#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9x n ALA 0 N 0.00 0.00 -2.73 5.20 0.00 -1.26 -4.91 120.51 116.81 2i9x n ALA 0 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2i9x n ALA 0 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2i9x n ALA 0 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2i9x s LYS 2 N 3.93 0.69 -0.52 0.00 3.01 -1.26 -5.15 119.74 120.45 2i9x s LYS 2 Ca 0.00 -0.29 -0.28 0.00 -1.01 0.00 0.00 55.97 54.39 2i9x s LYS 2 Cb 0.00 -0.67 0.01 0.00 -1.01 0.00 0.00 37.83 36.17 2i9x s LYS 2 CO 0.00 0.17 1.42 0.08 0.51 0.00 0.00 175.35 177.53 2i9x s VAL 3 N -0.15 3.81 -0.93 3.17 1.01 -1.26 -0.72 120.40 125.34 2i9x s VAL 3 Ca 0.03 0.74 0.23 0.00 0.00 0.00 0.00 61.98 62.97 2i9x s VAL 3 Cb -0.04 -4.36 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 2i9x s VAL 3 CO -0.00 -1.04 1.08 0.35 0.00 0.00 0.00 175.10 175.49 2i9x n THR 4 N 6.94 0.02 -3.67 3.92 -2.24 0.74 -4.91 114.28 115.08 2i9x n THR 4 Ca 0.14 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.74 2i9x n THR 4 Cb 0.49 0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 69.26 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 -3.15 -0.52 -0.05 3.42 2.15 -1.19 -4.97 116.67 112.36 2i9x s ASP 5 Ca 0.08 0.88 0.01 0.00 0.43 0.00 0.00 52.55 53.95 2i9x s ASP 5 Cb 0.16 0.89 0.02 0.00 -0.30 0.00 0.00 42.92 43.70 2i9x s ASP 5 CO 0.80 -0.30 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.77 2i9x s VAL 6 N -0.20 0.58 -0.16 1.11 1.01 -1.26 -0.95 120.40 120.53 2i9x s VAL 6 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2i9x s VAL 6 Cb -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2i9x s VAL 6 CO 0.03 0.24 -0.16 -0.13 0.00 0.00 0.00 175.10 175.08 2i9x s ARG 7 N 0.97 3.19 -0.01 2.72 1.81 0.13 -5.00 118.95 122.77 2i9x s ARG 7 Ca -0.10 -0.76 0.01 0.00 -1.72 0.00 0.00 55.73 53.16 2i9x s ARG 7 Cb -0.14 -2.61 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2i9x s ARG 7 CO -0.00 -0.00 -0.03 -1.17 -0.68 0.00 0.00 175.30 173.42 2i9x s LEU 8 N 0.86 1.81 -0.16 2.53 0.20 -1.26 -0.36 118.68 122.29 2i9x s LEU 8 Ca -0.05 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.72 2i9x s LEU 8 Cb -0.15 -0.20 0.03 0.00 -0.43 0.00 0.00 46.19 45.44 2i9x s LEU 8 CO -0.01 0.01 -0.11 -0.60 -0.29 0.00 0.00 176.35 175.35 2i9x s ARG 9 N 0.18 1.97 0.39 1.98 3.52 -0.27 -5.00 118.95 121.72 2i9x s ARG 9 Ca -0.02 -0.59 -0.25 0.00 -0.13 0.00 0.00 55.73 54.75 2i9x s ARG 9 Cb -0.04 -2.10 -0.09 0.00 -1.56 0.00 0.00 34.95 31.16 2i9x s ARG 9 CO -0.00 -0.33 1.10 0.15 -0.81 0.00 0.00 175.30 175.41 2i9x s LYS 10 N 1.52 4.15 -0.08 5.12 1.02 -1.26 -1.35 119.74 128.86 2i9x s LYS 10 Ca 0.03 1.67 0.03 0.00 0.02 0.00 0.00 55.97 57.72 2i9x s LYS 10 Cb -0.14 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2i9x s LYS 10 CO -0.09 -0.19 -0.18 0.42 -0.92 0.00 0.00 175.35 174.39 2i9x s ILE 11 N -1.51 2.72 -0.25 2.17 1.01 -0.01 -4.92 121.20 120.42 2i9x s ILE 11 Ca 0.56 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2i9x s ILE 11 Cb -0.27 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2i9x s ILE 11 CO 0.33 0.56 0.10 0.00 0.00 