#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k53 n HIS -6 N 0.00 -2.36 -1.67 2.03 -0.00 -1.26 -4.84 115.22 107.12 1k53 n HIS -6 Ca 0.00 0.82 -0.60 0.00 -0.00 0.00 0.00 57.72 57.94 1k53 n HIS -6 Cb 0.00 -4.27 -0.08 0.00 -0.00 0.00 0.00 29.99 25.64 1k53 n HIS -6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1k53 n HIS -5 N -4.67 1.67 -3.64 4.41 -0.00 -1.26 -4.96 115.22 106.76 1k53 n HIS -5 Ca -0.00 0.81 -0.15 0.00 0.46 0.00 0.00 57.72 58.84 1k53 n HIS -5 Cb 0.55 -2.32 -0.14 0.00 -0.12 0.00 0.00 29.99 27.97 1k53 n HIS -5 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1k53 s HIS -4 N 2.36 -0.33 -0.46 1.57 5.04 -1.26 -5.09 115.29 117.11 1k53 s HIS -4 Ca 0.97 0.77 -0.21 0.00 -1.54 0.00 0.00 55.06 55.05 1k53 s HIS -4 Cb -1.21 -0.15 0.03 0.00 0.04 0.00 0.00 32.58 31.30 1k53 s HIS -4 CO 0.66 -0.35 0.68 -1.01 -2.34 0.00 0.00 174.74 172.38 1k53 s HIS -3 N 2.37 3.03 0.23 3.88 3.76 -1.26 -5.04 115.29 122.26 1k53 s HIS -3 Ca 0.03 -0.12 -0.27 0.00 -0.15 0.00 0.00 55.06 54.54 1k53 s HIS -3 Cb -0.12 -3.48 -0.09 0.00 1.11 0.00 0.00 32.58 30.00 1k53 s HIS -3 CO -0.08 -0.96 0.88 -1.58 -0.85 0.00 0.00 174.74 172.15 1k53 s HIS -2 N 2.93 3.90 -0.02 1.40 5.04 -1.26 -5.07 115.29 122.21 1k53 s HIS -2 Ca 0.23 1.78 -0.00 0.00 -1.54 0.00 0.00 55.06 55.52 1k53 s HIS -2 Cb -0.15 -2.88 0.03 0.00 0.04 0.00 0.00 32.58 29.62 1k53 s HIS -2 CO 0.18 0.43 0.04 -1.01 -2.34 0.00 0.00 174.74 172.04 1k53 s HIS -1 N -1.26 0.02 0.37 3.88 3.76 -1.26 -5.04 115.29 115.76 1k53 s HIS -1 Ca 0.41 0.17 0.11 0.00 -0.15 0.00 0.00 55.06 55.60 1k53 s HIS -1 Cb -0.23 -0.26 0.89 0.00 1.11 0.00 0.00 32.58 34.08 1k53 s HIS -1 CO 0.28 -0.11 1.85 0.00 -0.85 0.00 0.00 174.74 175.92 1k53 h ALA 0 N 7.44 1.93 -0.10 -1.40 0.00 -2.04 -0.43 119.26 124.65 1k53 h ALA 0 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k53 h ALA 0 Cb 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1k53 h ALA 0 CO 0.44 -0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.16 1k53 n MET 1 N -4.57 1.59 -1.76 0.00 2.81 -1.26 -4.83 117.12 109.09 1k53 n MET 1 Ca 0.19 -0.87 -0.40 0.00 -1.81 0.00 0.00 57.70 54.80 1k53 n MET 1 Cb 0.55 -1.41 0.01 0.00 -0.71 0.00 0.00 33.22 31.66 1k53 n MET 1 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1k53 n GLU 2 N 0.08 2.32 -4.29 0.03 0.28 -0.17 -5.00 120.64 113.89 1k53 n GLU 2 Ca 0.17 0.82 -0.31 0.00 -0.16 0.00 0.00 57.16 57.68 1k53 n GLU 2 Cb 0.29 -2.61 -0.16 0.00 1.43 0.00 0.00 31.44 30.39 1k53 n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1k53 s GLU 3 N -2.34 2.68 0.11 3.44 2.02 -1.26 -3.53 118.70 119.83 1k53 s GLU 3 Ca 0.59 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1k53 s GLU 3 Cb -0.46 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1k53 s GLU 3 CO 0.59 -0.14 -0.00 0.08 0.02 0.00 0.00 175.26 175.81 1k53 s VAL 4 N 1.17 0.37 -0.12 2.63 1.01 0.64 -4.95 120.40 121.15 1k53 s VAL 4 Ca -0.00 -1.90 0.02 0.00 0.00 0.00 0.00 61.98 60.09 1k53 s VAL 4 Cb -0.14 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1k53 s VAL 4 CO -0.08 -0.70 -0.16 -0.89 0.00 0.00 0.00 175.10 173.28 1k53 s THR 5 N -3.85 1.55 -0.21 3.92 2.01 -1.26 -2.17 115.64 115.63 1k53 s THR 5 Ca 0.17 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1k53 s THR 5 Cb 0.07 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1k53 