#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 -1.56 -1.68 1.12 -0.00 -1.26 -4.82 115.22 107.02 1k53 n HIS -6 Ca 0.00 0.49 -0.56 0.00 -0.00 0.00 0.00 57.72 57.66 1k53 n HIS -6 Cb 0.00 -3.25 -0.07 0.00 -0.00 0.00 0.00 29.99 26.68 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 -4.55 1.94 -3.69 4.41 -0.00 -1.26 -4.95 115.22 107.12 1k53 n HIS -5 Ca -0.22 0.54 -0.14 0.00 -0.00 0.00 0.00 57.72 57.89 1k53 n HIS -5 Cb 0.64 -2.44 -0.14 0.00 -0.00 0.00 0.00 29.99 28.05 1k53 n HIS -5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1k53 s HIS -4 N 2.80 -0.31 -0.38 1.57 5.65 -1.26 -5.11 115.29 118.24 1k53 s HIS -4 Ca 0.95 0.78 -0.19 0.00 0.25 0.00 0.00 55.06 56.85 1k53 s HIS -4 Cb -1.02 -0.07 0.01 0.00 -1.18 0.00 0.00 32.58 30.32 1k53 s HIS -4 CO 0.60 -0.28 0.57 -1.01 -0.65 0.00 0.00 174.74 173.97 1k53 s HIS -3 N 1.92 3.14 0.15 3.88 4.02 -1.26 -5.05 115.29 122.09 1k53 s HIS -3 Ca -0.03 0.09 -0.24 0.00 1.02 0.00 0.00 55.06 55.91 1k53 s HIS -3 Cb -0.12 -3.10 -0.08 0.00 -1.02 0.00 0.00 32.58 28.27 1k53 s HIS -3 CO -0.08 -0.67 0.73 -1.58 1.02 0.00 0.00 174.74 174.16 1k53 s HIS -2 N 2.57 3.87 -0.04 1.40 5.65 -1.26 -5.07 115.29 122.42 1k53 s HIS -2 Ca 0.20 1.54 -0.01 0.00 0.25 0.00 0.00 55.06 57.05 1k53 s HIS -2 Cb -0.15 -2.70 0.03 0.00 -1.18 0.00 0.00 32.58 28.58 1k53 s HIS -2 CO 0.15 0.52 0.02 -1.01 -0.65 0.00 0.00 174.74 173.78 1k53 s HIS -1 N -1.16 0.26 0.46 3.88 0.09 -1.26 -5.03 115.29 112.54 1k53 s HIS -1 Ca 0.35 0.06 0.22 0.00 -0.00 0.00 0.00 55.06 55.68 1k53 s HIS -1 Cb -0.22 -0.46 1.22 0.00 -0.00 0.00 0.00 32.58 33.12 1k53 s HIS -1 CO 0.24 -0.17 1.88 0.00 -0.00 0.00 0.00 174.74 176.70 1k53 h ALA 0 N 7.71 2.40 -0.07 -1.40 0.00 -2.05 0.01 119.26 125.87 1k53 h ALA 0 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1k53 h ALA 0 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k53 h ALA 0 CO 0.36 -0.66 0.00 -1.33 0.00 0.00 0.00 179.25 177.62 1k53 n MET 1 N -4.43 1.69 -1.85 0.00 2.00 -1.26 -4.86 117.12 108.41 1k53 n MET 1 Ca 0.18 -1.01 -0.40 0.00 0.00 0.00 0.00 57.70 56.47 1k53 n MET 1 Cb 0.75 -1.45 0.01 0.00 0.00 0.00 0.00 33.22 32.53 1k53 n MET 1 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1k53 s GLU 2 N -1.93 3.81 -0.20 0.03 -1.05 -0.01 -5.00 118.70 114.35 1k53 s GLU 2 Ca 0.36 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.57 1k53 s GLU 2 Cb 0.20 -2.73 0.05 0.00 -0.44 0.00 0.00 34.13 31.21 1k53 s GLU 2 CO 0.31 -0.71 -0.07 -1.21 0.95 0.00 0.00 175.26 174.53 1k53 s GLU 3 N -2.35 1.74 0.34 -4.83 0.41 -1.26 -3.42 118.70 109.33 1k53 s GLU 3 Ca 0.59 -0.76 0.04 0.00 -0.41 0.00 0.00 54.97 54.42 1k53 s GLU 3 Cb -0.43 -2.32 -0.06 0.00 -1.78 0.00 0.00 34.13 29.55 1k53 s GLU 3 CO 0.56 -0.47 0.06 0.14 -0.49 0.00 0.00 175.26 175.07 1k53 s VAL 4 N 1.48 1.13 -0.11 2.63 -7.23 0.79 -4.92 120.40 114.17 1k53 s VAL 4 Ca -0.02 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1k53 s VAL 4 Cb -0.16 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.05 1k53 s VAL 4 CO -0.08 