0.00 0.00 174.94 175.94 2i9x s GLN 12 N -0.21 3.79 -0.05 2.79 -2.07 -1.26 -4.69 119.66 117.97 2i9x s GLN 12 Ca -0.01 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 52.81 2i9x s GLN 12 Cb -0.13 -3.40 0.12 0.00 -1.09 0.00 0.00 33.01 28.50 2i9x s GLN 12 CO 0.03 -0.11 1.22 -0.08 -1.32 0.00 0.00 175.29 175.04 2i9x s THR 13 N 1.45 0.00 -0.38 3.63 -1.32 -1.26 -5.00 115.64 112.77 2i9x s THR 13 Ca 0.06 -0.20 0.25 0.00 -1.21 0.00 0.00 61.69 60.60 2i9x s THR 13 Cb -0.15 -1.71 0.34 0.00 -1.51 0.00 0.00 72.50 69.47 2i9x s THR 13 CO 0.05 0.00 1.71 0.44 -2.21 0.00 0.00 174.62 174.61 2i9x h ASP 14 N 2.00 0.00 -3.27 8.08 3.45 -2.06 -3.47 116.42 121.14 2i9x h ASP 14 Ca -0.24 0.00 -0.41 0.00 0.43 0.00 0.00 57.03 56.81 2i9x h ASP 14 Cb 1.20 0.00 0.20 0.00 -0.56 0.00 0.00 39.33 40.17 2i9x h ASP 14 CO 0.27 0.00 0.00 -0.83 -1.57 0.00 0.00 179.24 177.11 2i9x s GLY 15 N -4.10 1.50 -1.31 2.75 0.00 -1.26 -5.15 107.32 99.75 2i9x s GLY 15 Ca 0.06 -0.71 -0.10 0.00 0.00 0.00 0.00 44.72 43.98 2i9x s GLY 15 CO 0.63 0.19 1.93 0.54 0.00 0.00 0.00 173.10 176.39 2i9x n ARG 16 N -5.15 3.53 0.00 2.90 1.74 -1.26 -4.93 116.66 113.49 2i9x n ARG 16 Ca 0.10 -3.40 0.00 0.00 -0.77 0.00 0.00 57.85 53.78 2i9x n ARG 16 Cb 0.59 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 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 4.13 0.00 -3.56 5.56 4.76 0.34 -0.86 118.16 128.52 2i9x n LYS 18 Ca 0.42 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2i9x n LYS 18 Cb 0.36 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.50 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 0.00 -1.89 -0.11 7.82 0.00 -1.18 -0.83 121.76 125.56 2i9x s ALA 19 Ca 0.00 1.51 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 2i9x s ALA 19 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2i9x s ALA 19 CO 0.00 -0.33 0.00 -1.17 0.00 0.00 0.00 175.76 174.26 2i9x s LEU 20 N -1.15 3.56 -0.01 0.00 2.96 -0.46 -1.23 118.68 122.35 2i9x s LEU 20 Ca -0.04 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2i9x s LEU 20 Cb -0.00 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.86 2i9x s LEU 20 CO 0.04 0.31 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.64 2i9x s VAL 21 N -0.46 0.38 -0.05 1.68 1.01 0.36 -1.11 120.40 122.22 2i9x s VAL 21 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.97 2i9x s VAL 21 Cb -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2i9x s VAL 21 CO 0.02 0.13 -0.21 -0.44 0.00 0.00 0.00 175.10 174.60 2i9x s SER 22 N 0.21 3.41 0.19 3.32 0.01 0.51 -0.84 113.70 120.52 2i9x s SER 22 Ca -0.02 -0.39 0.11 0.00 1.31 0.00 0.00 55.95 56.96 2i9x s SER 22 Cb -0.06 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2i9x s SER 22 CO -0.00 0.30 -0.22 0.27 0.41 0.00 0.00 173.24 173.99 2i9x s ILE 23 N -0.46 2.23 -0.06 1.44 -4.36 0.09 -0.69 121.20 119.39 2i9x s ILE 23 Ca 0.05 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 2i9x s ILE 23 Cb -0.12 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 2i9x s ILE 23 CO 0.01 -0.19 -0.24 -0.89 0.24 0.00 0.00 174.94 173.88 2i9x s THR 24 N -1.83 1.95 -0.20 8.37 2.01 -0.13 -1.11 