#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s s PRO 17 N 0.00 4.60 0.00 1.97 0.02 -1.26 -4.78 135.00 135.55 1n9s s PRO 17 Ca 0.00 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.38 1n9s s PRO 17 Cb 0.00 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1n9s s PRO 17 CO 0.00 0.09 0.00 0.34 -0.33 0.00 0.00 177.00 177.10 1n9s n PHE 18 N 3.35 0.00 0.22 6.54 7.35 -1.26 -4.22 117.46 129.44 1n9s n PHE 18 Ca 0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1n9s n PHE 18 Cb 0.50 0.00 0.57 0.00 0.35 0.00 0.00 39.48 40.90 1n9s n PHE 18 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1n9s h LEU 19 N 0.00 0.00 0.00 -2.13 4.07 -1.94 -3.39 115.31 111.92 1n9s h LEU 19 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1n9s h LEU 19 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1n9s h LEU 19 CO 0.00 0.00 0.00 1.17 -1.08 0.00 0.00 178.44 178.53 1n9s n LYS 20 N -2.37 0.00 0.00 1.13 4.81 -1.26 -2.01 118.16 118.46 1n9s n LYS 20 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1n9s n LYS 20 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 1n9s n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n9s n GLY 21 N -0.94 0.00 0.15 3.14 0.00 -1.26 -1.61 105.19 104.66 1n9s n GLY 21 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.94 0.94 -4.62 0.99 4.77 -0.85 -4.94 117.00 112.35 1n9s n LEU 22 Ca 0.00 -0.72 -0.45 0.00 -0.03 0.00 0.00 56.01 54.81 1n9s n LEU 22 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1n9s n LEU 22 CO 0.00 0.20 0.75 0.52 -1.33 0.00 0.00 177.39 177.52 1n9s n VAL 23 N -0.46 1.53 -2.09 4.08 0.31 -0.64 1.00 118.33 122.07 1n9s n VAL 23 Ca 0.03 -0.38 -0.21 0.00 -0.01 0.00 0.00 64.34 63.77 1n9s n VAL 23 Cb 0.16 -1.15 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 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 1.53 -5.73 -4.60 4.52 3.02 -0.41 -4.94 115.26 108.65 1n9s n ASN 24 Ca 0.10 0.19 -0.26 0.00 -0.03 0.00 0.00 54.58 54.59 1n9s n ASN 24 Cb 0.31 -4.88 -0.09 0.00 -0.61 0.00 0.00 39.78 34.51 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 -2.93 2.68 -0.48 3.10 3.76 0.28 -4.88 115.29 116.82 1n9s s HIS 25 Ca 0.00 -0.21 -0.27 0.00 -0.15 0.00 0.00 55.06 54.43 1n9s s HIS 25 Cb 0.00 -1.28 0.03 0.00 1.11 0.00 0.00 32.58 32.44 1n9s s HIS 25 CO 0.00 0.54 1.05 0.50 -0.85 0.00 0.00 174.74 175.98 1n9s s ARG 26 N -3.04 3.60 0.28 1.40 3.52 -1.26 -2.95 118.95 120.50 1n9s s ARG 26 Ca 0.27 0.32 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 1n9s s ARG 26 Cb -0.08 -3.93 -0.06 0.00 -1.56 0.00 0.00 34.95 29.32 1n9s s ARG 26 CO 0.17 -1.35 -0.06 0.14 -0.81 0.00 0.00 175.30 173.38 1n9s s VAL 27 N 4.19 1.66 -0.14 7.11 -7.23 -0.13 0.85 120.40 126.71 1n9s s VAL 27 Ca 0.42 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1n9s s VAL 27 Cb -0.09 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1n9s s VAL 27 CO 0.28 -0.31 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.76 1n9s s GLY 28 N -3.44 1.43 -0.22 2.32 0.00 0.20 -1.92 107.32 105.68 1n9s s GLY 28 Ca 0.29 