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.63 1k53 s THR 5 N -3.27 1.77 -0.23 5.32 2.01 -1.26 -2.31 115.64 117.67 1k53 s THR 5 Ca 0.34 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1k53 s THR 5 Cb 0.08 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1k53 s THR 5 CO 0.15 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 173.97 1k53 s ILE 6 N 0.68 3.95 -0.40 1.82 -1.09 0.48 -4.91 121.20 121.72 1k53 s ILE 6 Ca -0.12 -0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 57.78 1k53 s ILE 6 Cb -0.16 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 1k53 s ILE 6 CO 0.03 0.38 0.70 -0.54 -1.23 0.00 0.00 174.94 174.27 1k53 s LYS 7 N 1.51 3.54 -0.44 2.79 1.02 0.22 -1.16 119.74 127.22 1k53 s LYS 7 Ca 0.06 -0.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 1k53 s LYS 7 Cb -0.15 -3.87 0.06 0.00 -0.52 0.00 0.00 37.83 33.35 1k53 s LYS 7 CO 0.01 -0.91 0.33 0.00 -0.92 0.00 0.00 175.35 173.86 1k53 s ALA 8 N 2.94 3.47 -0.64 5.17 0.00 0.50 -0.35 121.76 132.85 1k53 s ALA 8 Ca 0.27 -2.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.00 1k53 s ALA 8 Cb -0.14 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.14 1k53 s ALA 8 CO 0.18 -1.62 0.97 -0.80 0.00 0.00 0.00 175.76 174.49 1k53 s ASN 9 N 2.22 6.20 -0.11 0.00 0.02 0.39 -0.71 114.94 122.94 1k53 s ASN 9 Ca 0.04 -0.85 -0.26 0.00 -1.02 0.00 0.00 52.86 50.76 1k53 s ASN 9 Cb -0.22 -2.43 -0.02 0.00 0.02 0.00 0.00 41.25 38.60 1k53 s ASN 9 CO 0.06 -1.42 0.86 -0.76 0.02 0.00 0.00 177.10 175.87 1k53 s LEU 10 N 4.12 4.25 -0.21 0.60 1.43 0.15 -1.50 118.68 127.52 1k53 s LEU 10 Ca 0.24 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1k53 s LEU 10 Cb -0.16 -3.32 0.04 0.00 0.03 0.00 0.00 46.19 42.78 1k53 s LEU 10 CO 0.12 -0.33 -0.13 -0.63 0.23 0.00 0.00 176.35 175.61 1k53 s ILE 11 N 1.67 1.91 0.30 -0.59 1.01 0.54 -1.61 121.20 124.44 1k53 s ILE 11 Ca 0.42 -1.15 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1k53 s ILE 11 Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1k53 s ILE 11 CO 0.17 0.23 0.54 -0.36 0.00 0.00 0.00 174.94 175.52 1k53 s PHE 12 N 1.29 3.49 0.35 3.97 0.08 -0.63 -0.58 117.98 125.95 1k53 s PHE 12 Ca -0.01 0.50 0.12 0.00 0.12 0.00 0.00 56.93 57.66 1k53 s PHE 12 Cb -0.16 -2.00 0.93 0.00 -0.57 0.00 0.00 43.02 41.22 1k53 s PHE 12 CO -0.09 0.17 1.77 0.00 -0.10 0.00 0.00 175.22 176.97 1k53 h ALA 13 N 1.36 1.94 -0.05 5.36 0.00 -1.84 0.44 119.26 126.47 1k53 h ALA 13 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1k53 h ALA 13 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k53 h ALA 13 CO 0.65 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.82 1k53 n ASN 14 N -4.73 1.01 0.00 0.00 6.94 -1.26 -4.84 115.26 112.38 1k53 n ASN 14 Ca 0.25 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 1k53 n ASN 14 Cb 0.73 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 1k53 n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k53 n ALA 15 N -0.08 0.00 -1.29 -2.53 0.00 0.15 -5.00 120.51 111.75 1k53 n ALA 