115.64 124.71 2i9x s THR 24 Ca 0.20 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2i9x s THR 24 Cb -0.07 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2i9x s THR 24 CO 0.09 0.54 0.08 -0.76 -0.69 0.00 0.00 174.62 173.89 2i9x s LEU 25 N -0.04 3.86 -1.81 4.42 1.43 0.60 -0.19 118.68 126.96 2i9x s LEU 25 Ca -0.06 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 2i9x s LEU 25 Cb -0.14 -1.99 0.21 0.00 0.03 0.00 0.00 46.19 44.29 2i9x s LEU 25 CO 0.04 0.14 0.68 0.47 0.23 0.00 0.00 176.35 177.92 2i9x n ASP 26 N 3.75 -2.48 -2.06 2.29 8.00 0.11 -0.82 116.55 125.33 2i9x n ASP 26 Ca -0.16 -1.14 -0.18 0.00 0.71 0.00 0.00 54.79 54.02 2i9x n ASP 26 Cb 0.52 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.12 39.49 2i9x n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i9x n GLU 27 N -4.19 -1.68 0.00 -1.24 1.02 -1.26 -4.72 120.64 108.57 2i9x n GLU 27 Ca 0.10 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.19 2i9x n GLU 27 Cb 0.47 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.42 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 -0.84 0.44 -3.44 0.62 0.00 -0.00 -5.10 120.51 112.18 2i9x n ALA 28 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 2i9x n ALA 28 Cb 0.63 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.49 -0.00 -0.06 0.00 2.19 -0.88 -4.98 117.98 113.76 2i9x s PHE 29 Ca 0.00 0.13 0.03 0.00 0.33 0.00 0.00 56.93 57.42 2i9x s PHE 29 Cb 0.00 -0.14 -0.02 0.00 -1.31 0.00 0.00 43.02 41.55 2i9x s PHE 29 CO 0.00 -0.07 -0.14 0.08 1.83 0.00 0.00 175.22 176.92 2i9x s VAL 30 N 0.69 3.08 -0.09 3.12 1.01 -1.26 -0.29 120.40 126.66 2i9x s VAL 30 Ca -0.06 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2i9x s VAL 30 Cb -0.08 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2i9x s VAL 30 CO -0.02 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 2i9x s ILE 31 N -0.60 1.33 0.33 2.22 1.09 -0.27 -5.00 121.20 120.30 2i9x s ILE 31 Ca 0.09 -0.57 0.07 0.00 -1.10 0.00 0.00 60.65 59.14 2i9x s ILE 31 Cb -0.11 -1.21 -0.02 0.00 -1.06 0.00 0.00 42.46 40.05 2i9x s ILE 31 CO 0.01 0.40 0.34 -1.00 -0.10 0.00 0.00 174.94 174.60 2i9x s HIS 32 N 0.82 2.98 -1.34 3.97 3.76 -1.26 -0.73 115.29 123.48 2i9x s HIS 32 Ca -0.11 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2i9x s HIS 32 Cb -0.15 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2i9x s HIS 32 CO 0.02 0.14 0.00 -0.25 -0.85 0.00 0.00 174.74 173.80 2i9x n ASP 33 N -1.44 -4.57 -4.72 1.40 8.00 -0.86 -4.51 116.55 109.85 2i9x n ASP 33 Ca -0.02 0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 2i9x n ASP 33 Cb 0.59 -3.64 0.11 0.00 -0.02 0.00 0.00 41.12 38.16 2i9x n ASP 33 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i9x s LEU 34 N -4.07 3.13 -0.04 0.64 1.02 -0.02 -3.51 118.68 115.84 2i9x s LEU 34 Ca 0.00 2.14 0.00 0.00 0.02 0.00 0.00 54.13 56.30 2i9x s LEU 34 Cb 0.00 -4.56 0.03 0.00 0.02 0.00 0.00 46.19 41.67 2i9x s LEU 34 CO 0.00 -2.37 0.00 -0.13 0.02 0.00 0.00 176.35 173.87 2i9x s ARG 35 N -4.36 0.36 -0.15 1.70 0.52 -0.68 -0.48 118.95 115.85 2i9x s ARG 35 Ca 0.68 0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 