#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s h PHE 18 N 0.00 -0.13 -0.48 6.00 3.57 -1.92 -2.41 116.94 121.57 1n9s h PHE 18 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1n9s h PHE 18 Cb 0.00 0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1n9s h PHE 18 CO 0.00 -0.38 0.00 1.28 -2.23 0.00 0.00 178.31 176.98 1n9s n LEU 19 N -5.47 3.49 0.31 0.59 4.77 -1.26 -4.63 117.00 114.80 1n9s n LEU 19 Ca 0.19 -1.69 0.04 0.00 -0.03 0.00 0.00 56.01 54.52 1n9s n LEU 19 Cb 0.64 -0.31 0.20 0.00 -2.33 0.00 0.00 43.42 41.62 1n9s n LEU 19 CO -0.04 0.80 1.01 0.50 -1.33 0.00 0.00 177.39 178.33 1n9s h LYS 20 N 4.02 0.00 0.00 3.23 3.64 -1.85 0.21 116.57 125.82 1n9s h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n9s h LYS 20 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1n9s h LYS 20 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1n9s n GLY 21 N -1.41 -0.60 0.20 5.01 0.00 -1.26 -2.95 105.19 104.17 1n9s n GLY 21 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.99 1.15 -4.69 0.99 4.77 0.75 -4.96 117.00 114.01 1n9s n LEU 22 Ca 0.14 -0.80 -0.36 0.00 -0.03 0.00 0.00 56.01 54.96 1n9s n LEU 22 Cb 0.07 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1n9s n LEU 22 CO 0.11 0.24 0.79 0.52 -1.33 0.00 0.00 177.39 177.72 1n9s n VAL 23 N -0.20 4.08 -1.22 4.08 0.31 -1.15 -1.36 118.33 122.87 1n9s n VAL 23 Ca 0.03 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 1n9s n VAL 23 Cb 0.17 -1.36 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 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 -1.99 -4.29 -4.79 4.52 3.02 -0.49 -4.92 115.26 106.33 1n9s n ASN 24 Ca 0.15 0.26 -0.24 0.00 -0.03 0.00 0.00 54.58 54.72 1n9s n ASN 24 Cb 0.49 -3.45 -0.05 0.00 -0.61 0.00 0.00 39.78 36.15 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 -1.80 3.07 -0.18 3.10 3.76 -0.47 -4.87 115.29 117.90 1n9s s HIS 25 Ca 0.00 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.57 1n9s s HIS 25 Cb 0.00 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.26 1n9s s HIS 25 CO 0.00 0.53 0.84 0.50 -0.85 0.00 0.00 174.74 175.76 1n9s s ARG 26 N -3.49 4.28 0.48 1.40 3.52 -1.26 -0.42 118.95 123.46 1n9s s ARG 26 Ca 0.32 1.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.95 1n9s s ARG 26 Cb -0.09 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1n9s s ARG 26 CO 0.23 -0.36 0.04 0.14 -0.81 0.00 0.00 175.30 174.54 1n9s s VAL 27 N 2.28 0.96 -0.16 7.11 -7.23 0.90 -0.34 120.40 123.91 1n9s s VAL 27 Ca 0.38 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1n9s s VAL 27 Cb -0.16 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1n9s s VAL 27 CO 0.11 0.00 -0.04 -0.83 -0.31 0.00 0.00 175.10 174.03 1n9s s GLY 28 N -3.80 0.91 -0.33 2.32 0.00 0.39 -2.85 107.32 103.95 1n9s s GLY 28 Ca 0.10 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.94 1n9s s GLY 28 CO 0.06 0.98 0.19 0.14 0.00 0.00 0.00 173.10 174.47 1n9s s VAL 29 N 1.67 4.80 -0.22 1.40 1.01 0.34 -1.51 120.40 127.89 1n9s s VAL 29 Ca 