15 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1k53 n ALA 15 Cb 0.23 -0.41 0.09 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.57 4.60 0.09 0.00 1.04 -1.25 -4.77 113.70 110.85 1k53 s SER 16 Ca 0.00 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1k53 s SER 16 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1k53 s SER 16 CO 0.00 -1.97 -0.03 0.42 0.98 0.00 0.00 173.24 172.64 1k53 s THR 17 N -2.92 0.43 -0.28 2.02 -4.23 -1.26 -1.61 115.64 107.79 1k53 s THR 17 Ca 0.61 -1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 1k53 s THR 17 Cb -0.17 -1.69 0.09 0.00 1.34 0.00 0.00 72.50 72.08 1k53 s THR 17 CO 0.56 -0.85 0.75 -1.58 -0.54 0.00 0.00 174.62 172.96 1k53 s GLN 18 N -3.90 0.64 -0.23 3.99 2.00 -0.63 -5.01 119.66 116.52 1k53 s GLN 18 Ca 0.12 1.10 -0.09 0.00 -2.00 0.00 0.00 55.36 54.50 1k53 s GLN 18 Cb 0.07 0.13 -0.04 0.00 0.80 0.00 0.00 33.01 33.97 1k53 s GLN 18 CO -0.06 -0.13 0.11 0.99 -0.50 0.00 0.00 175.29 175.70 1k53 s THR 19 N 1.55 4.89 -0.09 -0.34 2.01 -1.26 0.33 115.64 122.73 1k53 s THR 19 Ca -0.10 0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1k53 s THR 19 Cb -0.05 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1k53 s THR 19 CO -0.19 0.36 -0.22 0.00 -0.69 0.00 0.00 174.62 173.89 1k53 s ALA 20 N 1.12 2.29 -0.13 7.40 0.00 0.11 -4.95 121.76 127.59 1k53 s ALA 20 Ca 0.06 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1k53 s ALA 20 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1k53 s ALA 20 CO 0.04 0.35 0.07 -1.21 0.00 0.00 0.00 175.76 175.01 1k53 s GLU 21 N 0.07 3.51 -0.14 0.00 2.02 -1.26 -0.37 118.70 122.52 1k53 s GLU 21 Ca -0.09 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.61 1k53 s GLU 21 Cb -0.15 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1k53 s GLU 21 CO 0.06 0.56 -0.18 -0.06 0.02 0.00 0.00 175.26 175.66 1k53 s PHE 22 N -0.45 2.72 0.06 1.61 0.40 -0.31 -4.94 117.98 117.07 1k53 s PHE 22 Ca 0.10 -1.08 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 1k53 s PHE 22 Cb -0.12 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1k53 s PHE 22 CO 0.02 -0.48 -0.12 0.15 0.70 0.00 0.00 175.22 175.49 1k53 s LYS 23 N 0.70 2.19 0.00 0.44 1.02 -1.26 -0.39 119.74 122.44 1k53 s LYS 23 Ca -0.08 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1k53 s LYS 23 Cb -0.16 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1k53 s LYS 23 CO 0.01 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1k53 n GLY 24 N 1.22 0.35 3.73 -3.33 0.00 -0.98 -4.72 105.19 101.47 1k53 n GLY 24 Ca -0.15 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.47 2.91 0.16 2.61 -4.23 -1.22 -0.15 115.64 112.25 1k53 s THR 25 Ca 0.00 0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 60.65 1k53 s THR 25 Cb 0.00 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1k53 s THR 25 CO 0.00 -0.38 1.80 0.15 -0.54 0.00 0.00 174.62 175.64 1k53 h PHE 26 N -1.41 0.46 -0.39 3.99 3.57 -1.91 -0.86 116.94 120.40 1k53 h PHE 26 Ca -0.47 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 