s SER 44 Ca -0.15 -1.06 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 1n9s s SER 44 Cb 0.03 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.86 1n9s s SER 44 CO 0.71 -1.33 0.38 0.41 0.98 0.00 0.00 173.24 174.39 1n9s n THR 45 N -0.47 0.00 -3.50 2.02 -1.04 -1.26 -2.53 114.28 107.51 1n9s n THR 45 Ca -0.03 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 1n9s n THR 45 Cb 0.61 0.27 -0.04 0.00 -1.82 0.00 0.00 70.33 69.35 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 -1.89 -0.52 0.15 8.00 -4.77 -1.22 -4.97 116.67 111.46 1n9s s ASP 46 Ca 0.08 0.30 -0.07 0.00 -3.30 0.00 0.00 52.55 49.56 1n9s s ASP 46 Cb -0.01 0.48 0.22 0.00 -1.09 0.00 0.00 42.92 42.53 1n9s s ASP 46 CO 0.02 -0.68 0.92 0.59 0.70 0.00 0.00 175.17 176.72 1n9s n ASN 47 N 0.24 -0.28 0.00 2.11 3.02 -1.26 0.12 115.26 119.22 1n9s n ASN 47 Ca -0.15 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.42 1n9s n ASN 47 Cb 0.61 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1n9s n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9s n TYR 48 N -4.92 0.00 -1.11 3.10 4.02 -1.26 -4.69 117.16 112.29 1n9s n TYR 48 Ca 0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1n9s n TYR 48 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.57 1n9s n TYR 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1n9s n PHE 49 N -0.67 0.00 -2.93 -0.72 3.01 0.33 -4.44 117.46 112.04 1n9s n PHE 49 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1n9s n PHE 49 Cb 0.00 -1.75 -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 -2.22 6.82 0.17 4.37 0.01 -1.23 -3.80 114.94 119.07 1n9s s ASN 50 Ca 0.00 1.01 0.09 0.00 -0.71 0.00 0.00 52.86 53.25 1n9s s ASN 50 Cb 0.00 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 1n9s s ASN 50 CO 0.00 -0.45 -0.19 -1.48 -1.51 0.00 0.00 177.10 173.47 1n9s s LEU 51 N 2.57 2.44 -0.14 0.60 0.05 -0.94 -3.39 118.68 119.86 1n9s s LEU 51 Ca 0.34 -0.87 -0.01 0.00 0.05 0.00 0.00 54.13 53.64 1n9s s LEU 51 Cb -0.16 -0.85 -0.02 0.00 -2.05 0.00 0.00 46.19 43.11 1n9s s LEU 51 CO 0.09 -0.02 -0.10 -1.58 -0.55 0.00 0.00 176.35 174.19 1n9s s GLN 52 N -2.81 3.47 0.12 1.48 0.74 -1.05 0.72 119.66 122.34 1n9s s GLN 52 Ca 0.16 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 55.02 1n9s s GLN 52 Cb -0.06 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.27 1n9s s GLN 52 CO 0.07 0.20 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.73 1n9s s LEU 53 N 0.42 2.99 -0.05 3.68 2.96 0.62 -1.89 118.68 127.42 1n9s s LEU 53 Ca -0.08 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1n9s s LEU 53 Cb -0.15 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1n9s s LEU 53 CO 0.04 0.16 -0.22 0.21 -1.32 0.00 0.00 176.35 175.22 1n9s s ASN 54 N -2.33 3.35 -1.28 3.68 3.84 -0.30 -2.19 114.94 119.71 1n9s s ASN 54 Ca 0.22 -0.41 -0.02 0.00 0.21 0.00 0.00 52.86 52.85 1n9s s ASN 54 Cb -0.11 -0.75 0.01 0.00 -0.55 0.00 0.00 41.25 39.86 1n9s s ASN 54 CO 0.14 0.28 0.93 -0.62 -2.79 0.00 0.00 177.10 175.05 1n9s n GLU 55 N 2.69 -6.22 -2.09 0.43 1.02 -1.23 -1.90 120.64 113.34 1n9s n GLU 55 Ca -0.17 0.76 -0.41 0.00 -0.02 0.00 0.00 57.16 57.32 1n9s n GLU 55 Cb 0.52 -5.63 -0.02 0.00 -0.02 0.00 0.00 31.44 26.28 1n9s n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9s s ALA 56 N -3.44 3.51 -0.07 0.62 0.00 -1.09 -4.51 121.76 116.78 1n9s s ALA 56 Ca 0.14 1.28 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 1n9s s ALA 56 Cb -0.06 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1n9s s ALA 56 CO 0.76 -0.67 -0.03 -2.00 0.00 0.00 0.00 175.76 173.83 1n9s s GLU 57 N -1.64 0.83 0.07 0.00 2.12 0.39 -1.79 118.70 118.67 1n9s s GLU 57 Ca 0.50 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 1n9s s GLU 57 Cb -0.40 -1.