0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 1n9s s VAL 29 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1n9s s VAL 29 CO -0.08 -0.01 0.04 -0.75 0.00 0.00 0.00 175.10 174.31 1n9s s LYS 30 N 1.64 3.70 0.52 2.72 2.47 0.42 0.11 119.74 131.32 1n9s s LYS 30 Ca 0.05 -0.47 -0.07 0.00 -1.56 0.00 0.00 55.97 53.92 1n9s s LYS 30 Cb -0.18 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 1n9s s LYS 30 CO 0.08 -0.02 0.86 -0.51 0.16 0.00 0.00 175.35 175.91 1n9s s LEU 31 N 1.14 3.51 0.08 5.43 1.43 -0.98 -0.02 118.68 129.28 1n9s s LEU 31 Ca 0.04 1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 54.03 1n9s s LEU 31 Cb -0.14 -4.06 -0.08 0.00 0.03 0.00 0.00 46.19 41.94 1n9s s LEU 31 CO 0.03 -0.66 1.51 0.11 0.23 0.00 0.00 176.35 177.57 1n9s h LYS 32 N 0.07 0.44 -6.53 1.70 1.57 -1.71 -3.41 116.57 108.71 1n9s h LYS 32 Ca -0.46 -0.14 -0.52 0.00 -1.87 0.00 0.00 60.65 57.65 1n9s h LYS 32 Cb 1.20 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1n9s h LYS 32 CO 0.62 0.62 -0.05 -0.59 -0.57 0.00 0.00 179.45 179.48 1n9s s PHE 33 N -4.95 3.41 0.00 -1.35 -0.12 -1.26 -4.95 117.98 108.76 1n9s s PHE 33 Ca -0.14 0.96 0.00 0.00 -0.05 0.00 0.00 56.93 57.71 1n9s s PHE 33 Cb 0.07 -2.33 0.00 0.00 -0.63 0.00 0.00 43.02 40.13 1n9s s PHE 33 CO 0.75 0.21 0.00 0.09 -0.05 0.00 0.00 175.22 176.22 1n9s n ASN 34 N -0.26 -1.34 -3.04 1.98 3.02 -1.26 -4.30 115.26 110.07 1n9s n ASN 34 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.36 1n9s n ASN 34 Cb 0.53 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.04 2.08 -4.75 6.41 3.41 -1.26 -5.01 113.62 112.45 1n9s n SER 35 Ca 0.00 -3.20 -0.32 0.00 -0.26 0.00 0.00 58.87 55.09 1n9s n SER 35 Cb 0.00 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.29 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 -3.21 4.50 -0.10 6.66 2.01 -1.26 -0.51 115.64 123.73 1n9s s THR 36 Ca 0.42 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1n9s s THR 36 Cb 0.34 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.80 1n9s s THR 36 CO -0.09 0.27 0.26 -0.70 -0.69 0.00 0.00 174.62 173.66 1n9s s GLU 37 N -1.95 0.25 -0.16 4.92 2.12 0.44 -2.33 118.70 121.99 1n9s s GLU 37 Ca 0.24 0.47 -0.10 0.00 0.36 0.00 0.00 54.97 55.94 1n9s s GLU 37 Cb -0.12 -0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 1n9s s GLU 37 CO 0.16 -0.11 0.18 0.71 -0.54 0.00 0.00 175.26 175.66 1n9s s TYR 38 N 0.78 3.50 -0.04 5.30 1.51 0.12 0.59 117.35 129.10 1n9s s TYR 38 Ca -0.05 0.48 0.07 0.00 -1.01 0.00 0.00 57.07 56.55 1n9s s TYR 38 Cb -0.07 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1n9s s TYR 38 CO -0.05 0.45 -0.25 1.03 -1.11 0.00 0.00 175.55 175.61 1n9s s ARG 39 N -0.15 2.36 0.00 -0.62 0.52 0.76 0.13 118.95 121.95 1n9s s ARG 39 Ca 0.13 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1n9s s ARG 39 Cb -0.12 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1n9s s ARG 39 CO 0.02 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1n9s n GLY 40 N 2.75 -1.21 3.79 -3.53 0.00 -1.13 0.18 105.19 