#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s n ASN 14 N 0.00 1.40 -4.25 4.52 4.13 -1.26 -5.05 115.26 114.75 1n9s n ASN 14 Ca 0.00 0.04 -0.23 0.00 1.68 0.00 0.00 54.58 56.07 1n9s n ASN 14 Cb 0.00 -0.13 -0.13 0.00 -1.54 0.00 0.00 39.78 37.98 1n9s n ASN 14 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1n9s s PRO 15 N -2.53 1.14 0.32 3.52 0.04 -1.26 -5.15 135.00 131.08 1n9s s PRO 15 Ca -0.22 -1.06 -0.05 0.00 0.04 0.00 0.00 61.00 59.71 1n9s s PRO 15 Cb 0.08 -1.32 0.00 0.00 0.04 0.00 0.00 34.50 33.30 1n9s s PRO 15 CO 0.72 0.32 0.48 -1.59 0.04 0.00 0.00 177.00 176.97 1n9s s LYS 16 N -1.66 1.83 -0.19 4.56 -2.85 -1.26 -5.14 119.74 115.04 1n9s s LYS 16 Ca 0.05 -1.64 -0.25 0.00 -1.00 0.00 0.00 55.97 53.14 1n9s s LYS 16 Cb -0.10 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1n9s s LYS 16 CO 0.03 -0.76 0.83 -1.25 0.10 0.00 0.00 175.35 174.30 1n9s s PRO 17 N -3.23 4.26 0.32 1.78 0.04 -1.26 -4.88 135.00 132.03 1n9s s PRO 17 Ca 0.28 0.99 0.25 0.00 0.04 0.00 0.00 61.00 62.56 1n9s s PRO 17 Cb -0.00 -3.60 0.68 0.00 0.04 0.00 0.00 34.50 31.61 1n9s s PRO 17 CO 0.17 -0.39 1.72 0.35 0.04 0.00 0.00 177.00 178.89 1n9s h PHE 18 N 7.45 0.00 -0.69 0.56 3.57 -1.96 -3.15 116.94 122.72 1n9s h PHE 18 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1n9s h PHE 18 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1n9s h PHE 18 CO 0.73 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.09 1n9s n LEU 19 N -2.62 4.25 -0.26 0.59 4.77 -1.26 -4.74 117.00 117.73 1n9s n LEU 19 Ca 0.04 -2.18 0.03 0.00 -0.03 0.00 0.00 56.01 53.87 1n9s n LEU 19 Cb 0.45 -0.52 0.12 0.00 -2.33 0.00 0.00 43.42 41.14 1n9s n LEU 19 CO 0.31 0.91 0.77 0.50 -1.33 0.00 0.00 177.39 178.54 1n9s h LYS 20 N 4.12 0.04 -0.87 3.23 1.63 -1.96 -2.52 116.57 120.23 1n9s h LYS 20 Ca 0.00 -0.00 0.20 0.00 -0.85 0.00 0.00 60.65 59.99 1n9s h LYS 20 Cb 1.17 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.73 1n9s h LYS 20 CO 0.09 0.03 0.58 0.78 -3.45 0.00 0.00 179.45 177.48 1n9s h GLY 21 N 0.04 0.79 0.61 5.01 0.00 -1.88 -2.21 103.07 105.43 1n9s h GLY 21 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1n9s h GLY 21 CO -0.72 0.01 0.00 1.04 0.00 0.00 0.00 176.54 176.87 1n9s n LEU 22 N -4.49 0.00 -4.72 3.11 4.77 -0.95 -4.83 117.00 109.89 1n9s n LEU 22 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1n9s n LEU 22 Cb 0.68 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1n9s n LEU 22 CO 0.31 0.00 1.21 -0.69 -1.33 0.00 0.00 177.39 176.90 1n9s s VAL 23 N -2.00 2.73 0.00 4.08 1.01 -0.84 -1.27 120.40 124.11 1n9s s VAL 23 Ca 0.25 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1n9s s VAL 23 Cb 0.11 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1n9s s VAL 23 CO 0.19 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.92 1n9s n ASN 24 N 4.05 -3.08 -4.93 3.32 3.02 0.15 -4.95 115.26 112.83 1n9s n ASN 24 Ca 0.14 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.40 1n9s n ASN 24 Cb 0.39 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 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 -2.00 3.50 -0.43 3.10 3.76 -0.40 -4.76 115.29 118.06 1n9s s HIS 25 Ca 0.00 0.21 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 1n9s