#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9x s LYS 2 N 0.00 0.41 -0.41 0.00 1.02 -1.26 -5.07 119.74 114.43 2i9x s LYS 2 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.10 2i9x s LYS 2 Cb 0.00 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.51 2i9x s LYS 2 CO 0.00 -0.07 1.48 0.08 -0.92 0.00 0.00 175.35 175.92 2i9x s VAL 3 N -0.07 3.82 -0.98 3.17 1.01 -1.26 -0.99 120.40 125.10 2i9x s VAL 3 Ca 0.04 0.83 0.21 0.00 0.00 0.00 0.00 61.98 63.05 2i9x s VAL 3 Cb -0.04 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 2i9x s VAL 3 CO -0.07 -0.72 0.89 0.35 0.00 0.00 0.00 175.10 175.55 2i9x n THR 4 N 7.14 0.00 -3.63 3.92 -2.24 0.24 -4.94 114.28 114.77 2i9x n THR 4 Ca 0.17 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2i9x n THR 4 Cb 0.48 0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 2i9x n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i9x s ASP 5 N -3.02 -0.55 -0.06 3.42 2.15 -1.20 -4.96 116.67 112.44 2i9x s ASP 5 Ca 0.08 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.83 2i9x s ASP 5 Cb 0.16 0.75 0.02 0.00 -0.30 0.00 0.00 42.92 43.55 2i9x s ASP 5 CO 0.87 -0.42 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.72 2i9x s VAL 6 N -0.64 0.59 -0.11 1.11 1.01 -1.26 -1.28 120.40 119.81 2i9x s VAL 6 Ca -0.07 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2i9x s VAL 6 Cb -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2i9x s VAL 6 CO 0.05 0.26 -0.23 -0.13 0.00 0.00 0.00 175.10 175.06 2i9x s ARG 7 N 1.35 2.95 0.06 2.72 0.52 -0.03 -4.99 118.95 121.52 2i9x s ARG 7 Ca -0.04 -0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 54.26 2i9x s ARG 7 Cb -0.13 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.06 2i9x s ARG 7 CO -0.03 0.13 0.13 -0.48 0.02 0.00 0.00 175.30 175.07 2i9x s LEU 8 N 0.47 1.70 -0.17 2.53 0.05 -1.26 -0.26 118.68 121.73 2i9x s LEU 8 Ca -0.16 -0.62 0.01 0.00 0.05 0.00 0.00 54.13 53.41 2i9x s LEU 8 Cb -0.17 0.75 0.03 0.00 -2.05 0.00 0.00 46.19 44.75 2i9x s LEU 8 CO 0.06 -0.61 -0.15 -0.60 -0.55 0.00 0.00 176.35 174.50 2i9x s ARG 9 N -3.25 2.47 0.49 1.48 3.52 -0.69 -4.99 118.95 117.97 2i9x s ARG 9 Ca 0.00 -0.73 -0.22 0.00 -0.13 0.00 0.00 55.73 54.65 2i9x s ARG 9 Cb 0.02 -2.35 -0.07 0.00 -1.56 0.00 0.00 34.95 31.00 2i9x s ARG 9 CO -0.08 -0.28 1.14 0.15 -0.81 0.00 0.00 175.30 175.43 2i9x s LYS 10 N 1.39 3.65 -0.11 5.12 1.02 -1.26 -1.50 119.74 128.04 2i9x s LYS 10 Ca 0.03 1.68 0.01 0.00 0.02 0.00 0.00 55.97 57.72 2i9x s LYS 10 Cb -0.14 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2i9x s LYS 10 CO -0.11 -0.62 -0.16 0.42 -0.92 0.00 0.00 175.35 173.96 2i9x s ILE 11 N -1.65 2.75 -0.51 2.17 1.01 0.14 -4.92 121.20 120.21 2i9x s ILE 11 Ca 0.67 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 2i9x s ILE 11 Cb -0.26 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.13 2i9x s ILE 11 CO 0.31 0.54 0.76 0.00 0.00 0.00 0.00 174.94 176.55 2i9x s GLN 12 N 0.26 3.25 0.38 2.79 -2.07 -1.26 -4.75 119.66 118.26 2i9x s GLN 12 Ca -0.11 -0.51 -0.12 0.00 -1.82 0.00 0.00 55.36 52.80 2i9x s GLN 12 Cb -0.16 -4.04 0.04 0.00 -1.09 0.00 0.00 33.01 27.76 2i9x s GLN 12 CO 0.06 -1.27 0.72 