106.03 1n9s n GLY 40 Ca -0.17 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.62 5.11 -0.87 2.61 2.01 -0.07 -0.07 115.64 121.75 1n9s s THR 41 Ca 0.00 0.82 -0.18 0.00 0.31 0.00 0.00 61.69 62.64 1n9s s THR 41 Cb 0.00 -3.72 0.15 0.00 0.01 0.00 0.00 72.50 68.93 1n9s s THR 41 CO 0.00 0.49 1.01 -0.22 -0.69 0.00 0.00 174.62 175.21 1n9s s LEU 42 N -0.41 5.42 0.05 4.42 2.96 0.44 -0.26 118.68 131.31 1n9s s LEU 42 Ca 0.23 -2.09 -0.26 0.00 -0.22 0.00 0.00 54.13 51.79 1n9s s LEU 42 Cb -0.16 -2.35 -0.13 0.00 0.50 0.00 0.00 46.19 44.05 1n9s s LEU 42 CO 0.11 -0.98 1.39 0.58 -1.32 0.00 0.00 176.35 176.13 1n9s h VAL 43 N 5.61 0.00 -4.51 1.68 2.07 -1.69 -1.29 116.25 118.13 1n9s h VAL 43 Ca 0.09 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 67.22 1n9s h VAL 43 Cb 1.03 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1n9s h VAL 43 CO 1.03 0.00 -0.32 -0.94 0.02 0.00 0.00 177.57 177.36 1n9s s SER 44 N -3.59 1.40 -0.18 0.57 1.04 -1.19 -4.50 113.70 107.25 1n9s s SER 44 Ca -0.13 -1.66 -0.33 0.00 0.48 0.00 0.00 55.95 54.31 1n9s s SER 44 Cb 0.02 0.63 0.14 0.00 0.10 0.00 0.00 66.02 66.92 1n9s s SER 44 CO 0.42 -1.22 1.16 -0.89 0.98 0.00 0.00 173.24 173.69 1n9s s THR 45 N -3.13 0.00 0.51 2.02 2.01 -1.26 -2.10 115.64 113.69 1n9s s THR 45 Ca 0.36 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1n9s s THR 45 Cb 0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1n9s s THR 45 CO 0.25 0.00 0.03 1.51 -0.69 0.00 0.00 174.62 175.72 1n9s s ASP 46 N -1.84 3.94 0.48 3.53 -4.77 -1.14 -5.01 116.67 111.84 1n9s s ASP 46 Ca 0.07 -1.70 0.17 0.00 -3.30 0.00 0.00 52.55 47.79 1n9s s ASP 46 Cb -0.01 0.64 1.15 0.00 -1.09 0.00 0.00 42.92 43.61 1n9s s ASP 46 CO -0.05 -0.92 2.04 0.78 0.70 0.00 0.00 175.17 177.72 1n9s h ASN 47 N 1.37 0.00 0.00 2.11 2.35 -1.98 -2.37 115.58 117.06 1n9s h ASN 47 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1n9s h ASN 47 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1n9s h ASN 47 CO 0.70 0.13 0.00 -1.22 -1.65 0.00 0.00 177.43 175.39 1n9s n TYR 48 N -4.25 0.00 -0.89 1.19 4.02 -1.26 -4.81 117.16 111.16 1n9s n TYR 48 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1n9s n TYR 48 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 -0.66 0.00 -2.30 -0.72 3.01 -0.89 -4.46 117.46 111.44 1n9s n PHE 49 Ca 0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.07 1n9s n PHE 49 Cb 0.01 -1.49 -0.03 0.00 -0.01 0.00 0.00 39.48 37.96 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 -2.05 7.00 0.01 4.37 0.01 -1.26 -3.94 114.94 119.07 1n9s s ASN 50 Ca 0.00 2.32 -0.02 0.00 -0.71 0.00 0.00 52.86 54.45 1n9s s ASN 50 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1n9s s ASN 50 CO 0.00 -0.44 0.03 -1.48 -1.51 0.00 0.00 177.10 173.70 1n9s s LEU 51 N -0.23 1.97 -0.23 0.60 0.05 -1.10 -2.89 118.68 116.85 1n9s s LEU 51 Ca 0.54 -0.28 -0.09 0.00 0.05 0.00 0.00 54.13 54.35 1n9s s LEU 51 Cb -0.34 0.25 -0.05 0.00 -2.05 0.00 0.00 46.19 44.00 1n9s s LEU 51 CO 0.38 -0.25 0.13 -1.58 -0.55 0.00 0.00 