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.93 1n9s s GLU 57 CO 0.52 -0.21 1.07 -2.00 -0.54 0.00 0.00 175.26 174.11 1n9s s GLU 58 N 1.51 4.54 -0.17 4.30 2.12 -0.81 -0.82 118.70 129.37 1n9s s GLU 58 Ca -0.01 1.60 0.00 0.00 0.36 0.00 0.00 54.97 56.92 1n9s s GLU 58 Cb -0.13 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 30.91 1n9s s GLU 58 CO -0.03 -0.07 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.45 1n9s s PHE 59 N 0.68 2.16 -0.37 5.30 0.40 0.50 -0.64 117.98 126.01 1n9s s PHE 59 Ca 0.53 -1.33 -0.08 0.00 -0.60 0.00 0.00 56.93 55.45 1n9s s PHE 59 Cb -0.26 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 41.78 1n9s s PHE 59 CO 0.30 -0.68 0.18 0.08 0.70 0.00 0.00 175.22 175.79 1n9s s VAL 60 N 1.48 4.04 -0.78 -0.44 1.01 -1.02 -0.76 120.40 123.94 1n9s s VAL 60 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1n9s s VAL 60 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1n9s s VAL 60 CO -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 175.10 174.70 1n9s n ALA 61 N 4.87 -0.11 -0.25 5.51 0.00 -0.01 -1.89 120.51 128.62 1n9s n ALA 61 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1n9s n ALA 61 Cb 0.44 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.80 0.85 3.07 0.00 0.00 -1.26 -5.07 105.19 101.97 1n9s n GLY 62 Ca -0.07 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 1.69 0.10 1.61 1.01 -0.79 -5.07 120.40 116.95 1n9s s VAL 63 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 61.98 60.93 1n9s s VAL 63 Cb 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 36.38 34.72 1n9s s VAL 63 CO 0.00 0.48 1.78 -0.24 0.00 0.00 0.00 175.10 177.11 1n9s n SER 64 N 4.46 3.71 -2.00 3.32 2.88 -1.26 -2.43 113.62 122.30 1n9s n SER 64 Ca -0.19 1.01 -0.25 0.00 -1.33 0.00 0.00 58.87 58.12 1n9s n SER 64 Cb 0.51 -1.49 0.10 0.00 -0.75 0.00 0.00 64.21 62.57 1n9s n SER 64 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1n9s n HIS 65 N 5.15 2.65 0.00 0.66 8.25 0.19 -4.94 115.22 127.19 1n9s n HIS 65 Ca 0.18 -2.39 0.00 0.00 -0.26 0.00 0.00 57.72 55.25 1n9s n HIS 65 Cb 0.34 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.56 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 -0.92 0.23 3.22 -1.41 0.00 -1.26 -4.78 105.19 100.26 1n9s n GLY 66 Ca 0.51 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.11 2.19 0.11 2.61 2.01 -1.26 -1.92 115.64 118.27 1n9s s THR 67 Ca 0.00 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1n9s s THR 67 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1n9s s THR 67 CO 0.00 0.55 0.25 -0.76 -0.69 0.00 0.00 174.62 173.96 1n9s s LEU 68 N 0.57 4.33 0.00 4.42 1.43 -0.74 -5.00 118.68 123.68 1n9s s LEU 68 Ca -0.13 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1n9s s LEU 68 Cb -0.17 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1n9s s LEU 68 CO 0.04 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1n9s n GLY 69 N -0.17 -3.01 3.71 -3.19 0.00 -1.26 -2.72 105.19 98.54 1n9s n GLY 69 Ca -0.06 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 4.31 0.21 1.61 0.41 -1.26 -2.68 118.70 121.30 1n9s s GLU 70 Ca 0.00 0.47 0.10 0.00 -0.41 0.00 0.00 54.97 55.13 1n9s s GLU 70 Cb 0.00 -3.46 -0.05 0.00 -1.78 0.00 0.00 34.13 28.84 1n9s s GLU 70 CO 0.00 0.09 -0.20 0.96 -0.49 0.00 0.00 175.26 175.62 1n9s s ILE 71 N 0.85 2.16 -0.13 -1.63 -4.36 -0.93 -4.95 121.20 112.21 1n9s s ILE 71 Ca 0.26 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 1n9s s ILE 71 Cb -0.15 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1n9s s ILE 71 CO 0.10 -0.33 -0.14 -0.36 0.24 0.00 0.00 174.94 174.45 1n9s s PHE 72 N -2.23 2.07 -0.04 1.37 0.40 -1.26 -0.28 117.98 118.01 1n9s s PHE 72 Ca 0.23 -1.10 -0.02 0.00 -0.60 0.00 0.00 56.93 