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.92 1n9s s GLY 28 CO 0.12 -0.06 0.04 0.14 0.00 0.00 0.00 173.10 173.34 1n9s s VAL 29 N 0.69 4.25 -0.08 1.40 1.01 -0.41 -0.32 120.40 126.93 1n9s s VAL 29 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1n9s s VAL 29 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1n9s s VAL 29 CO 0.01 0.39 -0.03 -0.75 0.00 0.00 0.00 175.10 174.73 1n9s s LYS 30 N 1.17 2.91 0.23 2.72 2.47 -0.79 0.88 119.74 129.33 1n9s s LYS 30 Ca 0.04 -0.48 0.02 0.00 -1.56 0.00 0.00 55.97 53.99 1n9s s LYS 30 Cb -0.14 -2.71 -0.03 0.00 -1.46 0.00 0.00 37.83 33.48 1n9s s LYS 30 CO 0.03 0.66 0.38 -0.51 0.16 0.00 0.00 175.35 176.07 1n9s s LEU 31 N -0.78 4.25 0.05 5.43 1.43 -1.05 -0.98 118.68 127.02 1n9s s LEU 31 Ca 0.12 0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 1n9s s LEU 31 Cb -0.11 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 1n9s s LEU 31 CO 0.02 -0.07 1.32 0.11 0.23 0.00 0.00 176.35 177.96 1n9s h LYS 32 N 1.54 -0.57 -6.56 1.70 1.57 -1.80 -3.42 116.57 109.03 1n9s h LYS 32 Ca -0.50 0.04 -0.52 0.00 -1.87 0.00 0.00 60.65 57.80 1n9s h LYS 32 Cb 1.21 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 1n9s h LYS 32 CO 0.65 -0.38 0.16 -0.59 -0.57 0.00 0.00 179.45 178.72 1n9s s PHE 33 N -4.64 3.79 0.00 -1.35 -0.12 -1.26 -4.68 117.98 109.72 1n9s s PHE 33 Ca -0.10 1.55 0.00 0.00 -0.05 0.00 0.00 56.93 58.32 1n9s s PHE 33 Cb 0.02 -2.72 0.00 0.00 -0.63 0.00 0.00 43.02 39.70 1n9s s PHE 33 CO 0.34 0.43 0.00 0.09 -0.05 0.00 0.00 175.22 176.03 1n9s n ASN 34 N 1.20 -2.54 -1.90 1.98 3.02 -1.26 -4.37 115.26 111.38 1n9s n ASN 34 Ca -0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1n9s n ASN 34 Cb 0.50 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.93 -0.67 -4.82 6.41 3.41 -1.26 -4.70 113.62 113.92 1n9s n SER 35 Ca 0.00 0.30 -0.36 0.00 -0.26 0.00 0.00 58.87 58.55 1n9s n SER 35 Cb 0.09 -0.86 -0.06 0.00 -0.26 0.00 0.00 64.21 63.12 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 -1.62 4.60 -0.03 6.66 2.01 -1.25 -1.25 115.64 124.76 1n9s s THR 36 Ca 0.00 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1n9s s THR 36 Cb 0.00 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1n9s s THR 36 CO 0.00 0.23 -0.00 -0.70 -0.69 0.00 0.00 174.62 173.46 1n9s s GLU 37 N -1.92 0.36 -0.37 4.92 2.12 0.49 -2.54 118.70 121.76 1n9s s GLU 37 Ca 0.42 0.08 -0.13 0.00 0.36 0.00 0.00 54.97 55.69 1n9s s GLU 37 Cb -0.17 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.67 1n9s s GLU 37 CO 0.21 -0.15 0.25 0.71 -0.54 0.00 0.00 175.26 175.74 1n9s s TYR 38 N 1.15 3.23 -0.15 5.30 1.51 0.26 0.67 117.35 129.30 1n9s s TYR 38 Ca -0.08 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1n9s s TYR 38 Cb -0.13 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 1n9s s TYR 38 CO -0.02 -0.48 0.13 1.03 -1.11 0.00 0.00 175.55 175.10 1n9s s ARG 39 N 1.68 3.75 0.00 -0.62 0.52 -0.50 -1.29 118.95 122.49 1n9s s ARG 39 Ca 0.05 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1n9s s ARG 39 Cb -0.18 