s HIS 25 Cb 0.00 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.97 1n9s s HIS 25 CO 0.00 0.53 1.31 0.50 -0.85 0.00 0.00 174.74 176.23 1n9s s ARG 26 N -2.92 3.64 0.41 1.40 3.52 -1.26 -1.25 118.95 122.49 1n9s s ARG 26 Ca 0.35 0.82 0.06 0.00 -0.13 0.00 0.00 55.73 56.84 1n9s s ARG 26 Cb -0.12 -3.98 -0.07 0.00 -1.56 0.00 0.00 34.95 29.22 1n9s s ARG 26 CO 0.28 -1.48 0.02 0.14 -0.81 0.00 0.00 175.30 173.45 1n9s s VAL 27 N 5.04 1.83 -0.13 7.11 -7.23 0.15 0.39 120.40 127.56 1n9s s VAL 27 Ca 0.56 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1n9s s VAL 27 Cb -0.11 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.92 1n9s s VAL 27 CO 0.32 0.00 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.12 1n9s s GLY 28 N -3.69 1.12 -0.30 2.32 0.00 0.20 -1.43 107.32 105.54 1n9s s GLY 28 Ca 0.33 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1n9s s GLY 28 CO 0.17 0.32 0.09 0.14 0.00 0.00 0.00 173.10 173.81 1n9s s VAL 29 N 1.17 4.03 -0.13 1.40 1.01 0.12 -0.77 120.40 127.23 1n9s s VAL 29 Ca -0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1n9s s VAL 29 Cb -0.14 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1n9s s VAL 29 CO -0.05 0.08 0.08 -0.75 0.00 0.00 0.00 175.10 174.45 1n9s s LYS 30 N 1.51 3.44 0.61 2.72 2.47 -0.04 -0.01 119.74 130.44 1n9s s LYS 30 Ca 0.03 -0.27 -0.04 0.00 -1.56 0.00 0.00 55.97 54.13 1n9s s LYS 30 Cb -0.17 -3.08 0.03 0.00 -1.46 0.00 0.00 37.83 33.15 1n9s s LYS 30 CO 0.03 0.63 0.90 -0.51 0.16 0.00 0.00 175.35 176.55 1n9s s LEU 31 N -0.63 3.12 0.04 5.43 1.43 -1.09 -0.09 118.68 126.89 1n9s s LEU 31 Ca 0.12 0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 1n9s s LEU 31 Cb -0.12 -3.21 -0.17 0.00 0.03 0.00 0.00 46.19 42.71 1n9s s LEU 31 CO 0.02 -1.25 1.24 0.11 0.23 0.00 0.00 176.35 176.71 1n9s h LYS 32 N -0.24 0.47 -5.89 1.70 1.57 -1.75 -3.40 116.57 109.04 1n9s h LYS 32 Ca -0.44 -0.35 -0.63 0.00 -1.87 0.00 0.00 60.65 57.36 1n9s h LYS 32 Cb 1.29 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.61 1n9s h LYS 32 CO 0.59 0.98 -0.41 -0.59 -0.57 0.00 0.00 179.45 179.44 1n9s s PHE 33 N -3.78 3.57 0.00 -1.35 -0.12 -1.26 -4.97 117.98 110.06 1n9s s PHE 33 Ca -0.13 0.52 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 1n9s s PHE 33 Cb 0.05 -1.95 0.00 0.00 -0.63 0.00 0.00 43.02 40.49 1n9s s PHE 33 CO 0.80 0.62 0.00 0.09 -0.05 0.00 0.00 175.22 176.68 1n9s n ASN 34 N 1.07 0.00 -2.74 1.98 3.02 -1.26 -4.41 115.26 112.92 1n9s n ASN 34 Ca -0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1n9s n ASN 34 Cb 0.53 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.79 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 2.54 -0.24 -4.76 6.41 3.41 -1.26 -5.04 113.62 114.68 1n9s n SER 35 Ca 0.00 -2.15 -0.38 0.00 -0.26 0.00 0.00 58.87 56.08 1n9s n SER 35 Cb 0.00 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.46 5.07 0.01 6.66 2.01 -1.25 -1.91 115.64 124.76 1n9s s THR 36 Ca 0.17 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.23 1n9s s THR 36 Cb 0.40 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 1n9s s THR 36 CO -0.09 0.41 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.39 1n9s s GLU 37 N 0.04 1.19 -0.25 4.92 2.12 0.25 -2.65 118.70 124.31 1n9s