55.73 2i9x s ARG 35 Cb -0.23 -0.57 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 2i9x s ARG 35 CO 0.51 -0.16 0.80 0.08 0.02 0.00 0.00 175.30 176.55 2i9x s VAL 36 N 1.17 4.92 -0.05 3.52 1.01 -0.36 0.05 120.40 130.66 2i9x s VAL 36 Ca -0.08 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.54 2i9x s VAL 36 Cb -0.13 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2i9x s VAL 36 CO -0.02 0.07 -0.24 -0.63 0.00 0.00 0.00 175.10 174.28 2i9x s ILE 37 N 1.92 1.95 -0.61 2.22 -1.09 0.29 -0.50 121.20 125.38 2i9x s ILE 37 Ca 0.38 -1.02 -0.27 0.00 -2.23 0.00 0.00 60.65 57.50 2i9x s ILE 37 Cb -0.17 -1.65 0.03 0.00 -1.58 0.00 0.00 42.46 39.10 2i9x s ILE 37 CO 0.13 0.55 1.18 -0.70 -1.23 0.00 0.00 174.94 174.87 2i9x s GLU 38 N -0.21 3.42 0.61 2.79 2.12 -0.04 -1.07 118.70 126.32 2i9x s GLU 38 Ca -0.01 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.42 2i9x s GLU 38 Cb -0.13 -4.06 0.08 0.00 0.26 0.00 0.00 34.13 30.29 2i9x s GLU 38 CO 0.03 -1.77 0.85 0.20 -0.54 0.00 0.00 175.26 174.03 2i9x s GLY 39 N 3.13 1.79 0.51 -1.50 0.00 -0.61 -4.89 107.32 105.75 2i9x s GLY 39 Ca 0.40 -1.74 0.19 0.00 0.00 0.00 0.00 44.72 43.57 2i9x s GLY 39 CO 0.22 -1.30 2.10 -0.57 0.00 0.00 0.00 173.10 173.55 2i9x h ASN 40 N -0.09 0.00 -0.47 1.64 -1.24 -2.01 -2.46 115.58 110.95 2i9x h ASN 40 Ca -0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2i9x h ASN 40 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2i9x h ASN 40 CO 0.44 0.08 0.00 -1.20 -1.29 0.00 0.00 177.43 175.46 2i9x n SER 41 N -4.22 3.85 0.00 1.15 7.64 -1.26 -5.07 113.62 115.71 2i9x n SER 41 Ca -0.03 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.49 2i9x n SER 41 Cb 0.17 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2i9x n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i9x n GLY 42 N 0.61 1.20 3.77 0.23 0.00 -0.93 -5.07 105.19 105.00 2i9x n GLY 42 Ca 0.20 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 4.17 0.27 0.99 1.43 -1.26 -1.57 118.68 122.71 2i9x s LEU 43 Ca 0.00 2.27 -0.10 0.00 -1.03 0.00 0.00 54.13 55.27 2i9x s LEU 43 Cb 0.00 -4.08 -0.00 0.00 0.03 0.00 0.00 46.19 42.14 2i9x s LEU 43 CO 0.00 -0.65 0.46 0.72 0.23 0.00 0.00 176.35 177.10 2i9x s PHE 44 N -1.48 0.58 -0.25 0.29 -0.71 -0.23 -4.90 117.98 111.28 2i9x s PHE 44 Ca 0.58 -0.91 -0.06 0.00 -1.04 0.00 0.00 56.93 55.50 2i9x s PHE 44 Cb -0.28 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.59 2i9x s PHE 44 CO 0.36 -1.01 0.04 0.08 -1.34 0.00 0.00 175.22 173.34 2i9x s VAL 45 N -3.77 3.97 0.00 -2.49 1.01 -1.26 -0.55 120.40 117.31 2i9x s VAL 45 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2i9x s VAL 45 Cb -0.00 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2i9x s VAL 45 CO 0.12 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.54 2i9x n ALA 46 N 4.88 0.00 -2.65 5.51 0.00 0.11 -4.93 120.51 123.42 2i9x n ALA 46 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 2i9x n ALA 46 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 2.68 4.43 -0.18 0.00 0.04 -1.23 -1.69 135.00 139.04 2i9x s PRO 48 Ca 0.00 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 