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1n9s s ARG 39 CO 0.10 0.56 0.00 0.41 0.02 0.00 0.00 175.30 176.38 1n9s n GLY 40 N 2.69 1.33 3.83 -3.53 0.00 -0.81 -0.57 105.19 108.12 1n9s n GLY 40 Ca -0.18 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.31 4.57 -0.27 2.61 2.01 -0.93 -0.96 115.64 120.36 1n9s s THR 41 Ca 0.00 -1.15 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 1n9s s THR 41 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1n9s s THR 41 CO 0.00 -0.20 0.11 -0.22 -0.69 0.00 0.00 174.62 173.63 1n9s s LEU 42 N -3.39 3.68 0.00 4.42 2.96 -1.15 -0.56 118.68 124.63 1n9s s LEU 42 Ca 0.32 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1n9s s LEU 42 Cb -0.09 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1n9s s LEU 42 CO 0.24 -0.06 0.50 0.52 -1.32 0.00 0.00 176.35 176.24 1n9s n VAL 43 N 4.97 0.00 -3.96 1.68 0.31 -0.47 -1.29 118.33 119.58 1n9s n VAL 43 Ca -0.15 0.95 -0.09 0.00 -0.01 0.00 0.00 64.34 65.03 1n9s n VAL 43 Cb 0.51 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.23 0.21 -0.02 4.52 1.04 -1.26 -4.51 113.70 111.46 1n9s s SER 44 Ca 0.00 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 1n9s s SER 44 Cb 0.00 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1n9s s SER 44 CO 0.00 -0.42 0.21 -0.89 0.98 0.00 0.00 173.24 173.12 1n9s s THR 45 N -2.16 0.06 0.15 2.02 2.01 -1.26 -0.99 115.64 115.46 1n9s s THR 45 Ca -0.09 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1n9s s THR 45 Cb -0.04 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1n9s s THR 45 CO -0.03 -0.26 -0.12 1.51 -0.69 0.00 0.00 174.62 175.03 1n9s s ASP 46 N -1.04 1.94 0.16 3.53 -4.77 -1.21 -4.91 116.67 110.39 1n9s s ASP 46 Ca -0.11 -0.96 0.13 0.00 -3.30 0.00 0.00 52.55 48.31 1n9s s ASP 46 Cb -0.06 -0.04 0.53 0.00 -1.09 0.00 0.00 42.92 42.26 1n9s s ASP 46 CO 0.02 -0.26 0.52 0.59 0.70 0.00 0.00 175.17 176.74 1n9s n ASN 47 N -0.02 0.04 0.00 2.11 3.02 -1.26 0.17 115.26 119.31 1n9s n ASN 47 Ca -0.11 0.41 0.05 0.00 -0.03 0.00 0.00 54.58 54.89 1n9s n ASN 47 Cb 0.60 -0.20 0.24 0.00 -0.61 0.00 0.00 39.78 39.80 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 -3.03 0.00 -1.09 3.10 4.02 -1.26 -4.86 117.16 114.04 1n9s n TYR 48 Ca 0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.00 1n9s n TYR 48 Cb 0.58 -0.35 -0.01 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 -1.35 0.00 -2.86 -0.72 3.01 0.44 -4.51 117.46 111.47 1n9s n PHE 49 Ca 0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.09 1n9s n PHE 49 Cb 0.09 -1.77 -0.04 0.00 -0.01 0.00 0.00 39.48 37.75 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 -2.17 7.24 0.03 4.37 0.01 -1.25 -3.60 114.94 119.57 1n9s s ASN 50 Ca 0.00 1.49 -0.02 0.00 -0.71 0.00 0.00 52.86 53.62 1n9s s ASN 50 Cb 0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1n9s s ASN 50 CO 0.00 -0.16 0.02 -1.48 -1.51 0.00 0.00 177.10 173.98 1n9s s LEU 51 N 0.69 2.09 -0.14 0.60 0.05 -0.88 -3.28 118.68 117.81 1n9s s LEU 51 Ca 0.45 -0.56 -0.13 0.00 0.05 0.00 0.00 54.13 53.94 1n9s s