176.35 174.48 1n9s s GLN 52 N -1.08 3.99 -0.07 1.48 0.74 -0.89 -0.71 119.66 123.13 1n9s s GLN 52 Ca -0.12 -0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.03 1n9s s GLN 52 Cb -0.07 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 1n9s s GLN 52 CO -0.00 0.08 -0.24 -1.17 -0.55 0.00 0.00 175.29 173.40 1n9s s LEU 53 N 0.97 2.09 0.10 3.68 2.96 0.70 -1.83 118.68 127.36 1n9s s LEU 53 Ca 0.06 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1n9s s LEU 53 Cb -0.13 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1n9s s LEU 53 CO 0.03 0.23 -0.13 0.21 -1.32 0.00 0.00 176.35 175.37 1n9s s ASN 54 N -0.05 4.22 -1.53 3.68 3.84 0.64 -0.17 114.94 125.57 1n9s s ASN 54 Ca -0.07 -0.43 -0.14 0.00 0.21 0.00 0.00 52.86 52.43 1n9s s ASN 54 Cb -0.15 -0.74 0.09 0.00 -0.55 0.00 0.00 41.25 39.90 1n9s s ASN 54 CO 0.05 0.18 0.91 -0.62 -2.79 0.00 0.00 177.10 174.83 1n9s n GLU 55 N 0.80 -5.08 -1.58 0.43 1.02 -1.19 -0.89 120.64 114.14 1n9s n GLU 55 Ca -0.14 0.57 -0.46 0.00 -0.02 0.00 0.00 57.16 57.11 1n9s n GLU 55 Cb 0.52 -5.44 -0.02 0.00 -0.02 0.00 0.00 31.44 26.48 1n9s n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9s n ALA 56 N -4.51 -0.42 -3.73 0.62 0.00 -0.84 -4.53 120.51 107.10 1n9s n ALA 56 Ca 0.04 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.68 1n9s n ALA 56 Cb 0.52 -2.02 -0.17 0.00 0.00 0.00 0.00 19.45 17.79 1n9s n ALA 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n9s s GLU 57 N -1.14 0.72 -0.03 0.00 2.12 0.47 -2.26 118.70 118.58 1n9s s GLU 57 Ca 0.63 0.01 -0.27 0.00 0.36 0.00 0.00 54.97 55.71 1n9s s GLU 57 Cb -0.75 -0.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 1n9s s GLU 57 CO 0.57 -0.22 0.85 -2.00 -0.54 0.00 0.00 175.26 173.92 1n9s s GLU 58 N 1.55 4.50 -0.02 4.30 2.12 -1.09 -0.17 118.70 129.88 1n9s s GLU 58 Ca -0.01 1.16 0.05 0.00 0.36 0.00 0.00 54.97 56.53 1n9s s GLU 58 Cb -0.13 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 1n9s s GLU 58 CO -0.03 0.01 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.46 1n9s s PHE 59 N 0.88 1.63 -0.15 5.30 0.40 0.20 -1.10 117.98 125.14 1n9s s PHE 59 Ca 0.45 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1n9s s PHE 59 Cb -0.19 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.29 1n9s s PHE 59 CO 0.23 -0.07 -0.14 0.08 0.70 0.00 0.00 175.22 176.02 1n9s s VAL 60 N -0.26 1.57 -1.41 -0.44 1.01 0.19 -0.42 120.40 120.63 1n9s s VAL 60 Ca 0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1n9s s VAL 60 Cb -0.08 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.89 1n9s s VAL 60 CO 0.00 0.46 0.63 0.00 0.00 0.00 0.00 175.10 176.19 1n9s n ALA 61 N 4.74 -1.10 -1.88 5.51 0.00 0.33 0.21 120.51 128.32 1n9s n ALA 61 Ca -0.17 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1n9s n ALA 61 Cb 0.50 -3.41 -0.02 0.00 0.00 0.00 0.00 19.45 16.53 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 -1.36 0.36 3.14 0.00 0.00 -1.26 -5.02 105.19 101.04 1n9s n GLY 62 Ca -0.02 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.44 