s THR 5 CO -0.02 0.45 0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 1k53 s ILE 6 N 1.04 4.46 -0.24 1.82 -1.09 0.16 -4.89 121.20 122.46 1k53 s ILE 6 Ca -0.05 -0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.12 1k53 s ILE 6 Cb -0.15 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 1k53 s ILE 6 CO -0.03 0.40 0.18 -0.54 -1.23 0.00 0.00 174.94 173.73 1k53 s LYS 7 N 0.97 4.06 -0.31 2.79 3.01 0.53 -1.35 119.74 129.45 1k53 s LYS 7 Ca 0.03 -0.24 -0.07 0.00 -1.01 0.00 0.00 55.97 54.69 1k53 s LYS 7 Cb -0.14 -3.56 0.02 0.00 -1.01 0.00 0.00 37.83 33.14 1k53 s LYS 7 CO 0.03 0.02 0.08 0.00 0.51 0.00 0.00 175.35 175.99 1k53 s ALA 8 N 1.17 3.05 -0.38 5.17 0.00 0.34 -0.47 121.76 130.63 1k53 s ALA 8 Ca 0.08 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.34 1k53 s ALA 8 Cb -0.14 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1k53 s ALA 8 CO 0.06 -1.04 0.39 -0.80 0.00 0.00 0.00 175.76 174.36 1k53 s ASN 9 N 1.47 6.18 -0.14 0.00 0.01 -0.04 -1.09 114.94 121.34 1k53 s ASN 9 Ca 0.01 -0.48 -0.07 0.00 -0.71 0.00 0.00 52.86 51.61 1k53 s ASN 9 Cb -0.18 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1k53 s ASN 9 CO 0.02 -0.46 0.13 -0.76 -1.51 0.00 0.00 177.10 174.52 1k53 s LEU 10 N 2.05 4.28 -0.11 0.60 1.43 0.30 -0.93 118.68 126.30 1k53 s LEU 10 Ca 0.11 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1k53 s LEU 10 Cb -0.17 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1k53 s LEU 10 CO 0.12 0.35 -0.13 -0.63 0.23 0.00 0.00 176.35 176.30 1k53 s ILE 11 N -0.68 1.34 0.43 -0.59 1.01 -0.15 -2.50 121.20 120.06 1k53 s ILE 11 Ca 0.13 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1k53 s ILE 11 Cb -0.12 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1k53 s ILE 11 CO 0.03 0.41 0.61 -0.36 0.00 0.00 0.00 174.94 175.63 1k53 s PHE 12 N 1.14 3.01 0.30 3.97 0.08 -0.48 -0.95 117.98 125.05 1k53 s PHE 12 Ca -0.04 -0.10 0.06 0.00 0.12 0.00 0.00 56.93 56.97 1k53 s PHE 12 Cb -0.14 -2.34 0.76 0.00 -0.57 0.00 0.00 43.02 40.73 1k53 s PHE 12 CO -0.03 -0.39 1.76 0.00 -0.10 0.00 0.00 175.22 176.46 1k53 h ALA 13 N 0.52 1.67 -0.22 5.36 0.00 -1.81 0.27 119.26 125.06 1k53 h ALA 13 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1k53 h ALA 13 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k53 h ALA 13 CO 0.52 -0.10 0.00 0.27 0.00 0.00 0.00 179.25 179.94 1k53 n ASN 14 N -4.80 1.71 0.00 0.00 2.04 -1.26 -4.88 115.26 108.06 1k53 n ASN 14 Ca 0.24 -2.10 0.00 0.00 -0.44 0.00 0.00 54.58 52.28 1k53 n ASN 14 Cb 0.60 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.56 1k53 n ASN 14 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1k53 n ALA 15 N 0.20 0.00 -1.18 -2.53 0.00 0.96 -5.03 120.51 112.93 1k53 n ALA 15 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 1k53 n ALA 15 Cb 0.32 -0.22 0.13 0.00 0.00 0.00 0.00 19.45 19.69 1k53 n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k53 s SER 16 N -2.44 3.64 0.26 0.00 1.04 -1.26 -4.70 113.70 110.24 1k53 s SER 16 Ca 0.00 1.60 -0.03 0.00 0.48 0.00 0.00 55.95 58.00 1k53 s SER 16 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 1k53 s SER 16 CO 0.00 -2.55 0.29 0.42 0.98 0.00 0.00 173.24 172.38 1k53 s THR 17 N -2.90 0.00 -0.23 2.02 -4.23 -1.26 -1.38 115.64 107.66 1k53 s THR 17 Ca 0.63 -1.80 -0.32 0.00 -1.18 0.00 0.00 61.69 59.02 1k53 s THR 17 Cb -0.18 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.36 1k53 s THR 17 CO 0.57 0.00 1.24 0.00 -0.54 0.00 0.00 174.62 175.89 1k53 s GLN 18 N -3.83 0.24 -0.05 3.99 -2.07 -1.04 -5.02 119.66 111.88 1k53 s GLN 18 Ca 0.34 -0.01 0.06 0.00 -1.82 0.00 0.00 55.36 53.93 1k53 s GLN 18 Cb 0.03 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.05 1k53 s GLN 18 CO 0.15 -0.09 -0.23 0.99 -1.32 0.00 0.00 175.29 174.79 1k53 s THR 19 N -1.58 1.89 -0.04 3.63 2.01 -1.26 -0.54 115.64 119.75 1k53 s THR 19 Ca 0.07 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1k53 s THR 19 Cb -0.01 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 1k53 s THR 19 CO -0.05 0.53 -0.16 0.00 -0.69 0.00 0.00 174.62 174.25 1k53 s ALA 20 N -0.18 1.42 -0.06 7.40 0.00 -0.25 -4.97 121.76 125.13 1k53 s ALA 20 Ca -0.02 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1k53 s ALA 20 Cb -0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1k53 s ALA 20 CO 0.03 0.26 -0.06 -1.21 0.00 0.00 0.00 175.76 174.78 1k53 s GLU 21 N 0.02 2.72 -0.05 0.00 2.02 -1.26 -0.51 118.70 121.65 1k53 s GLU 21 Ca -0.03 -0.57 0.04 0.00 0.02 0.00 0.00 54.97 54.43 1k53 s GLU 21 Cb -0.11 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.54 1k53 s GLU 21 CO 0.02 0.66 -0.16 -0.06 0.02 0.00 0.00 175.26 175.73 1k53 s PHE 22 N -0.85 1.63 0.06 1.61 0.40 -0.46 -4.97 117.98 115.41 1k53 s PHE 22 Ca 0.13 -0.49 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1k53 s PHE 22 Cb -0.11 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 1k53 s PHE 22 CO 0.03 -0.18 -0.24 0.15 0.70 0.00 0.00 175.22 175.68 1k53 s LYS 23 N 0.14 1.55 0.00 0.44 1.02 -1.26 -0.67 119.74 120.96 1k53 s LYS 23 Ca -0.05 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1k53 s LYS 23 Cb -0.12 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1k53 s LYS 23 CO 0.02 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1k53 n GLY 24 N 1.65 0.19 3.76 -3.33 0.00 -0.92 -4.69 105.19 101.85 1k53 n GLY 24 Ca -0.17 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1k53 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k53 s THR 25 N -3.86 3.20 0.23 2.61 -4.23 -1.23 -0.26 115.64 112.11 1k53 s THR 25 Ca 0.00 0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1k53 s THR 25 Cb 0.00 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.18 1k53 s THR 25 CO 0.00 -0.51 1.88 0.15 -0.54 0.00 0.00 174.62 175.60 1k53 h PHE 26 N -1.21 1.06 -0.14 3.99 3.04 -1.91 -0.20 116.94 121.57 1k53 h PHE 26 Ca -0.44 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.51 1k53 h PHE 26 Cb 1.24 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1k53 h PHE 26 CO 0.55 0.62 0.01 0.93 -2.02 0.00 0.00 178.31 178.41 1k53 h GLU 27 N 1.10 0.24 -0.30 1.11 3.07 -1.99 -1.86 114.58 115.96 1k53 h GLU 27 Ca 0.34 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.06 1k53 h GLU 27 Cb -0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1k53 h GLU 27 CO -0.11 0.45 -0.08 0.87 -1.40 0.00 0.00 179.01 178.74 1k53 h LYS 28 N 0.00 0.58 -0.80 2.33 6.56 -1.88 -0.99 116.57 122.37 1k53 h LYS 28 Ca 0.04 -0.23 -0.03 0.00 -1.06 0.00 0.00 60.65 59.38 1k53 h LYS 28 Cb 0.33 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.92 1k53 h LYS 28 CO 