0.95 -1.32 0.00 0.00 175.29 174.43 2i9x s THR 13 N 3.20 0.00 -0.85 3.63 -4.23 -1.26 -5.01 115.64 111.12 2i9x s THR 13 Ca 0.23 -1.14 0.17 0.00 -1.18 0.00 0.00 61.69 59.77 2i9x s THR 13 Cb -0.15 -2.87 0.64 0.00 1.34 0.00 0.00 72.50 71.45 2i9x s THR 13 CO 0.17 0.00 1.56 -0.90 -0.54 0.00 0.00 174.62 174.90 2i9x n ASP 14 N -1.48 4.45 -4.70 3.99 5.68 -1.26 -4.99 116.55 118.24 2i9x n ASP 14 Ca -0.06 -2.53 -0.29 0.00 -0.50 0.00 0.00 54.79 51.41 2i9x n ASP 14 Cb 0.60 -0.53 0.17 0.00 -1.14 0.00 0.00 41.12 40.22 2i9x n ASP 14 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2i9x s GLY 15 N -1.10 1.57 -0.86 6.12 0.00 -1.26 -5.17 107.32 106.62 2i9x s GLY 15 Ca 0.46 -0.42 -0.09 0.00 0.00 0.00 0.00 44.72 44.67 2i9x s GLY 15 CO 0.20 0.19 2.03 0.54 0.00 0.00 0.00 173.10 176.06 2i9x n ARG 16 N -4.08 1.89 0.00 2.90 1.74 -1.26 -4.87 116.66 112.98 2i9x n ARG 16 Ca 0.05 -1.51 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 2i9x n ARG 16 Cb 0.58 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2i9x n ARG 16 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2i9x n LYS 18 N 4.85 0.00 -3.52 5.56 4.76 0.84 -0.77 118.16 129.88 2i9x n LYS 18 Ca 0.44 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.72 2i9x n LYS 18 Cb 0.19 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.32 2i9x n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i9x s ALA 19 N -0.14 -1.79 -0.09 7.82 0.00 -1.17 0.29 121.76 126.68 2i9x s ALA 19 Ca 0.00 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 2i9x s ALA 19 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2i9x s ALA 19 CO 0.00 -0.40 0.04 -0.51 0.00 0.00 0.00 175.76 174.89 2i9x s LEU 20 N -1.33 3.81 -0.00 0.00 1.43 -0.56 -1.49 118.68 120.53 2i9x s LEU 20 Ca -0.08 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2i9x s LEU 20 Cb -0.00 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2i9x s LEU 20 CO 0.06 0.38 -0.03 -0.69 0.23 0.00 0.00 176.35 176.30 2i9x s VAL 21 N -0.94 0.24 -0.03 -1.59 1.01 0.25 -1.70 120.40 117.64 2i9x s VAL 21 Ca 0.14 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2i9x s VAL 21 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2i9x s VAL 21 CO 0.03 0.07 -0.25 -0.44 0.00 0.00 0.00 175.10 174.51 2i9x s SER 22 N -0.04 3.00 0.19 3.32 0.01 0.64 -1.65 113.70 119.17 2i9x s SER 22 Ca 0.01 -0.47 0.11 0.00 1.31 0.00 0.00 55.95 56.91 2i9x s SER 22 Cb -0.02 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 2i9x s SER 22 CO -0.00 0.29 -0.22 0.27 0.41 0.00 0.00 173.24 173.99 2i9x s ILE 23 N -0.46 2.45 -0.08 1.44 -4.36 -0.33 -0.85 121.20 119.01 2i9x s ILE 23 Ca 0.06 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 2i9x s ILE 23 Cb -0.11 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 2i9x s ILE 23 CO 0.00 -0.11 -0.22 -0.89 0.24 0.00 0.00 174.94 173.96 2i9x s THR 24 N -1.67 2.33 -0.18 8.37 2.01 -0.41 -0.65 115.64 125.44 2i9x s THR 24 Ca 0.21 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 2i9x s THR 24 Cb -0.08 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2i9x s THR 24 CO 0.10 0.56 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.83 2i9x s LEU 25 N 0.00 