LEU 51 Cb -0.20 0.31 -0.05 0.00 -2.05 0.00 0.00 46.19 44.20 1n9s s LEU 51 CO 0.24 -0.41 0.29 -1.58 -0.55 0.00 0.00 176.35 174.35 1n9s s GLN 52 N -2.15 4.15 -0.06 1.48 0.74 -0.16 -0.02 119.66 123.64 1n9s s GLN 52 Ca -0.09 0.12 0.05 0.00 0.05 0.00 0.00 55.36 55.48 1n9s s GLN 52 Cb -0.04 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 1n9s s GLN 52 CO -0.03 0.33 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.65 1n9s s LEU 53 N 0.18 2.00 -0.01 3.68 2.96 0.39 -1.37 118.68 126.51 1n9s s LEU 53 Ca 0.17 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1n9s s LEU 53 Cb -0.13 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 1n9s s LEU 53 CO 0.05 0.19 0.02 0.21 -1.32 0.00 0.00 176.35 175.50 1n9s s ASN 54 N 0.03 5.29 -1.07 3.68 3.84 0.27 -0.48 114.94 126.50 1n9s s ASN 54 Ca -0.07 0.05 -0.17 0.00 0.21 0.00 0.00 52.86 52.88 1n9s s ASN 54 Cb -0.14 -1.43 -0.01 0.00 -0.55 0.00 0.00 41.25 39.12 1n9s s ASN 54 CO 0.04 0.29 0.77 -0.62 -2.79 0.00 0.00 177.10 174.79 1n9s n GLU 55 N 1.41 -1.26 -2.69 0.43 1.02 -1.16 -2.19 120.64 116.20 1n9s n GLU 55 Ca -0.15 0.58 -0.41 0.00 -0.02 0.00 0.00 57.16 57.16 1n9s n GLU 55 Cb 0.53 -4.11 -0.04 0.00 -0.02 0.00 0.00 31.44 27.79 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 -3.38 3.25 -0.21 0.62 0.00 -0.51 -4.50 121.76 117.03 1n9s s ALA 56 Ca 0.40 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1n9s s ALA 56 Cb -0.14 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1n9s s ALA 56 CO 0.85 -0.09 -0.07 -2.00 0.00 0.00 0.00 175.76 174.45 1n9s s GLU 57 N 0.14 1.72 0.27 0.00 2.12 0.26 0.44 118.70 123.65 1n9s s GLU 57 Ca 0.48 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 1n9s s GLU 57 Cb -0.24 -2.43 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1n9s s GLU 57 CO 0.30 -0.51 1.25 -2.00 -0.54 0.00 0.00 175.26 173.76 1n9s s GLU 58 N 1.44 4.44 -0.02 4.30 2.12 -0.97 -1.41 118.70 128.60 1n9s s GLU 58 Ca -0.03 2.05 0.02 0.00 0.36 0.00 0.00 54.97 57.36 1n9s s GLU 58 Cb -0.17 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1n9s s GLU 58 CO -0.07 -0.11 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.42 1n9s s PHE 59 N -0.67 0.74 -0.22 5.30 0.40 0.21 -2.19 117.98 121.55 1n9s s PHE 59 Ca 0.51 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.66 1n9s s PHE 59 Cb -0.36 -0.56 0.06 0.00 0.51 0.00 0.00 43.02 42.67 1n9s s PHE 59 CO 0.44 -0.09 -0.05 0.08 0.70 0.00 0.00 175.22 176.30 1n9s s VAL 60 N 0.29 1.41 -1.86 -0.44 1.01 -0.35 0.18 120.40 120.64 1n9s s VAL 60 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1n9s s VAL 60 Cb -0.08 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1n9s s VAL 60 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.02 1n9s n ALA 61 N 4.72 -0.29 -0.24 5.51 0.00 -0.38 -1.15 120.51 128.68 1n9s n ALA 61 Ca -0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1n9s n ALA 61 Cb 0.45 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.81 0.82 3.64 0.00 0.00 -1.26 -5.06 105.19 102.51 1n9s n GLY 62 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.12 