1.40 0.04 1.61 1.01 0.13 -5.09 120.40 117.06 1n9s s VAL 63 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1n9s s VAL 63 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1n9s s VAL 63 CO 0.00 0.40 0.96 -0.55 0.00 0.00 0.00 175.10 175.91 1n9s s SER 64 N -0.10 7.41 -0.32 3.32 0.15 -1.26 0.56 113.70 123.45 1n9s s SER 64 Ca -0.00 1.69 0.08 0.00 0.70 0.00 0.00 55.95 58.42 1n9s s SER 64 Cb -0.10 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.13 1n9s s SER 64 CO 0.01 -0.18 1.46 1.41 1.20 0.00 0.00 173.24 177.14 1n9s n HIS 65 N 3.46 1.41 0.00 3.44 8.25 -0.26 -4.94 115.22 126.58 1n9s n HIS 65 Ca 0.04 -1.79 0.00 0.00 -0.26 0.00 0.00 57.72 55.71 1n9s n HIS 65 Cb 0.50 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.06 -0.90 3.12 -1.41 0.00 -1.26 -4.88 105.19 98.80 1n9s n GLY 66 Ca 0.36 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.90 2.05 0.11 2.61 2.01 -1.26 -2.68 115.64 117.57 1n9s s THR 67 Ca 0.00 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1n9s s THR 67 Cb 0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1n9s s THR 67 CO 0.00 0.54 0.19 -0.76 -0.69 0.00 0.00 174.62 173.90 1n9s s LEU 68 N 1.29 4.13 0.00 4.42 1.43 -0.96 -5.03 118.68 123.96 1n9s s LEU 68 Ca 0.05 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1n9s s LEU 68 Cb -0.13 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1n9s s LEU 68 CO -0.13 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1n9s n GLY 69 N -0.03 -2.59 3.73 -3.19 0.00 -1.26 -2.94 105.19 98.91 1n9s n GLY 69 Ca -0.07 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 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 4.40 0.08 1.61 0.41 -1.26 -1.99 118.70 121.95 1n9s s GLU 70 Ca 0.00 0.80 0.07 0.00 -0.41 0.00 0.00 54.97 55.43 1n9s s GLU 70 Cb 0.00 -3.41 -0.03 0.00 -1.78 0.00 0.00 34.13 28.91 1n9s s GLU 70 CO 0.00 0.18 -0.19 0.96 -0.49 0.00 0.00 175.26 175.72 1n9s s ILE 71 N 0.43 1.56 -0.26 -1.63 -4.36 0.77 -4.96 121.20 112.75 1n9s s ILE 71 Ca 0.34 -1.41 -0.02 0.00 -0.26 0.00 0.00 60.65 59.30 1n9s s ILE 71 Cb -0.18 -1.42 0.03 0.00 1.25 0.00 0.00 42.46 42.14 1n9s s ILE 71 CO 0.17 -0.04 -0.04 -0.36 0.24 0.00 0.00 174.94 174.91 1n9s s PHE 72 N -1.10 3.12 0.16 1.37 0.40 -1.26 -0.21 117.98 120.45 1n9s s PHE 72 Ca 0.05 -1.60 0.01 0.00 -0.60 0.00 0.00 56.93 54.80 1n9s s PHE 72 Cb -0.10 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 1n9s s PHE 72 CO 0.03 -0.74 0.31 0.42 0.70 0.00 0.00 175.22 175.94 1n9s s ILE 73 N 1.32 5.30 -0.21 0.64 1.01 0.11 -4.98 121.20 124.38 1n9s s ILE 73 Ca -0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 1n9s s ILE 73 Cb -0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1n9s s ILE 73 CO -0.03 -0.10 0.10 -0.13 0.00 0.00 0.00 174.94 174.78 1n9s s ARG 74 N -3.21 3.97 0.16 2.79 1.81 -1.26 -2.72 118.95 120.49 1n9s s ARG 74 Ca 0.36 -0.33 -0.31 0.00 -1.72 0.00 0.00 55.73 53.73 1n9s s ARG 74 Cb -0.11 -3.36 -0.06 0.00 -0.45 0.00 0.00 34.95 30.96 1n9s s ARG 74 CO 0.29 0.13 1.54 