s GLU 37 Ca 0.27 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 1n9s s GLU 37 Cb -0.16 -1.17 -0.01 0.00 0.26 0.00 0.00 34.13 33.04 1n9s s GLU 37 CO 0.13 0.31 0.02 0.71 -0.54 0.00 0.00 175.26 175.90 1n9s s TYR 38 N -0.51 3.05 -0.01 5.30 1.51 0.99 0.98 117.35 128.66 1n9s s TYR 38 Ca 0.05 -0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 1n9s s TYR 38 Cb -0.07 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1n9s s TYR 38 CO 0.00 -0.50 0.07 1.03 -1.11 0.00 0.00 175.55 175.04 1n9s s ARG 39 N 1.52 3.05 0.00 -0.62 0.52 -0.83 0.13 118.95 122.73 1n9s s ARG 39 Ca 0.05 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 1n9s s ARG 39 Cb -0.15 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1n9s s ARG 39 CO 0.00 0.65 0.00 0.41 0.02 0.00 0.00 175.30 176.39 1n9s n GLY 40 N 1.31 -1.01 3.76 -3.53 0.00 -0.52 -0.89 105.19 104.31 1n9s n GLY 40 Ca -0.14 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.00 5.23 -1.05 2.61 2.01 -0.82 0.29 115.64 120.93 1n9s s THR 41 Ca 0.00 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 1n9s s THR 41 Cb 0.00 -3.33 0.05 0.00 0.01 0.00 0.00 72.50 69.23 1n9s s THR 41 CO 0.00 0.52 1.48 -0.22 -0.69 0.00 0.00 174.62 175.70 1n9s s LEU 42 N -0.18 3.53 0.00 4.42 2.96 -0.38 -1.62 118.68 127.41 1n9s s LEU 42 Ca 0.10 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.46 1n9s s LEU 42 Cb -0.12 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.00 1n9s s LEU 42 CO 0.01 -1.48 0.70 0.52 -1.32 0.00 0.00 176.35 174.78 1n9s n VAL 43 N 6.85 0.00 -4.35 1.68 0.31 0.41 -0.68 118.33 122.56 1n9s n VAL 43 Ca 0.35 1.20 -0.18 0.00 -0.01 0.00 0.00 64.34 65.69 1n9s n VAL 43 Cb 0.51 -2.09 -0.10 0.00 -0.91 0.00 0.00 33.84 31.24 1n9s n VAL 43 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1n9s s SER 44 N -2.22 1.55 0.01 4.52 1.04 -1.14 -4.30 113.70 113.16 1n9s s SER 44 Ca 0.00 -1.47 -0.00 0.00 0.48 0.00 0.00 55.95 54.95 1n9s s SER 44 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1n9s s SER 44 CO 0.00 -0.80 0.02 0.41 0.98 0.00 0.00 173.24 173.86 1n9s n THR 45 N -0.56 0.00 -3.65 2.02 -1.04 -1.26 -2.33 114.28 107.46 1n9s n THR 45 Ca -0.00 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 61.97 1n9s n THR 45 Cb 0.66 0.03 -0.07 0.00 -1.82 0.00 0.00 70.33 69.13 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 -1.06 -0.18 0.00 8.00 -4.77 -1.22 -4.95 116.67 112.49 1n9s s ASP 46 Ca 0.00 0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.56 1n9s s ASP 46 Cb -0.00 0.77 0.00 0.00 -1.09 0.00 0.00 42.92 42.60 1n9s s ASP 46 CO 0.00 -0.05 0.00 0.59 0.70 0.00 0.00 175.17 176.41 1n9s n ASN 47 N 2.66 0.00 0.00 2.11 3.02 -1.26 0.14 115.26 121.93 1n9s n ASN 47 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1n9s n ASN 47 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 -3.04 0.00 -2.09 3.10 4.02 -1.26 -4.78 117.16 113.11 1n9s n TYR 48 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1n9s n TYR 48 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 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 -1.04 -0.60 -3.48 -0.72 3.01 0.38 -4.51 117.46 110.50 1n9s n PHE 49 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 1n9s n PHE 49 Cb 0.01 -3.45 -0.08 