0.00 0.78 0.39 0.00 -2.06 0.00 0.00 179.45 178.56 1k53 h ALA 29 N 0.78 1.04 -0.43 3.86 0.00 -1.09 0.30 119.26 123.72 1k53 h ALA 29 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k53 h ALA 29 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1k53 h ALA 29 CO 0.03 0.60 0.23 1.15 0.00 0.00 0.00 179.25 181.26 1k53 h THR 30 N 1.14 1.16 -0.76 0.00 2.02 -1.22 -1.16 112.91 114.09 1k53 h THR 30 Ca 0.28 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1k53 h THR 30 Cb 0.12 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1k53 h THR 30 CO -0.03 0.17 0.45 0.28 0.37 0.00 0.00 175.52 176.75 1k53 h SER 31 N 0.56 0.93 -0.34 4.18 0.02 -0.57 -2.59 113.55 115.73 1k53 h SER 31 Ca 0.15 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1k53 h SER 31 Cb 0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1k53 h SER 31 CO -0.02 0.73 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.02 1k53 h GLU 32 N 1.04 0.73 -0.24 3.45 5.08 -0.61 -1.38 114.58 122.65 1k53 h GLU 32 Ca 0.27 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1k53 h GLU 32 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1k53 h GLU 32 CO -0.05 0.77 0.13 0.00 -1.00 0.00 0.00 179.01 178.86 1k53 h ALA 33 N 1.28 0.30 -0.14 3.43 0.00 -0.87 -0.94 119.26 122.33 1k53 h ALA 33 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1k53 h ALA 33 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1k53 h ALA 33 CO 0.02 -0.18 -0.30 1.88 0.00 0.00 0.00 179.25 180.68 1k53 h TYR 34 N 0.28 0.29 -0.41 0.00 0.05 -1.31 -2.10 116.97 113.77 1k53 h TYR 34 Ca 0.08 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.72 1k53 h TYR 34 Cb 0.05 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1k53 h TYR 34 CO -0.04 0.54 -0.08 0.00 -1.05 0.00 0.00 178.16 177.53 1k53 h ALA 35 N 1.46 1.09 -0.36 3.88 0.00 -0.82 -1.03 119.26 123.48 1k53 h ALA 35 Ca 0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1k53 h ALA 35 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1k53 h ALA 35 CO 0.05 0.57 -0.08 -0.92 0.00 0.00 0.00 179.25 178.87 1k53 h TYR 36 N 0.66 0.77 -0.92 0.00 3.20 -0.77 -2.48 116.97 117.42 1k53 h TYR 36 Ca 0.12 -0.16 0.07 0.00 3.14 0.00 0.00 58.73 61.90 1k53 h TYR 36 Cb 0.52 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.54 1k53 h TYR 36 CO 0.02 0.83 0.58 0.00 -1.64 0.00 0.00 178.16 177.96 1k53 h ALA 37 N 0.83 1.29 -0.30 1.82 0.00 -0.97 -1.56 119.26 120.37 1k53 h ALA 37 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1k53 h ALA 37 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1k53 h ALA 37 CO 0.03 0.32 -0.07 -0.44 0.00 0.00 0.00 179.25 179.09 1k53 h ASP 38 N 1.04 0.46 0.78 0.00 3.32 -0.94 -2.41 116.42 118.67 1k53 h ASP 38 Ca 0.41 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1k53 h ASP 38 Cb 0.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1k53 h ASP 38 CO -0.19 0.58 -0.25 0.71 -1.72 0.00 0.00 179.24 178.38 1k53 h THR 39 N 0.46 0.66 -0.00 0.35 1.35 -0.84 -2.81 112.91 112.07 1k53 h THR 39 Ca 0.09 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1k53 h THR 39 Cb 0.41 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1k53 h THR 39 CO 0.02 0.24 -0.35 0.18 -0.25 0.00 0.00 175.52 175.37 1k53 n LEU 40 N -3.49 0.45 -0.27 3.87 4.77 -0.93 -4.28 117.00 117.12 1k53 n LEU 40 Ca -0.00 