55.43 1n9s s PHE 72 Cb -0.05 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1n9s s PHE 72 CO 0.10 -0.60 0.09 0.42 0.70 0.00 0.00 175.22 175.92 1n9s s ILE 73 N 1.34 4.84 -0.17 0.64 1.01 0.22 -4.97 121.20 124.12 1n9s s ILE 73 Ca 0.01 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1n9s s ILE 73 Cb -0.13 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1n9s s ILE 73 CO -0.08 0.44 0.32 -0.13 0.00 0.00 0.00 174.94 175.49 1n9s s ARG 74 N -1.48 4.23 0.14 2.79 1.81 -1.26 -2.22 118.95 122.97 1n9s s ARG 74 Ca 0.20 0.12 -0.22 0.00 -1.72 0.00 0.00 55.73 54.11 1n9s s ARG 74 Cb -0.12 -3.46 0.01 0.00 -0.45 0.00 0.00 34.95 30.93 1n9s s ARG 74 CO 0.10 0.16 1.23 -1.13 -0.68 0.00 0.00 175.30 174.99 1n9s n SER 75 N 3.84 -0.76 -0.39 0.23 3.41 -1.25 -2.46 113.62 116.24 1n9s n SER 75 Ca -0.11 1.42 0.34 0.00 -0.26 0.00 0.00 58.87 60.25 1n9s n SER 75 Cb 0.52 -0.22 0.57 0.00 -0.26 0.00 0.00 64.21 64.82 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 -5.05 0.19 -0.13 4.04 5.03 -1.26 0.12 115.26 118.20 1n9s n ASN 76 Ca 0.03 1.21 0.15 0.00 0.87 0.00 0.00 54.58 56.84 1n9s n ASN 76 Cb 0.24 -0.59 0.71 0.00 -1.02 0.00 0.00 39.78 39.11 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 -4.46 0.47 -4.73 6.41 3.02 -1.03 -4.89 115.26 110.05 1n9s n ASN 77 Ca 0.34 -0.82 -0.38 0.00 -0.03 0.00 0.00 54.58 53.70 1n9s n ASN 77 Cb 1.32 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 40.37 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 -2.27 5.16 -0.07 2.41 1.01 0.32 -1.29 120.40 125.67 1n9s s VAL 78 Ca 0.36 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.29 1n9s s VAL 78 Cb 0.21 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1n9s s VAL 78 CO 0.42 0.34 -0.07 0.25 0.00 0.00 0.00 175.10 176.04 1n9s h LEU 79 N 6.55 0.00 -8.28 3.92 5.85 0.06 -3.44 115.31 119.96 1n9s h LEU 79 Ca -0.42 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 1n9s h LEU 79 Cb 1.18 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1n9s h LEU 79 CO 0.74 0.39 -0.13 -0.72 -0.34 0.00 0.00 178.44 178.39 1n9s s TYR 80 N -1.60 0.47 -0.05 1.25 -0.85 -1.12 -5.01 117.35 110.44 1n9s s TYR 80 Ca -0.06 -0.83 0.03 0.00 -0.52 0.00 0.00 57.07 55.69 1n9s s TYR 80 Cb 0.01 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.51 1n9s s TYR 80 CO 0.09 -1.03 -0.11 0.42 -1.52 0.00 0.00 175.55 173.40 1n9s s ILE 81 N -3.81 1.03 0.34 -3.49 1.01 -1.26 -1.68 121.20 113.34 1n9s s ILE 81 Ca 0.24 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1n9s s ILE 81 Cb -0.01 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.47 1n9s s ILE 81 CO 0.11 0.32 -0.04 0.00 0.00 0.00 0.00 174.94 175.33 1n9s s ARG 82 N 0.44 1.76 -0.26 2.79 1.70 -0.32 -4.95 118.95 120.11 1n9s s ARG 82 Ca -0.09 -1.93 -0.14 0.00 -0.47 0.00 0.00 55.73 53.10 1n9s s ARG 82 Cb -0.13 -1.43 -0.04 0.00 -0.57 0.00 0.00 34.95 32.78 1n9s s ARG 82 CO 0.02 0.02 0.31 -2.00 -1.08 0.00 0.00 175.30 172.57 1n9s s GLU 83 N -3.70 4.03 -0.01 3.89 2.12 -1.26 0.53 118.70 124.30 1n9s s GLU 83 Ca 0.33 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1n9s s GLU 83 Cb 0.05 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1n9s s GLU 83 CO 0.15 -0.18 1.14 -0.51 -0.54 0.00 0.00 175.26 175.33 1n9s s LEU 84 N 1.76 4.32 -1.11 2.70 1.43 -0.34 -4.90 118.68 122.54 1n9s s LEU 84 Ca 0.13 1.84 -0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1n9s s LEU 84 Cb -0.15 -3.57 0.28 0.00 0.03 0.00 0.00 46.19 42.78 1n9s s LEU 84 CO 0.09 -0.47 1.37 -0.81 0.23 0.00 0.00 176.35 176.75 1n9s n PRO 85 N 4.50 4.03 0.00 1.29 -0.04 -1.26 -4.76 135.00 138.76 1n9s n PRO 85 Ca 0.09 -4.43 0.00 0.00 -0.04 0.00 0.00 63.50 59.12 1n9s n PRO 85 Cb 0.47 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73