0.00 -0.01 0.00 0.00 39.48 35.95 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 -2.37 6.36 0.06 4.37 0.01 -1.21 -3.17 114.94 118.99 1n9s s ASN 50 Ca 0.00 0.42 0.03 0.00 -0.71 0.00 0.00 52.86 52.60 1n9s s ASN 50 Cb 0.00 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 1n9s s ASN 50 CO 0.00 -0.01 -0.10 -1.48 -1.51 0.00 0.00 177.10 174.00 1n9s s LEU 51 N 1.10 2.31 -0.26 0.60 0.05 -1.09 -3.42 118.68 117.96 1n9s s LEU 51 Ca 0.16 -0.64 -0.07 0.00 0.05 0.00 0.00 54.13 53.62 1n9s s LEU 51 Cb -0.14 -0.27 -0.02 0.00 -2.05 0.00 0.00 46.19 43.72 1n9s s LEU 51 CO 0.06 -0.20 0.07 -1.58 -0.55 0.00 0.00 176.35 174.15 1n9s s GLN 52 N -1.99 3.50 -0.04 1.48 0.74 -0.98 -0.72 119.66 121.65 1n9s s GLN 52 Ca -0.04 -0.58 0.04 0.00 0.05 0.00 0.00 55.36 54.83 1n9s s GLN 52 Cb -0.08 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 1n9s s GLN 52 CO 0.00 -0.26 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.18 1n9s s LEU 53 N 1.59 2.79 -0.01 3.68 2.96 -0.19 -0.44 118.68 129.06 1n9s s LEU 53 Ca 0.05 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1n9s s LEU 53 Cb -0.16 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1n9s s LEU 53 CO 0.03 0.33 -0.10 0.21 -1.32 0.00 0.00 176.35 175.50 1n9s s ASN 54 N -0.86 4.35 -1.19 3.68 3.84 -0.64 -1.22 114.94 122.91 1n9s s ASN 54 Ca 0.12 -0.19 -0.05 0.00 0.21 0.00 0.00 52.86 52.95 1n9s s ASN 54 Cb -0.11 -0.95 -0.02 0.00 -0.55 0.00 0.00 41.25 39.62 1n9s s ASN 54 CO 0.02 0.30 0.83 -0.62 -2.79 0.00 0.00 177.10 174.83 1n9s n GLU 55 N 1.78 -3.88 -2.69 0.43 1.02 -1.10 -1.94 120.64 114.26 1n9s n GLU 55 Ca -0.16 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.25 1n9s n GLU 55 Cb 0.52 -5.28 -0.02 0.00 -0.02 0.00 0.00 31.44 26.64 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 -3.51 3.62 -0.20 0.62 0.00 -0.30 -4.46 121.76 117.54 1n9s s ALA 56 Ca 0.20 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 1n9s s ALA 56 Cb -0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1n9s s ALA 56 CO 0.79 -0.93 -0.09 -2.00 0.00 0.00 0.00 175.76 173.53 1n9s s GLU 57 N 2.88 3.30 -0.19 0.00 2.12 -0.07 0.28 118.70 127.02 1n9s s GLU 57 Ca 0.44 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 1n9s s GLU 57 Cb -0.16 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1n9s s GLU 57 CO 0.09 -0.13 1.01 -2.00 -0.54 0.00 0.00 175.26 173.69 1n9s s GLU 58 N 1.26 4.31 -0.14 4.30 2.12 -1.09 -1.96 118.70 127.51 1n9s s GLU 58 Ca 0.03 1.34 0.01 0.00 0.36 0.00 0.00 54.97 56.71 1n9s s GLU 58 Cb -0.14 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1n9s s GLU 58 CO -0.04 -0.51 -0.16 -0.06 -0.54 0.00 0.00 175.26 173.95 1n9s s PHE 59 N 2.75 2.75 -0.25 5.30 0.40 0.28 -0.34 117.98 128.88 1n9s s PHE 59 Ca 0.45 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1n9s s PHE 59 Cb -0.16 -1.84 0.06 0.00 0.51 0.00 0.00 43.02 41.59 1n9s s PHE 59 CO 0.10 -0.37 -0.05 0.08 0.70 0.00 0.00 175.22 175.68 1n9s s VAL 60 N 0.57 1.62 -1.28 -0.44 1.01 0.87 0.84 120.40 123.58 1n9s s VAL 60 Ca -0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 1n9s s VAL 60 Cb -0.16 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1n9s s VAL 60 CO 0.04 -0.14 0.68 0.00 0.00 0.00 0.00 175.10 175.68 1n9s n ALA 61 