1k53 h PHE 26 Cb 1.26 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1k53 h PHE 26 CO 0.50 0.26 0.02 0.93 -2.23 0.00 0.00 178.31 177.79 1k53 h GLU 27 N 0.50 0.67 -0.15 1.11 3.07 -1.99 -2.46 114.58 115.33 1k53 h GLU 27 Ca 0.18 -0.20 -0.22 0.00 -0.50 0.00 0.00 59.36 58.61 1k53 h GLU 27 Cb 0.03 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1k53 h GLU 27 CO -0.09 0.75 -0.78 0.87 -1.40 0.00 0.00 179.01 178.36 1k53 h LYS 28 N 0.50 0.77 -0.75 2.33 6.56 -1.90 -2.00 116.57 122.08 1k53 h LYS 28 Ca 0.11 -0.63 -0.06 0.00 -1.06 0.00 0.00 60.65 59.01 1k53 h LYS 28 Cb 0.44 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 32.20 1k53 h LYS 28 CO 0.02 1.24 0.23 0.00 -2.06 0.00 0.00 179.45 178.88 1k53 h ALA 29 N 0.58 0.99 -0.18 3.86 0.00 -1.21 0.13 119.26 123.43 1k53 h ALA 29 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1k53 h ALA 29 Cb 1.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1k53 h ALA 29 CO 0.16 0.67 0.10 1.15 0.00 0.00 0.00 179.25 181.33 1k53 h THR 30 N 1.12 1.10 -0.84 0.00 2.02 -1.43 0.02 112.91 114.89 1k53 h THR 30 Ca 0.24 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1k53 h THR 30 Cb 0.31 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1k53 h THR 30 CO -0.01 0.09 0.54 -1.28 0.37 0.00 0.00 175.52 175.24 1k53 h SER 31 N 0.19 0.98 0.49 4.18 0.87 -0.96 -2.45 113.55 116.85 1k53 h SER 31 Ca 0.06 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1k53 h SER 31 Cb 0.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1k53 h SER 31 CO -0.01 0.72 -0.67 -0.33 -0.53 0.00 0.00 176.83 176.02 1k53 h GLU 32 N 1.15 0.16 -0.57 2.24 5.08 -0.30 -1.77 114.58 120.57 1k53 h GLU 32 Ca 0.31 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1k53 h GLU 32 Cb -0.11 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1k53 h GLU 32 CO -0.06 0.76 0.22 0.00 -1.00 0.00 0.00 179.01 178.94 1k53 h ALA 33 N 1.20 0.74 -0.15 3.43 0.00 -0.55 -1.26 119.26 122.68 1k53 h ALA 33 Ca -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1k53 h ALA 33 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1k53 h ALA 33 CO 0.10 0.36 -0.45 1.88 0.00 0.00 0.00 179.25 181.13 1k53 h TYR 34 N 0.78 0.42 -0.53 0.00 0.05 -1.35 -1.97 116.97 114.38 1k53 h TYR 34 Ca 0.19 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1k53 h TYR 34 Cb 0.21 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1k53 h TYR 34 CO 0.01 0.74 0.00 0.00 -1.05 0.00 0.00 178.16 177.86 1k53 h ALA 35 N 1.24 1.00 -0.49 3.88 0.00 -0.95 -0.91 119.26 123.03 1k53 h ALA 35 Ca 0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1k53 h ALA 35 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1k53 h ALA 35 CO 0.08 0.62 -0.20 -0.92 0.00 0.00 0.00 179.25 178.82 1k53 h TYR 36 N 0.84 1.14 -0.75 0.00 3.20 -1.01 -2.55 116.97 117.85 1k53 h TYR 36 Ca 0.16 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1k53 h TYR 36 Cb 0.49 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1k53 h TYR 36 CO 0.03 1.10 0.48 