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 1k53 n LEU 40 Cb 0.41 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1k53 n LEU 40 CO 0.34 0.10 1.11 0.50 -1.33 0.00 0.00 177.39 178.11 1k53 h LYS 41 N 0.17 1.05 -0.72 3.23 3.11 -1.28 -0.40 116.57 121.73 1k53 h LYS 41 Ca 0.00 -0.13 0.08 0.00 -2.81 0.00 0.00 60.65 57.79 1k53 h LYS 41 Cb 0.49 -0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 31.45 1k53 h LYS 41 CO 0.00 0.79 0.38 -0.22 -2.81 0.00 0.00 179.45 177.59 1k53 h LYS 42 N 1.04 0.63 0.00 1.90 3.64 -1.77 0.39 116.57 122.40 1k53 h LYS 42 Ca 0.26 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1k53 h LYS 42 Cb 0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1k53 h LYS 42 CO -0.04 0.42 -1.24 -0.25 -2.27 0.00 0.00 179.45 176.07 1k53 n ASP 43 N -4.82 0.83 -0.18 4.20 8.00 -1.17 -4.48 116.55 118.93 1k53 n ASP 43 Ca 0.11 0.34 0.02 0.00 0.71 0.00 0.00 54.79 55.97 1k53 n ASP 43 Cb 0.25 0.34 0.02 0.00 -0.02 0.00 0.00 41.12 41.71 1k53 n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k53 n ASN 44 N -2.77 1.45 0.00 -2.24 4.13 -0.17 -4.99 115.26 110.67 1k53 n ASN 44 Ca -0.05 -1.26 0.00 0.00 1.68 0.00 0.00 54.58 54.95 1k53 n ASN 44 Cb 0.70 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 1k53 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k53 n GLY 45 N 0.20 -0.65 3.73 7.41 0.00 0.14 -0.40 105.19 115.62 1k53 n GLY 45 Ca 0.03 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 1k53 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k53 s GLU 46 N -1.04 2.44 0.20 1.61 2.02 -1.26 -4.35 118.70 118.32 1k53 s GLU 46 Ca 0.00 1.88 0.10 0.00 0.02 0.00 0.00 54.97 56.97 1k53 s GLU 46 Cb 0.00 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1k53 s GLU 46 CO 0.00 -1.63 -0.16 1.67 0.02 0.00 0.00 175.26 175.16 1k53 s TRP 47 N -1.71 2.46 -0.01 1.61 1.48 -1.26 -0.35 118.94 121.18 1k53 s TRP 47 Ca 0.78 -0.29 0.05 0.00 -1.06 0.00 0.00 56.10 55.58 1k53 s TRP 47 Cb -0.32 -1.19 -0.01 0.00 -1.16 0.00 0.00 33.47 30.78 1k53 s TRP 47 CO 0.41 0.53 -0.17 0.99 -4.06 0.00 0.00 176.95 174.65 1k53 s THR 48 N -1.80 1.34 0.05 0.66 2.01 0.34 -4.96 115.64 113.28 1k53 s THR 48 Ca 0.24 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1k53 s THR 48 Cb -0.08 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1k53 s THR 48 CO 0.13 0.34 -0.22 0.54 -0.69 0.00 0.00 174.62 174.73 1k53 s VAL 49 N -0.45 1.76 -0.18 3.82 0.11 -1.26 -0.81 120.40 123.39 1k53 s VAL 49 Ca 0.06 -1.27 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1k53 s VAL 49 Cb -0.07 -1.53 0.05 0.00 -1.53 0.00 0.00 36.38 33.30 1k53 s VAL 49 CO -0.00 0.20 -0.04 -1.81 -3.33 0.00 0.00 175.10 170.12 1k53 s ASP 50 N -1.27 3.02 0.23 3.54 1.01 -0.44 -4.99 116.67 117.76 1k53 s ASP 50 Ca 0.08 -0.78 -0.27 0.00 0.71 0.00 0.00 52.55 52.30 1k53 s ASP 50 Cb -0.09 -0.91 -0.09 0.00 1.01 0.00 0.00 42.92 42.85 1k53 s ASP 50 CO 0.02 -0.21 0.86 -0.69 0.21 0.00 0.00 175.17 175.36 1k53 s VAL 51 N 1.63 4.25 0.32 -1.27 1.01 -1.26 -1.63 120.40 123.44 1k53 s VAL 51 Ca -0.01 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1k53 s VAL 51 Cb -0.16 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1k53 s VAL 51 CO -0.07 0.41 0.35 0.00 0.00 0.00 0.00 175.10 175.79 1k53 s ALA 52 N -1.29 1.28 -1.38 5.51 0.00 0.25 -4.89 121.76 121.23 1k53 s ALA 52 Ca 0.41 -1.