3.77 -0.09 1.61 1.01 -0.30 -5.09 120.40 119.19 1n9s s VAL 63 Ca 0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 1n9s s VAL 63 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1n9s s VAL 63 CO 0.00 0.21 0.81 -0.55 0.00 0.00 0.00 175.10 175.57 1n9s s SER 64 N -2.00 7.05 -0.17 3.32 0.15 -1.26 -1.21 113.70 119.59 1n9s s SER 64 Ca 0.22 1.28 0.17 0.00 0.70 0.00 0.00 55.95 58.32 1n9s s SER 64 Cb -0.11 -2.46 0.42 0.00 -1.71 0.00 0.00 66.02 62.16 1n9s s SER 64 CO 0.14 -0.26 1.30 1.41 1.20 0.00 0.00 173.24 177.03 1n9s n HIS 65 N 4.39 0.52 0.00 3.44 8.25 -0.93 -4.98 115.22 125.92 1n9s n HIS 65 Ca 0.03 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.50 1n9s n HIS 65 Cb 0.50 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.96 0.99 3.17 -1.41 0.00 -1.26 -4.85 105.19 100.86 1n9s n GLY 66 Ca 0.20 -2.29 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.06 1.65 0.24 2.61 2.01 -1.26 -2.30 115.64 117.53 1n9s s THR 67 Ca 0.00 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.26 1n9s s THR 67 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1n9s s THR 67 CO 0.00 0.47 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.63 1n9s s LEU 68 N 0.09 3.21 0.00 4.42 1.43 0.17 -5.00 118.68 123.01 1n9s s LEU 68 Ca -0.07 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1n9s s LEU 68 Cb -0.13 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1n9s s LEU 68 CO 0.04 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1n9s n GLY 69 N -0.63 -3.01 3.79 -3.19 0.00 -1.26 -1.97 105.19 98.92 1n9s n GLY 69 Ca -0.08 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 4.00 0.15 1.61 0.41 -1.26 -1.43 118.70 122.18 1n9s s GLU 70 Ca 0.00 0.17 0.08 0.00 -0.41 0.00 0.00 54.97 54.81 1n9s s GLU 70 Cb 0.00 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1n9s s GLU 70 CO 0.00 0.48 -0.19 0.96 -0.49 0.00 0.00 175.26 176.02 1n9s s ILE 71 N -0.29 1.78 -0.23 -1.63 -4.36 0.37 -4.95 121.20 111.89 1n9s s ILE 71 Ca 0.19 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1n9s s ILE 71 Cb -0.14 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 41.84 1n9s s ILE 71 CO 0.07 -0.24 -0.12 -0.36 0.24 0.00 0.00 174.94 174.54 1n9s s PHE 72 N -1.78 3.01 0.08 1.37 0.40 -1.26 -0.46 117.98 119.34 1n9s s PHE 72 Ca 0.13 -1.71 -0.08 0.00 -0.60 0.00 0.00 56.93 54.67 1n9s s PHE 72 Cb -0.07 -1.99 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 1n9s s PHE 72 CO 0.06 -0.78 0.37 0.42 0.70 0.00 0.00 175.22 175.99 1n9s s ILE 73 N 1.28 5.14 -0.26 0.64 1.01 0.96 -4.94 121.20 125.04 1n9s s ILE 73 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.83 1n9s s ILE 73 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1n9s s ILE 73 CO -0.07 0.25 0.32 -0.13 0.00 0.00 0.00 174.94 175.31 1n9s s ARG 74 N -2.04 4.04 0.12 2.79 1.81 -1.26 -2.07 118.95 122.34 1n9s s ARG 74 Ca 0.34 -0.03 -0.22 0.00 -1.72 0.00 0.00 55.73 54.09 1n9s s ARG 74 Cb -0.13 -3.62 -0.04 0.00 -0.45 0.00 0.00 34.95 30.71 1n9s s ARG 74 CO 0.19 -0.18 1.13 -1.13 -0.68 0.00 0.00 175.30 174.64 1n9s n SER 75 N 5.00 -0.76 -0.25 0.23 3.41 -1.24 -2.20 113.62 117.81 1n9s n SER 75 Ca -0.10 1.31 -0.02 0.00 -0.26 0.00 0.00 58.87 59.79 1n9s n SER 75 Cb 0.51 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1n9s n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1n9s n ASN 76 N -4.93 -0.49 -0.07 4.04 5.15 -1.26 0.19 115.26 117.90 1n9s n ASN 76 Ca 0.02 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1n9s n ASN 76 Cb 0.20 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 1n9s n ASN 76 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1n9s n ASN 77 N -4.91 0.08 -4.42 1.20 3.02 -0.93 -4.67 115.26 104.63 1n9s n ASN 77 Ca 0.05 -1.12 -0.36 0.00 -0.03 0.00 0.00 54.58 53.12 1n9s n ASN 77 Cb 0.23 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.85 4.21 -0.04 2.41 1.01 0.52 -2.52 120.40 124.13 1n9s s VAL 78 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1n9s s VAL 78 Cb 0.00 -2.99 -0.12 0.00 0.00 0.00 0.00 36.38 33.27 1n9s s VAL 78 CO 0.00 0.31 0.74 0.25 0.00 0.00 0.00 175.10 176.40 1n9s h LEU 79 N 8.23 -0.31 -7.67 3.92 5.85 -1.30 -3.45 115.31 120.58 1n9s h LEU 79 Ca -0.38 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.31 1n9s h LEU 79 Cb 1.17 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1n9s h LEU 79 CO 0.58 0.18 0.39 -0.72 -0.34 0.00 0.00 178.44 178.54 1n9s s TYR 80 N -3.35 -0.19 -0.01 1.25 -0.85 -1.20 -5.02 117.35 107.98 1n9s s TYR 80 Ca -0.10 -0.14 0.07 0.00 -0.52 0.00 0.00 57.07 56.37 1n9s s TYR 80 Cb 0.01 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.98 1n9s s TYR 80 CO 0.35 -0.93 -0.21 0.42 -1.52 0.00 0.00 175.55 173.66 1n9s s ILE 81 N -3.48 1.67 0.20 -3.49 1.01 -1.26 -1.89 121.20 113.97 1n9s s ILE 81 Ca 0.11 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1n9s s ILE 81 Cb -0.03 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1n9s s ILE 81 CO 0.02 0.46 -0.01 0.00 0.00 0.00 0.00 174.94 175.41 1n9s s ARG 82 N -0.52 1.24 -0.12 2.79 1.70 0.57 -4.96 118.95 119.65 1n9s s ARG 82 Ca 0.08 -1.61 -0.17 0.00 -0.47 0.00 0.00 55.73 53.56 1n9s s ARG 82 Cb -0.08 -0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 33.73 1n9s s ARG 82 CO -0.01 -0.08 0.44 -2.00 -1.08 0.00 0.00 175.30 172.57 1n9s s GLU 83 N -3.86 4.30 -0.07 3.89 2.12 -1.26 0.59 118.70 124.41 1n9s s GLU 83 Ca 0.26 0.38 -0.26 0.00 0.36 0.00 0.00 54.97 55.70 1n9s s GLU 83 Cb 0.05 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1n9s s GLU 83 CO 0.06 0.20 0.83 -0.51 -0.54 0.00 0.00 175.26 175.30 1n9s s LEU 84 N 0.50 4.29 -0.47 2.70 1.43 0.25 -4.85 118.68 122.53 1n9s s LEU 84 Ca 0.24 1.34 -0.35 0.00 -1.03 0.00 0.00 54.13 54.33 1n9s s LEU 84 Cb -0.15 -3.28 -0.13 0.00 0.03 0.00 0.00 46.19 42.66 1n9s s LEU 84 CO 0.09 -0.24 2.28 -0.81 0.23 0.00 0.00 176.35 177.90 1n9s n PRO 85 N 4.23 0.80 0.00 1.29 -0.04 -1.26 -4.77 135.00 135.24 1n9s n PRO 85 Ca 0.03 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1n9s n PRO 85 Cb 0.50 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73