0.00 -1.64 0.00 0.00 178.16 178.13 1k53 h ALA 37 N 0.89 1.45 -0.63 1.82 0.00 -0.96 -1.66 119.26 120.18 1k53 h ALA 37 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1k53 h ALA 37 Cb 0.78 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1k53 h ALA 37 CO 0.06 0.50 0.21 -0.44 0.00 0.00 0.00 179.25 179.59 1k53 h ASP 38 N 1.02 0.87 0.60 0.00 3.32 -0.82 -2.29 116.42 119.12 1k53 h ASP 38 Ca 0.27 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1k53 h ASP 38 Cb -0.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 1k53 h ASP 38 CO -0.06 0.81 -0.07 0.71 -1.72 0.00 0.00 179.24 178.91 1k53 h THR 39 N 0.92 0.26 0.00 0.35 1.35 -0.91 -2.67 112.91 112.22 1k53 h THR 39 Ca 0.21 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1k53 h THR 39 Cb 0.24 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1k53 h THR 39 CO -0.01 0.07 -0.56 0.18 -0.25 0.00 0.00 175.52 174.95 1k53 n LEU 40 N -3.31 0.54 -0.19 3.87 4.77 -0.88 -4.38 117.00 117.42 1k53 n LEU 40 Ca -0.01 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 1k53 n LEU 40 Cb 0.26 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1k53 n LEU 40 CO 0.28 0.10 1.08 0.50 -1.33 0.00 0.00 177.39 178.02 1k53 h LYS 41 N 0.00 0.65 -0.98 3.23 3.11 -1.30 0.84 116.57 122.12 1k53 h LYS 41 Ca 0.00 -0.04 0.12 0.00 -2.81 0.00 0.00 60.65 57.92 1k53 h LYS 41 Cb 0.55 -0.15 -0.08 0.00 -1.00 0.00 0.00 32.23 31.54 1k53 h LYS 41 CO 0.00 0.43 0.61 -0.22 -2.81 0.00 0.00 179.45 177.46 1k53 h LYS 42 N 0.67 0.93 0.00 1.90 3.64 -1.78 0.23 116.57 122.17 1k53 h LYS 42 Ca 0.23 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 1k53 h LYS 42 Cb 0.03 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1k53 h LYS 42 CO -0.10 0.62 -1.59 -0.25 -2.27 0.00 0.00 179.45 175.85 1k53 n ASP 43 N -4.64 0.73 -0.25 4.20 8.00 -1.11 -4.55 116.55 118.93 1k53 n ASP 43 Ca 0.18 0.33 0.03 0.00 0.71 0.00 0.00 54.79 56.04 1k53 n ASP 43 Cb 0.35 0.30 0.04 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.87 1.78 0.00 -2.24 3.02 0.27 -4.99 115.26 110.24 1k53 n ASN 44 Ca -0.13 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 1k53 n ASN 44 Cb 0.89 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 1k53 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k53 n GLY 45 N 0.20 -0.31 3.75 7.41 0.00 0.80 -0.38 105.19 116.66 1k53 n GLY 45 Ca 0.04 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1k53 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k53 s GLU 46 N -1.94 2.80 0.21 1.61 -1.05 -1.26 -4.32 118.70 114.75 1k53 s GLU 46 Ca 0.00 1.82 0.08 0.00 -0.15 0.00 0.00 54.97 56.73 1k53 s GLU 46 Cb 0.00 -1.91 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 1k53 s GLU 46 CO 0.00 -1.34 -0.01 1.67 0.95 0.00 0.00 175.26 176.53 1k53 s TRP 47 N -1.66 2.76 -0.02 4.83 1.48 -1.26 -0.89 118.94 124.17 1k53 s TRP 47 Ca 0.77 -0.18 0.03 0.00 -1.06 0.00 0.00 56.10 55.66 1k53 s TRP 47 Cb -0.30 -1.29 -0.00 0.00 -1.16 0.00 0.00 33.47 30.71 1k53 s TRP 47 CO 0.36 0.56 -0.11 0.99 -4.06 0.00 0.00 