3.34 -1.34 4.42 1.43 0.47 -0.59 118.68 126.41 2i9x s LEU 25 Ca -0.07 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2i9x s LEU 25 Cb -0.15 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.33 2i9x s LEU 25 CO 0.05 0.12 0.55 0.47 0.23 0.00 0.00 176.35 177.76 2i9x n ASP 26 N 3.90 -3.57 -1.80 2.29 9.92 -0.16 -1.31 116.55 125.82 2i9x n ASP 26 Ca -0.17 -0.50 -0.14 0.00 -0.53 0.00 0.00 54.79 53.45 2i9x n ASP 26 Cb 0.52 -2.95 -0.04 0.00 -0.64 0.00 0.00 41.12 38.01 2i9x n ASP 26 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2i9x n GLU 27 N -3.84 -1.63 0.00 -1.24 1.02 -1.26 -4.74 120.64 108.95 2i9x n GLU 27 Ca 0.01 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 2i9x n GLU 27 Cb 0.53 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.80 2i9x n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i9x n ALA 28 N -0.51 1.26 -3.61 0.62 0.00 -0.42 -5.08 120.51 112.77 2i9x n ALA 28 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 2i9x n ALA 28 Cb 0.52 0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 2i9x n ALA 28 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2i9x s PHE 29 N -1.26 -0.15 -0.11 0.00 5.36 -1.02 -4.99 117.98 115.81 2i9x s PHE 29 Ca 0.00 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.40 2i9x s PHE 29 Cb 0.00 -0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.59 2i9x s PHE 29 CO 0.00 -0.14 -0.07 0.54 -1.46 0.00 0.00 175.22 174.09 2i9x s VAL 30 N 0.96 3.65 -0.14 3.12 0.11 -1.26 -0.40 120.40 126.44 2i9x s VAL 30 Ca -0.07 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2i9x s VAL 30 Cb -0.10 -2.53 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 2i9x s VAL 30 CO -0.05 0.55 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.51 2i9x s ILE 31 N -0.23 2.99 0.41 7.04 -1.09 0.17 -4.99 121.20 125.49 2i9x s ILE 31 Ca 0.03 -0.68 0.08 0.00 -2.23 0.00 0.00 60.65 57.85 2i9x s ILE 31 Cb -0.13 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 2i9x s ILE 31 CO 0.03 0.52 0.35 -1.00 -1.23 0.00 0.00 174.94 173.60 2i9x s HIS 32 N 0.44 2.71 -1.30 3.97 3.76 -1.26 -1.18 115.29 122.43 2i9x s HIS 32 Ca -0.10 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2i9x s HIS 32 Cb -0.16 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.42 2i9x s HIS 32 CO 0.05 -0.06 0.00 -3.47 -0.85 0.00 0.00 174.74 170.41 2i9x n ASP 33 N -1.50 -4.42 -4.75 1.40 2.03 -1.06 -4.47 116.55 103.78 2i9x n ASP 33 Ca 0.03 0.20 -0.31 0.00 0.52 0.00 0.00 54.79 55.22 2i9x n ASP 33 Cb 0.62 -3.27 0.10 0.00 -0.72 0.00 0.00 41.12 37.84 2i9x n ASP 33 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2i9x s LEU 34 N -3.30 3.06 0.01 -2.67 1.02 -0.66 -3.33 118.68 112.81 2i9x s LEU 34 Ca 0.00 1.92 -0.01 0.00 0.02 0.00 0.00 54.13 56.07 2i9x s LEU 34 Cb 0.00 -4.53 -0.01 0.00 0.02 0.00 0.00 46.19 41.67 2i9x s LEU 34 CO 0.00 -2.16 -0.00 0.00 0.02 0.00 0.00 176.35 174.21 2i9x s ARG 35 N -4.72 0.20 -0.11 1.70 3.03 -0.73 -0.58 118.95 117.73 2i9x s ARG 35 Ca 0.63 -0.33 -0.23 0.00 2.03 0.00 0.00 55.73 57.83 2i9x s ARG 35 Cb -0.19 0.07 -0.03 0.00 -1.03 0.00 0.00 34.95 33.77 2i9x s ARG 35 CO 0.54 -0.03 0.69 0.08 -1.13 0.00 0.00 175.30 175.45 