2i9x s PRO 48 Cb 0.00 -3.42 0.06 0.00 0.04 0.00 0.00 34.50 31.17 2i9x s PRO 48 CO 0.00 0.13 0.02 0.45 0.04 0.00 0.00 177.00 177.64 2i9x s SER 49 N 0.57 2.81 -0.24 6.66 0.15 -1.26 -1.01 113.70 121.38 2i9x s SER 49 Ca 0.36 -0.75 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 2i9x s SER 49 Cb -0.18 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2i9x s SER 49 CO 0.18 -0.28 0.18 -0.75 1.20 0.00 0.00 173.24 173.77 2i9x s LYS 50 N 1.83 4.06 0.32 5.44 2.20 0.12 -4.84 119.74 128.86 2i9x s LYS 50 Ca -0.00 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 2i9x s LYS 50 Cb -0.17 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 2i9x s LYS 50 CO -0.08 0.01 1.40 0.50 -0.36 0.00 0.00 175.35 176.83 2i9x s ARG 51 N 1.20 4.26 0.42 4.03 3.52 -1.26 -0.77 118.95 130.35 2i9x s ARG 51 Ca 0.08 2.35 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 2i9x s ARG 51 Cb -0.14 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 2i9x s ARG 51 CO 0.06 -0.36 0.65 0.95 -0.81 0.00 0.00 175.30 175.79 2i9x s THR 52 N -0.76 4.60 -1.82 4.11 -4.23 0.59 -4.92 115.64 113.21 2i9x s THR 52 Ca 0.53 -0.35 0.16 0.00 -1.18 0.00 0.00 61.69 60.85 2i9x s THR 52 Cb -0.42 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.11 2i9x s THR 52 CO 0.52 -0.52 1.38 -0.81 -0.54 0.00 0.00 174.62 174.65 2i9x n PRO 53 N -2.01 0.41 -0.36 3.99 -0.04 -1.26 -2.29 135.00 133.44 2i9x n PRO 53 Ca -0.01 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 2i9x n PRO 53 Cb 0.57 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.74 2i9x n PRO 53 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2i9x n ASP 54 N -1.09 3.17 0.00 3.54 4.64 -1.26 -4.98 116.55 120.56 2i9x n ASP 54 Ca 0.10 -3.15 0.00 0.00 -1.38 0.00 0.00 54.79 50.37 2i9x n ASP 54 Cb 0.08 -0.52 0.00 0.00 -1.04 0.00 0.00 41.12 39.64 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 -0.90 0.65 0.45 0.27 0.00 -0.97 -5.04 105.19 99.65 2i9x n GLY 55 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 2i9x n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i9x n GLU 56 N -2.70 1.28 -4.08 1.61 1.02 -1.26 -4.89 120.64 111.62 2i9x n GLU 56 Ca 0.00 -0.40 -0.13 0.00 -0.02 0.00 0.00 57.16 56.61 2i9x n GLU 56 Cb 0.00 0.02 -0.12 0.00 -0.02 0.00 0.00 31.44 31.33 2i9x n GLU 56 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2i9x s PHE 57 N -0.07 0.66 -0.11 -0.32 0.40 -1.26 -0.30 117.98 116.97 2i9x s PHE 57 Ca 0.05 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 2i9x s PHE 57 Cb -0.00 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.14 2i9x s PHE 57 CO 0.03 -0.07 -0.16 1.03 0.70 0.00 0.00 175.22 176.74 2i9x s ARG 58 N -1.41 2.33 -0.20 0.44 1.81 0.05 -4.91 118.95 117.07 2i9x s ARG 58 Ca -0.08 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.03 2i9x s ARG 58 Cb -0.09 -1.96 0.00 0.00 -0.45 0.00 0.00 34.95 32.45 2i9x s ARG 58 CO 0.00 -0.05 1.08 -0.51 -0.68 0.00 0.00 175.30 175.15 2i9x s ASP 59 N 0.94 7.09 0.24 0.23 1.11 -1.26 -0.71 116.67 124.31 2i9x s ASP 59 Ca -0.07 1.47 0.17 0.00 0.18 0.00 0.00 52.55 54.30 2i9x s ASP 59 Cb -0.15 