N 4.63 -0.92 -3.17 5.51 0.00 -0.80 -1.07 120.51 124.69 1n9s n ALA 61 Ca -0.11 0.28 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1n9s n ALA 61 Cb 0.44 -3.86 0.05 0.00 0.00 0.00 0.00 19.45 16.08 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 -1.54 -0.29 3.01 0.00 0.00 -1.26 -4.99 105.19 100.11 1n9s n GLY 62 Ca -0.06 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.17 0.78 0.21 1.61 1.01 -0.23 -5.12 120.40 115.49 1n9s s VAL 63 Ca 0.38 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1n9s s VAL 63 Cb -0.17 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.44 1n9s s VAL 63 CO 0.47 0.24 1.20 -0.55 0.00 0.00 0.00 175.10 176.45 1n9s s SER 64 N 0.09 7.08 -0.22 3.32 0.15 -1.26 -0.09 113.70 122.77 1n9s s SER 64 Ca -0.01 2.28 0.11 0.00 0.70 0.00 0.00 55.95 59.03 1n9s s SER 64 Cb -0.07 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 62.05 1n9s s SER 64 CO 0.00 -0.36 1.24 1.41 1.20 0.00 0.00 173.24 176.74 1n9s n HIS 65 N 2.17 0.15 0.00 3.44 8.25 0.54 -4.90 115.22 124.88 1n9s n HIS 65 Ca 0.03 -1.52 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1n9s n HIS 65 Cb 0.44 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.11 -1.32 3.18 -1.41 0.00 -1.26 -4.84 105.19 98.42 1n9s n GLY 66 Ca 0.21 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.12 1.40 0.04 2.61 2.01 -1.26 -2.67 115.64 117.64 1n9s s THR 67 Ca 0.00 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.20 1n9s s THR 67 Cb 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1n9s s THR 67 CO 0.00 0.32 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.40 1n9s s LEU 68 N -0.62 3.08 0.00 4.42 1.43 0.79 -4.97 118.68 122.80 1n9s s LEU 68 Ca 0.06 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1n9s s LEU 68 Cb -0.07 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1n9s s LEU 68 CO -0.00 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1n9s n GLY 69 N 1.29 -2.47 3.75 -3.19 0.00 -1.26 -1.15 105.19 102.16 1n9s n GLY 69 Ca -0.15 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 4.37 0.04 1.61 0.41 -1.26 -1.77 118.70 122.09 1n9s s GLU 70 Ca 0.00 0.81 0.08 0.00 -0.41 0.00 0.00 54.97 55.45 1n9s s GLU 70 Cb 0.00 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 28.97 1n9s s GLU 70 CO 0.00 0.32 -0.22 0.96 -0.49 0.00 0.00 175.26 175.83 1n9s s ILE 71 N -0.06 1.73 -0.32 -1.63 -4.36 -0.36 -4.98 121.20 111.22 1n9s s ILE 71 Ca 0.33 -1.21 -0.06 0.00 -0.26 0.00 0.00 60.65 59.45 1n9s s ILE 71 Cb -0.19 -1.50 0.03 0.00 1.25 0.00 0.00 42.46 42.06 1n9s s ILE 71 CO 0.18 0.25 0.09 -0.36 0.24 0.00 0.00 174.94 175.34 1n9s s PHE 72 N -0.78 3.21 0.23 1.37 0.40 -1.26 -1.02 117.98 120.13 1n9s s PHE 72 Ca 0.08 -1.29 -0.00 0.00 -0.60 0.00 0.00 56.93 55.12 1n9s s PHE 72 Cb -0.09 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 1n9s s PHE 72 CO 0.02 -0.68 0.41 0.42 0.70 0.00 0.00 175.22 176.09 1n9s s ILE 73 N 1.43 5.19 -0.10 0.64 1.01 0.11 -4.99 121.20 124.48 1n9s s ILE 73 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1n9s s ILE 73 Cb -0.19 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1n9s s ILE 73 CO 0.02 -0.24 -0.01 -0.13 0.00 0.00 0.00 174.94 174.58 1n9s s ARG 74 N -3.52 3.14 0.13 2.79 1.81 -1.26 -2.68 