2i9x s VAL 36 N -0.84 5.03 -0.04 4.99 1.01 -0.56 -0.50 120.40 129.49 2i9x s VAL 36 Ca -0.09 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.34 2i9x s VAL 36 Cb -0.06 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2i9x s VAL 36 CO -0.00 0.19 -0.24 -0.63 0.00 0.00 0.00 175.10 174.42 2i9x s ILE 37 N 1.22 1.92 -0.15 2.22 -1.09 0.30 -0.11 121.20 125.51 2i9x s ILE 37 Ca 0.35 -1.01 -0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2i9x s ILE 37 Cb -0.17 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.09 2i9x s ILE 37 CO 0.15 0.54 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.57 2i9x s GLU 38 N -0.26 3.29 0.30 2.79 2.12 0.05 -0.89 118.70 126.11 2i9x s GLU 38 Ca 0.00 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2i9x s GLU 38 Cb -0.12 -2.67 -0.06 0.00 0.26 0.00 0.00 34.13 31.54 2i9x s GLU 38 CO 0.02 0.06 0.05 0.20 -0.54 0.00 0.00 175.26 175.04 2i9x s GLY 39 N 0.74 1.94 0.31 -1.50 0.00 -1.05 -4.56 107.32 103.19 2i9x s GLY 39 Ca -0.06 -1.98 0.23 0.00 0.00 0.00 0.00 44.72 42.91 2i9x s GLY 39 CO 0.01 -1.77 1.70 0.70 0.00 0.00 0.00 173.10 173.74 2i9x n ASN 40 N -0.61 0.63 -0.04 1.64 3.02 -1.26 -1.82 115.26 116.82 2i9x n ASN 40 Ca -0.03 0.74 0.13 0.00 -0.03 0.00 0.00 54.58 55.39 2i9x n ASN 40 Cb 0.66 -0.84 0.43 0.00 -0.61 0.00 0.00 39.78 39.41 2i9x n ASN 40 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2i9x n SER 41 N -2.29 0.39 0.00 6.41 3.41 -1.26 -5.03 113.62 115.25 2i9x n SER 41 Ca -0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2i9x n SER 41 Cb 0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2i9x n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i9x n GLY 42 N 1.45 1.64 3.79 5.00 0.00 -0.76 -5.09 105.19 111.23 2i9x n GLY 42 Ca 0.08 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 2i9x n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i9x s LEU 43 N 0.00 4.49 0.22 0.99 1.43 -1.26 -2.54 118.68 122.01 2i9x s LEU 43 Ca 0.00 1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 2i9x s LEU 43 Cb 0.00 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 2i9x s LEU 43 CO 0.00 0.13 0.38 0.72 0.23 0.00 0.00 176.35 177.81 2i9x s PHE 44 N -1.31 0.53 -0.18 0.29 -0.71 -0.07 -5.00 117.98 111.54 2i9x s PHE 44 Ca 0.39 -0.86 -0.01 0.00 -1.04 0.00 0.00 56.93 55.41 2i9x s PHE 44 Cb -0.21 -0.00 -0.00 0.00 -1.21 0.00 0.00 43.02 41.60 2i9x s PHE 44 CO 0.24 -0.88 -0.13 0.08 -1.34 0.00 0.00 175.22 173.19 2i9x s VAL 45 N -4.04 2.76 0.00 -2.49 1.01 -1.26 -0.54 120.40 115.85 2i9x s VAL 45 Ca 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2i9x s VAL 45 Cb 0.02 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2i9x s VAL 45 CO 0.08 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.68 2i9x n ALA 46 N 4.33 0.00 -2.18 5.51 0.00 0.34 -4.94 120.51 123.57 2i9x n ALA 46 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 2i9x n ALA 46 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 2i9x n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i9x s PRO 48 N 4.20 4.26 0.11 0.00 0.04 -1.21 -1.78 135.00 140.62 2i9x s PRO 48 Ca 0.00 0.83 -0.05 0.00 0.04 0.00 0.00 61.00 61.82 2i9x s PRO 48 Cb 0.00 