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.34 2i9x s ASP 59 CO -0.01 -0.66 1.26 0.40 1.18 0.00 0.00 175.17 177.34 2i9x h ILE 60 N 5.40 0.56 -2.66 0.77 1.08 -1.47 -3.47 117.51 117.72 2i9x h ILE 60 Ca -0.22 -1.86 -0.11 0.00 -0.39 0.00 0.00 64.86 62.27 2i9x h ILE 60 Cb 1.08 2.16 -0.24 0.00 -3.07 0.00 0.00 36.82 36.75 2i9x h ILE 60 CO 0.96 0.32 -0.22 0.00 -0.69 0.00 0.00 178.15 178.52 2i9x s ALA 61 N -3.03 -1.09 0.01 1.87 0.00 -1.26 -5.06 121.76 113.20 2i9x s ALA 61 Ca 0.02 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2i9x s ALA 61 Cb 0.08 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2i9x s ALA 61 CO 0.76 -0.22 0.23 -1.01 0.00 0.00 0.00 175.76 175.52 2i9x s HIS 62 N 0.47 -0.06 0.57 0.00 3.76 -1.26 -4.57 115.29 114.20 2i9x s HIS 62 Ca -0.02 0.01 -0.19 0.00 -0.15 0.00 0.00 55.06 54.72 2i9x s HIS 62 Cb -0.04 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 2i9x s HIS 62 CO -0.02 -0.38 1.16 -1.25 -0.85 0.00 0.00 174.74 173.41 2i9x s PRO 63 N -1.68 3.15 -0.02 8.40 0.04 -1.26 -4.96 135.00 138.66 2i9x s PRO 63 Ca -0.12 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.66 2i9x s PRO 63 Cb -0.05 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2i9x s PRO 63 CO 0.01 -1.03 0.98 0.44 0.04 0.00 0.00 177.00 177.44 2i9x n ILE 64 N -1.49 1.05 -4.06 0.56 -5.35 -1.26 -4.92 119.36 103.88 2i9x n ILE 64 Ca 0.12 -1.12 -0.10 0.00 -0.27 0.00 0.00 62.75 61.39 2i9x n ILE 64 Cb 0.50 0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 38.73 2i9x n ILE 64 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2i9x s ASN 65 N -1.25 0.19 0.18 7.28 2.20 -1.26 -5.07 114.94 117.21 2i9x s ASN 65 Ca 0.06 -1.05 -0.10 0.00 -0.94 0.00 0.00 52.86 50.82 2i9x s ASN 65 Cb 0.05 0.36 0.07 0.00 -2.00 0.00 0.00 41.25 39.73 2i9x s ASN 65 CO 0.01 -0.80 1.66 -1.28 -2.94 0.00 0.00 177.10 173.74 2i9x h SER 66 N 2.73 0.99 0.00 3.54 0.87 -1.96 -1.14 113.55 118.58 2i9x h SER 66 Ca -0.34 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2i9x h SER 66 Cb 1.21 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2i9x h SER 66 CO 0.54 1.02 0.00 0.47 -0.53 0.00 0.00 176.83 178.33 2i9x n ASP 67 N -4.26 0.17 0.00 6.23 9.92 -1.26 -0.85 116.55 126.49 2i9x n ASP 67 Ca 0.03 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 2i9x n ASP 67 Cb 0.30 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 2i9x n ASP 67 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2i9x n ARG 69 N 0.46 0.00 -0.06 -1.24 0.63 -0.43 -1.11 116.66 114.91 2i9x n ARG 69 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2i9x n ARG 69 Cb 0.04 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.11 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 0.67 -0.50 -0.14 5.75 -1.26 -2.56 115.11 117.08 2i9x h GLN 70 Ca 0.00 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2i9x h GLN 70 Cb 0.00 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2i9x h GLN 70 CO 0.00 0.78 0.27 1.49 -2.65 0.00 0.00 178.83 178.73 2i9x h GLU 71 N 0.61 0.69 -0.13 1.69 4.57 -1.36 0.15 114.58 120.81 2i9x h GLU 71 Ca 0.10 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2i9x