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 1k53 s ALA 52 Cb -0.23 1.32 -0.00 0.00 0.00 0.00 0.00 23.12 24.22 1k53 s ALA 52 CO 0.27 -0.72 0.47 -0.25 0.00 0.00 0.00 175.76 175.53 1k53 n ASP 53 N -1.34 -0.49 -1.98 0.00 8.00 -1.26 -0.70 116.55 118.79 1k53 n ASP 53 Ca 0.04 -0.97 -0.13 0.00 0.71 0.00 0.00 54.79 54.43 1k53 n ASP 53 Cb 0.62 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 38.46 1k53 n ASP 53 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k53 n LYS 54 N -4.38 -1.78 0.00 -1.24 4.76 -1.26 -1.57 118.16 112.70 1k53 n LYS 54 Ca -0.31 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1k53 n LYS 54 Cb 0.68 -5.17 0.00 0.00 -1.84 0.00 0.00 35.03 28.71 1k53 n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k53 n GLY 55 N -0.58 0.36 0.07 0.72 0.00 0.13 -4.95 105.19 100.94 1k53 n GLY 55 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1k53 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k53 n TYR 56 N -1.54 0.00 -4.20 1.61 4.02 -0.61 -4.73 117.16 111.71 1k53 n TYR 56 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1k53 n TYR 56 Cb 0.00 -0.26 -0.17 0.00 -0.02 0.00 0.00 39.34 38.89 1k53 n TYR 56 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1k53 s THR 57 N -2.65 1.01 -0.27 -0.72 2.01 -0.97 -0.35 115.64 113.70 1k53 s THR 57 Ca 0.24 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 1k53 s THR 57 Cb 0.20 -0.98 0.04 0.00 0.01 0.00 0.00 72.50 71.76 1k53 s THR 57 CO 0.51 0.35 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.99 1k53 s LEU 58 N 1.22 3.51 -0.48 4.42 1.43 0.38 -0.58 118.68 128.57 1k53 s LEU 58 Ca -0.04 -1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 1k53 s LEU 58 Cb -0.14 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.47 1k53 s LEU 58 CO -0.03 -0.19 0.54 0.20 0.23 0.00 0.00 176.35 177.10 1k53 s ASN 59 N 1.26 6.21 -0.18 2.29 0.01 -0.65 -0.86 114.94 123.03 1k53 s ASN 59 Ca -0.03 -0.93 -0.04 0.00 -0.71 0.00 0.00 52.86 51.15 1k53 s ASN 59 Cb -0.18 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1k53 s ASN 59 CO -0.03 -0.78 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.11 1k53 s ILE 60 N 2.33 3.66 -0.09 0.60 1.01 -0.11 -1.33 121.20 127.27 1k53 s ILE 60 Ca 0.12 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1k53 s ILE 60 Cb -0.20 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1k53 s ILE 60 CO 0.11 0.46 -0.10 -0.75 0.00 0.00 0.00 174.94 174.66 1k53 s LYS 61 N 0.79 2.99 -0.15 2.79 2.47 0.01 -0.98 119.74 127.67 1k53 s LYS 61 Ca -0.02 -0.62 -0.06 0.00 -1.56 0.00 0.00 55.97 53.71 1k53 s LYS 61 Cb -0.15 -2.59 -0.04 0.00 -1.46 0.00 0.00 37.83 33.60 1k53 s LYS 61 CO 0.02 0.46 0.06 -0.06 0.16 0.00 0.00 175.35 175.99 1k53 s PHE 62 N -0.29 3.28 -0.13 4.03 0.40 -0.13 -0.50 117.98 124.65 1k53 s PHE 62 Ca 0.03 0.17 0.24 0.00 -0.60 0.00 0.00 56.93 56.77 1k53 s PHE 62 Cb -0.13 -1.98 0.64 0.00 0.51 0.00 0.00 43.02 42.06 1k53 s PHE 62 CO 0.03 0.33 1.71 0.00 0.70 0.00 0.00 175.22 177.98 1k53 h ALA 63 N 6.03 0.94 0.00 5.36 0.00 -0.80 -2.91 119.26 127.88 1k53 h ALA 63 Ca -0.43 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1k53 h ALA 63 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k53 h ALA 63 CO 0.64 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.51