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2i9x s PRO 48 CO 0.00 0.55 0.12 -1.54 0.04 0.00 0.00 177.00 176.17 2i9x s SER 49 N -1.32 0.24 0.06 6.66 1.04 -1.26 -0.50 113.70 118.62 2i9x s SER 49 Ca 0.35 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.85 2i9x s SER 49 Cb -0.19 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2i9x s SER 49 CO 0.21 -0.74 -0.12 -1.59 0.98 0.00 0.00 173.24 171.98 2i9x s LYS 50 N -3.96 0.71 0.13 4.02 -2.85 -0.34 -4.85 119.74 112.61 2i9x s LYS 50 Ca 0.15 -0.87 -0.31 0.00 -1.00 0.00 0.00 55.97 53.93 2i9x s LYS 50 Cb 0.06 -0.64 -0.09 0.00 -2.06 0.00 0.00 37.83 35.11 2i9x s LYS 50 CO -0.04 0.14 1.48 0.50 0.10 0.00 0.00 175.35 177.53 2i9x s ARG 51 N -1.66 4.27 0.23 1.78 6.06 -1.26 -1.09 118.95 127.28 2i9x s ARG 51 Ca -0.05 2.21 0.05 0.00 -2.50 0.00 0.00 55.73 55.44 2i9x s ARG 51 Cb -0.10 -3.23 -0.03 0.00 0.06 0.00 0.00 34.95 31.65 2i9x s ARG 51 CO 0.02 -0.53 0.31 0.95 -2.50 0.00 0.00 175.30 173.55 2i9x s THR 52 N 1.22 5.08 0.38 4.11 -4.23 0.39 -4.95 115.64 117.65 2i9x s THR 52 Ca 0.67 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2i9x s THR 52 Cb -0.40 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.70 2i9x s THR 52 CO 0.31 -0.30 0.79 -2.65 -0.54 0.00 0.00 174.62 172.22 2i9x n PRO 53 N -1.24 0.02 0.00 3.99 -0.02 -1.26 -2.26 135.00 134.22 2i9x n PRO 53 Ca -0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2i9x n PRO 53 Cb 0.57 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2i9x n PRO 53 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2i9x n ASP 54 N -1.87 0.00 0.00 2.55 4.64 -1.26 -5.02 116.55 115.59 2i9x n ASP 54 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2i9x n ASP 54 Cb 0.79 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.87 2i9x n ASP 54 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2i9x n GLY 55 N 0.00 1.48 3.88 0.27 0.00 -0.96 -5.13 105.19 104.73 2i9x n GLY 55 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2i9x n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i9x s GLU 56 N 0.00 2.31 -0.09 1.61 -6.30 -1.26 -4.87 118.70 110.09 2i9x s GLU 56 Ca 0.00 -1.90 -0.02 0.00 -2.50 0.00 0.00 54.97 50.55 2i9x s GLU 56 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 34.13 31.95 2i9x s GLU 56 CO 0.00 -0.47 -0.00 -0.06 0.02 0.00 0.00 175.26 174.75 2i9x s PHE 57 N -2.69 3.15 0.04 5.30 0.08 -1.26 -0.46 117.98 122.14 2i9x s PHE 57 Ca 0.38 0.15 0.04 0.00 0.12 0.00 0.00 56.93 57.62 2i9x s PHE 57 Cb -0.02 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2i9x s PHE 57 CO 0.23 0.42 -0.12 1.03 -0.10 0.00 0.00 175.22 176.68 2i9x s ARG 58 N -0.75 0.76 0.23 0.44 0.52 -0.25 -4.93 118.95 114.96 2i9x s ARG 58 Ca 0.12 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 2i9x s ARG 58 Cb -0.12 -0.71 -0.10 0.00 0.52 0.00 0.00 34.95 34.55 2i9x s ARG 58 CO 0.02 0.17 1.39 -0.51 0.02 0.00 0.00 175.30 176.39 2i9x s ASP 59 N -1.21 6.75 0.14 0.23 1.01 -1.26 -1.20 116.67 121.14 2i9x s ASP 59 Ca -0.02 2.56 0.02 0.00 0.71 0.00 0.00 52.55 55.83 2i9x s ASP 59 Cb -0.08 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 2i9x s ASP 59 CO 0.01 -0.63 1.32 0.40 0.21 