h GLU 71 Cb 0.58 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2i9x h GLU 71 CO 0.04 0.54 0.07 0.82 -1.18 0.00 0.00 179.01 179.30 2i9x h ILE 72 N 0.66 1.09 0.27 2.32 2.04 -1.80 0.73 117.51 122.82 2i9x h ILE 72 Ca 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2i9x h ILE 72 Cb 0.05 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2i9x h ILE 72 CO -0.03 0.08 -0.13 1.56 0.00 0.00 0.00 178.15 179.63 2i9x h GLN 73 N 0.11 -0.35 -0.04 2.37 1.08 -1.28 -2.08 115.11 114.92 2i9x h GLN 73 Ca 0.04 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2i9x h GLN 73 Cb 0.07 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2i9x h GLN 73 CO -0.01 -0.22 -0.02 -0.44 -0.95 0.00 0.00 178.83 177.20 2i9x h ASP 74 N -0.39 -0.06 -0.69 1.46 3.32 -0.66 -3.15 116.42 116.25 2i9x h ASP 74 Ca -0.04 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2i9x h ASP 74 Cb 0.30 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2i9x h ASP 74 CO 0.06 -0.02 0.18 0.00 -1.72 0.00 0.00 179.24 177.73 2i9x h ALA 75 N 1.03 0.91 0.00 3.45 0.00 -0.81 -0.50 119.26 123.35 2i9x h ALA 75 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2i9x h ALA 75 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2i9x h ALA 75 CO -0.05 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.10 2i9x n VAL 76 N -4.27 0.31 0.00 0.00 0.31 -0.79 -3.01 118.33 110.88 2i9x n VAL 76 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2i9x n VAL 76 Cb 0.25 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.35 0.00 -0.06 5.55 4.81 -0.20 -0.82 118.16 127.80 2i9x n LYS 78 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2i9x n LYS 78 Cb 0.26 -0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.25 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 1.31 -0.59 3.15 2.07 -1.80 -2.57 116.25 117.83 2i9x h VAL 79 Ca 0.00 -1.72 0.10 0.00 0.82 0.00 0.00 66.70 65.91 2i9x h VAL 79 Cb 0.00 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 2i9x h VAL 79 CO 0.00 0.54 0.16 0.22 0.02 0.00 0.00 177.57 178.51 2i9x h TYR 80 N 0.40 0.26 0.00 1.57 5.03 -1.28 -2.01 116.97 120.93 2i9x h TYR 80 Ca -0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 2i9x h TYR 80 Cb 1.10 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 2i9x h TYR 80 CO 0.09 0.01 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.38 2i9x h ASP 81 N 0.31 0.00 0.76 -2.11 3.32 -1.81 -1.96 116.42 114.93 2i9x h ASP 81 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2i9x h ASP 81 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2i9x h ASP 81 CO -0.36 0.12 -0.13 -0.62 -1.72 0.00 0.00 179.24 176.53 2i9x n GLU 82 N -3.26 0.13 -3.64 3.56 1.02 -0.81 -4.87 120.64 112.76 2i9x n GLU 82 Ca 0.00 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 2i9x n GLU 82 Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.90 5.36 -1.93 2.62 2.01 -0.74 -5.08 115.64 114.98 2i9x s THR 83 Ca 0.16 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.53 2i9x s THR 83 Cb 0.19 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2i9x s THR 83 CO 0.56 0.42 0.48 0.47 -0.69 0.00 0.00 174.62 175.86