118.95 119.35 1n9s s ARG 74 Ca 0.38 -0.44 -0.21 0.00 -1.72 0.00 0.00 55.73 53.75 1n9s s ARG 74 Cb -0.11 -2.82 -0.02 0.00 -0.45 0.00 0.00 34.95 31.55 1n9s s ARG 74 CO 0.30 0.59 1.69 1.03 -0.68 0.00 0.00 175.30 178.23 1n9s h SER 75 N 5.53 -0.31 -0.73 0.23 0.87 -1.78 -3.11 113.55 114.25 1n9s h SER 75 Ca -0.46 0.07 0.13 0.00 -1.23 0.00 0.00 61.79 60.30 1n9s h SER 75 Cb 1.19 0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 63.19 1n9s h SER 75 CO 0.57 -0.13 -0.24 0.59 -0.53 0.00 0.00 176.83 177.08 1n9s n ASN 76 N -5.24 -0.39 0.00 6.23 5.03 -1.26 0.17 115.26 119.79 1n9s n ASN 76 Ca -0.03 1.27 0.10 0.00 0.87 0.00 0.00 54.58 56.79 1n9s n ASN 76 Cb 0.17 -0.33 0.51 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 -5.12 0.00 -4.63 6.41 3.02 -1.18 -4.81 115.26 108.96 1n9s n ASN 77 Ca 0.09 -0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1n9s n ASN 77 Cb 0.32 -0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.48 5.22 -0.10 2.41 1.01 0.44 -2.11 120.40 124.78 1n9s s VAL 78 Ca 0.20 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1n9s s VAL 78 Cb 0.13 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1n9s s VAL 78 CO 0.29 0.22 0.20 0.25 0.00 0.00 0.00 175.10 176.06 1n9s h LEU 79 N 8.17 -0.03 -7.00 3.92 5.85 -0.72 -3.45 115.31 122.04 1n9s h LEU 79 Ca -0.34 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1n9s h LEU 79 Cb 1.17 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.03 1n9s h LEU 79 CO 0.66 0.56 0.29 -0.72 -0.34 0.00 0.00 178.44 178.88 1n9s s TYR 80 N -1.83 -0.54 -0.02 1.25 -0.85 -1.18 -5.02 117.35 109.15 1n9s s TYR 80 Ca -0.04 0.72 0.05 0.00 -0.52 0.00 0.00 57.07 57.28 1n9s s TYR 80 Cb -0.00 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1n9s s TYR 80 CO 0.15 -0.63 -0.18 0.42 -1.52 0.00 0.00 175.55 173.80 1n9s s ILE 81 N -2.12 2.77 0.08 -3.49 1.01 -1.26 -0.86 121.20 117.33 1n9s s ILE 81 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1n9s s ILE 81 Cb -0.00 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1n9s s ILE 81 CO 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 174.94 175.44 1n9s s ARG 82 N -0.85 0.75 -0.20 2.79 1.70 0.05 -4.96 118.95 118.24 1n9s s ARG 82 Ca 0.12 -1.30 -0.21 0.00 -0.47 0.00 0.00 55.73 53.87 1n9s s ARG 82 Cb -0.10 0.01 -0.02 0.00 -0.57 0.00 0.00 34.95 34.26 1n9s s ARG 82 CO 0.01 -0.08 0.63 -2.00 -1.08 0.00 0.00 175.30 172.78 1n9s s GLU 83 N -3.89 4.21 0.00 3.89 2.12 -1.26 0.61 118.70 124.38 1n9s s GLU 83 Ca 0.11 0.63 0.00 0.00 0.36 0.00 0.00 54.97 56.07 1n9s s GLU 83 Cb 0.07 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1n9s s GLU 83 CO -0.06 -0.24 0.00 1.28 -0.54 0.00 0.00 175.26 175.69 1n9s n LEU 84 N 5.05 0.00 -4.96 2.70 4.77 1.25 -4.87 117.00 120.94 1n9s n LEU 84 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1n9s n LEU 84 Cb 0.50 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1n9s n LEU 84 CO 0.44 -0.01 0.37 -2.16 -1.33 0.00 0.00 177.39 174.70 1n9s s PRO 85 N 0.00 2.73 0.00 3.23 0.04 -1.26 -4.85 135.00 134.89 1n9s s PRO 85 Ca 0.00 -0.58 0.28 0.00 0.04 0.00 0.00 61.00 60.74 1n9s s PRO 85 Cb 0.00 -2.47 1.08 0.00 0.04 0.00 0.00 34.50 33.15 1n9s s PRO 85 CO 0.00 -0.59 1.76 0.27 0.04 0.00 0.00 177.00 178.48