0.00 0.00 175.17 176.48 2i9x h ILE 60 N 3.61 1.54 -3.52 0.77 2.04 -1.12 -3.45 117.51 117.38 2i9x h ILE 60 Ca -0.45 -2.84 -0.21 0.00 1.00 0.00 0.00 64.86 62.36 2i9x h ILE 60 Cb 1.22 2.61 -0.27 0.00 -0.74 0.00 0.00 36.82 39.64 2i9x h ILE 60 CO 0.77 0.82 -0.62 0.00 0.00 0.00 0.00 178.15 179.13 2i9x s ALA 61 N -3.03 -0.22 -0.01 1.87 0.00 -1.26 -5.08 121.76 114.04 2i9x s ALA 61 Ca -0.02 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 2i9x s ALA 61 Cb 0.10 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.16 2i9x s ALA 61 CO 0.83 -0.04 0.76 -3.38 0.00 0.00 0.00 175.76 173.94 2i9x s HIS 62 N 0.04 -0.51 0.67 0.00 -3.43 -1.26 -4.57 115.29 106.22 2i9x s HIS 62 Ca -0.00 0.65 -0.14 0.00 -0.80 0.00 0.00 55.06 54.77 2i9x s HIS 62 Cb -0.01 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 2i9x s HIS 62 CO 0.00 -0.60 1.10 -1.25 -2.00 0.00 0.00 174.74 171.98 2i9x s PRO 63 N -2.18 2.80 0.02 -0.38 0.04 -1.26 -4.97 135.00 129.07 2i9x s PRO 63 Ca -0.03 1.30 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 2i9x s PRO 63 Cb -0.01 -1.96 -0.25 0.00 0.04 0.00 0.00 34.50 32.33 2i9x s PRO 63 CO -0.01 -1.23 1.09 0.82 0.04 0.00 0.00 177.00 177.71 2i9x h ILE 64 N -0.13 1.40 -3.03 0.56 2.04 -2.04 -3.46 117.51 112.85 2i9x h ILE 64 Ca -0.46 -2.20 -0.62 0.00 1.00 0.00 0.00 64.86 62.58 2i9x h ILE 64 Cb 1.24 2.64 -0.09 0.00 -0.74 0.00 0.00 36.82 39.86 2i9x h ILE 64 CO 0.54 0.65 -0.44 0.20 0.00 0.00 0.00 178.15 179.10 2i9x s ASN 65 N -6.94 6.35 0.52 1.72 -0.87 -1.26 -4.99 114.94 109.47 2i9x s ASN 65 Ca -0.12 0.41 0.21 0.00 -1.57 0.00 0.00 52.86 51.79 2i9x s ASN 65 Cb 0.04 -2.11 1.37 0.00 -0.02 0.00 0.00 41.25 40.53 2i9x s ASN 65 CO 0.85 0.26 2.11 0.77 -2.57 0.00 0.00 177.10 178.53 2i9x h SER 66 N 5.92 0.00 0.00 -1.22 4.64 -2.04 -2.92 113.55 117.93 2i9x h SER 66 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2i9x h SER 66 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2i9x h SER 66 CO 0.68 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 2i9x n ASP 67 N -4.12 0.00 0.00 4.97 5.68 -1.26 -1.66 116.55 120.16 2i9x n ASP 67 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2i9x n ASP 67 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2i9x n ASP 67 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2i9x n ARG 69 N 0.77 0.00 -0.26 0.11 0.63 -1.10 -1.38 116.66 115.44 2i9x n ARG 69 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2i9x n ARG 69 Cb 0.00 0.00 0.05 0.00 0.45 0.00 0.00 32.46 32.96 2i9x n ARG 69 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2i9x h GLN 70 N 0.00 1.08 -0.40 -0.14 4.15 -1.63 -0.75 115.11 117.43 2i9x h GLN 70 Ca 0.00 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.26 2i9x h GLN 70 Cb 0.00 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 2i9x h GLN 70 CO 0.00 0.90 0.15 1.49 -1.93 0.00 0.00 178.83 179.44 2i9x h GLU 71 N 1.04 0.31 -0.39 1.69 4.81 -1.49 0.14 114.58 120.68 2i9x h GLU 71 Ca 0.24 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2i9x h GLU 71 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2i9x h GLU 71 CO -0.02 0.20 0.24 0.82 -0.73 0.00 0.00 179.01 179.53 2i9x h ILE 72 N 0.32 