0.77 -0.68 0.00 0.00 175.30 177.34 1n9s h SER 75 N 7.23 -2.09 -0.68 0.23 0.02 -1.78 -0.87 113.55 115.61 1n9s h SER 75 Ca -0.38 0.32 0.28 0.00 -0.84 0.00 0.00 61.79 61.18 1n9s h SER 75 Cb 1.17 0.92 -0.12 0.00 0.14 0.00 0.00 62.40 64.51 1n9s h SER 75 CO 0.67 -0.26 0.37 0.59 -1.14 0.00 0.00 176.83 177.06 1n9s n ASN 76 N -5.28 0.23 -0.21 3.07 5.03 -1.26 0.12 115.26 116.96 1n9s n ASN 76 Ca 0.02 1.12 0.15 0.00 0.87 0.00 0.00 54.58 56.73 1n9s n ASN 76 Cb 0.28 -0.54 0.74 0.00 -1.02 0.00 0.00 39.78 39.23 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 -4.51 0.68 -4.68 6.41 3.02 -0.33 -4.86 115.26 110.99 1n9s n ASN 77 Ca 0.26 -1.18 -0.38 0.00 -0.03 0.00 0.00 54.58 53.25 1n9s n ASN 77 Cb 0.88 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.97 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 -2.04 5.17 -0.15 2.41 1.01 0.32 -2.15 120.40 124.96 1n9s s VAL 78 Ca 0.42 0.86 -0.24 0.00 0.00 0.00 0.00 61.98 63.02 1n9s s VAL 78 Cb 0.21 -3.79 -0.24 0.00 0.00 0.00 0.00 36.38 32.56 1n9s s VAL 78 CO 0.36 0.25 0.54 0.25 0.00 0.00 0.00 175.10 176.50 1n9s h LEU 79 N 7.48 0.08 -7.07 3.92 5.85 -0.67 -3.43 115.31 121.47 1n9s h LEU 79 Ca -0.37 -0.80 0.17 0.00 0.84 0.00 0.00 57.88 57.73 1n9s h LEU 79 Cb 1.16 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.01 1n9s h LEU 79 CO 0.74 1.29 0.60 -0.72 -0.34 0.00 0.00 178.44 180.01 1n9s s TYR 80 N -2.32 -0.25 -0.06 1.25 -0.85 -0.89 -5.00 117.35 109.24 1n9s s TYR 80 Ca -0.22 0.12 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 1n9s s TYR 80 Cb 0.01 0.54 0.01 0.00 0.38 0.00 0.00 41.96 42.90 1n9s s TYR 80 CO 0.67 -0.46 -0.14 0.42 -1.52 0.00 0.00 175.55 174.53 1n9s s ILE 81 N -2.89 1.22 0.06 -3.49 1.01 -1.26 -0.44 121.20 115.42 1n9s s ILE 81 Ca 0.07 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1n9s s ILE 81 Cb -0.01 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1n9s s ILE 81 CO -0.06 0.37 -0.12 0.00 0.00 0.00 0.00 174.94 175.12 1n9s s ARG 82 N 0.41 0.73 -0.55 2.79 1.70 -0.57 -4.93 118.95 118.54 1n9s s ARG 82 Ca -0.10 -0.90 -0.27 0.00 -0.47 0.00 0.00 55.73 53.99 1n9s s ARG 82 Cb -0.14 -0.67 0.03 0.00 -0.57 0.00 0.00 34.95 33.60 1n9s s ARG 82 CO 0.03 0.14 1.11 -2.00 -1.08 0.00 0.00 175.30 173.51 1n9s s GLU 83 N -1.69 3.51 0.65 3.89 2.12 -1.26 0.15 118.70 126.06 1n9s s GLU 83 Ca -0.04 0.19 -0.17 0.00 0.36 0.00 0.00 54.97 55.30 1n9s s GLU 83 Cb -0.10 -4.00 -0.01 0.00 0.26 0.00 0.00 34.13 30.29 1n9s s GLU 83 CO 0.02 -1.56 1.20 -0.51 -0.54 0.00 0.00 175.26 173.87 1n9s s LEU 84 N 4.58 3.51 -0.20 2.70 1.43 0.54 -4.85 118.68 126.39 1n9s s LEU 84 Ca 0.41 2.35 -0.02 0.00 -1.03 0.00 0.00 54.13 55.84 1n9s s LEU 84 Cb -0.09 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.58 1n9s s LEU 84 CO 0.25 -1.85 2.48 -0.81 0.23 0.00 0.00 176.35 176.65 1n9s n PRO 85 N -2.07 1.75 0.00 1.29 -0.04 -1.26 -4.71 135.00 129.96 1n9s n PRO 85 Ca 0.13 -1.21 0.02 0.00 -0.04 0.00 0.00 63.50 62.41 1n9s n PRO 85 Cb 0.50 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73