1.12 -0.38 2.32 2.04 -1.81 -1.88 117.51 119.24 2i9x h ILE 72 Ca 0.18 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2i9x h ILE 72 Cb 0.16 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2i9x h ILE 72 CO -0.18 0.12 0.23 -0.61 0.00 0.00 0.00 178.15 177.71 2i9x h GLN 73 N 0.51 0.52 -0.49 2.37 4.15 -0.61 0.40 115.11 121.97 2i9x h GLN 73 Ca 0.14 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.52 2i9x h GLN 73 Cb -0.01 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 2i9x h GLN 73 CO -0.03 0.40 0.32 -0.44 -1.93 0.00 0.00 178.83 177.15 2i9x h ASP 74 N 0.50 0.55 -0.36 -0.69 3.32 -0.63 -2.99 116.42 116.11 2i9x h ASP 74 Ca 0.14 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2i9x h ASP 74 Cb 0.01 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2i9x h ASP 74 CO -0.03 0.40 0.11 0.00 -1.72 0.00 0.00 179.24 178.00 2i9x h ALA 75 N 1.18 0.48 0.00 3.45 0.00 -0.93 -0.96 119.26 122.48 2i9x h ALA 75 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2i9x h ALA 75 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2i9x h ALA 75 CO -0.04 0.12 0.00 0.28 0.00 0.00 0.00 179.25 179.61 2i9x n VAL 76 N -4.63 0.16 0.00 0.00 0.31 0.09 -2.70 118.33 111.56 2i9x n VAL 76 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2i9x n VAL 76 Cb 0.18 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 2i9x n VAL 76 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2i9x n LYS 78 N 0.57 0.00 -0.14 5.55 4.81 -0.37 -0.65 118.16 127.93 2i9x n LYS 78 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2i9x n LYS 78 Cb 0.12 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.24 2i9x n LYS 78 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2i9x h VAL 79 N 0.00 1.26 -0.42 3.15 2.07 -1.78 -2.55 116.25 117.98 2i9x h VAL 79 Ca 0.00 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.34 2i9x h VAL 79 Cb 0.00 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2i9x h VAL 79 CO 0.00 0.43 0.17 0.22 0.02 0.00 0.00 177.57 178.41 2i9x h TYR 80 N 0.82 0.31 -0.13 1.57 3.20 -1.18 -1.61 116.97 119.95 2i9x h TYR 80 Ca 0.13 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 2i9x h TYR 80 Cb 0.63 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2i9x h TYR 80 CO 0.04 0.14 -0.13 -0.44 -1.64 0.00 0.00 178.16 176.13 2i9x h ASP 81 N 0.36 0.19 1.20 -2.11 5.19 -1.78 -2.07 116.42 117.40 2i9x h ASP 81 Ca 0.19 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2i9x h ASP 81 Cb 0.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2i9x h ASP 81 CO -0.17 0.34 0.00 -0.62 -3.12 0.00 0.00 179.24 175.68 2i9x n GLU 82 N -4.29 0.21 -3.17 3.56 1.02 -0.67 -4.84 120.64 112.45 2i9x n GLU 82 Ca -0.01 0.25 -0.39 0.00 -0.02 0.00 0.00 57.16 56.99 2i9x n GLU 82 Cb 0.26 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 2i9x n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2i9x s THR 83 N -3.15 5.08 -1.36 2.62 2.01 -0.78 -5.09 115.64 114.97 2i9x s THR 83 Ca 0.09 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.24 2i9x s THR 83 Cb 0.12 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2i9x s THR 83 CO 0.52 0.19 0.34 0.47 -0.69 0.00 0.00 174.62 175.46