176.95 174.68 1k53 s THR 48 N -1.96 0.92 -0.00 0.66 2.01 -0.17 -4.97 115.64 112.12 1k53 s THR 48 Ca 0.29 -0.45 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1k53 s THR 48 Cb -0.08 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1k53 s THR 48 CO 0.19 0.27 -0.25 0.54 -0.69 0.00 0.00 174.62 174.68 1k53 s VAL 49 N 0.04 2.21 -0.16 3.82 0.11 -1.26 -0.71 120.40 124.44 1k53 s VAL 49 Ca -0.01 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1k53 s VAL 49 Cb -0.08 -1.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1k53 s VAL 49 CO 0.00 0.51 -0.10 -1.81 -3.33 0.00 0.00 175.10 170.37 1k53 s ASP 50 N -0.85 2.81 0.15 3.54 1.01 -0.49 -4.98 116.67 117.86 1k53 s ASP 50 Ca 0.11 -0.60 -0.21 0.00 0.71 0.00 0.00 52.55 52.56 1k53 s ASP 50 Cb -0.10 -1.07 -0.08 0.00 1.01 0.00 0.00 42.92 42.69 1k53 s ASP 50 CO 0.00 -0.12 0.69 -0.69 0.21 0.00 0.00 175.17 175.26 1k53 s VAL 51 N 1.54 4.56 0.28 -1.27 1.01 -1.26 -1.44 120.40 123.81 1k53 s VAL 51 Ca 0.02 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1k53 s VAL 51 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1k53 s VAL 51 CO -0.09 0.44 0.19 0.00 0.00 0.00 0.00 175.10 175.65 1k53 s ALA 52 N -1.25 1.64 -1.35 5.51 0.00 -0.02 -4.89 121.76 121.40 1k53 s ALA 52 Ca 0.35 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.41 1k53 s ALA 52 Cb -0.20 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.28 1k53 s ALA 52 CO 0.22 -0.60 0.48 -0.25 0.00 0.00 0.00 175.76 175.62 1k53 n ASP 53 N -0.93 -1.33 -2.56 0.00 8.00 -1.26 -1.22 116.55 117.25 1k53 n ASP 53 Ca 0.04 -1.03 -0.14 0.00 0.71 0.00 0.00 54.79 54.37 1k53 n ASP 53 Cb 0.64 -3.01 -0.00 0.00 -0.02 0.00 0.00 41.12 38.73 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 -4.40 -2.44 -0.01 -1.24 5.02 -1.26 -1.30 118.16 112.52 1k53 n LYS 54 Ca -0.26 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1k53 n LYS 54 Cb 0.66 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 1k53 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k53 n GLY 55 N -0.86 0.26 0.01 0.72 0.00 -0.36 -4.91 105.19 100.05 1k53 n GLY 55 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.00 -4.66 1.61 4.02 -0.42 -4.74 117.16 110.97 1k53 n TYR 56 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1k53 n TYR 56 Cb 0.00 -0.37 -0.17 0.00 -0.02 0.00 0.00 39.34 38.78 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 -2.93 1.44 -0.24 -0.72 2.01 -0.88 -0.61 115.64 113.70 1k53 s THR 57 Ca 0.15 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1k53 s THR 57 Cb 0.19 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.45 1k53 s THR 57 CO 0.58 0.43 -0.12 -0.76 -0.69 0.00 0.00 174.62 174.06 1k53 s LEU 58 N 0.72 3.17 -0.59 4.42 1.43 0.53 -0.84 118.68 127.51 1k53 s LEU 58 Ca -0.13 -1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 51.57 1k53 s LEU 58 Cb -0.16 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1k53 s LEU 58 CO 0.03 -0.15 0.72 0.20 0.23 0.00 0.00 176.35 177.38 1k53 s ASN 59 N 1.15 6.18 -0.32 2.29 0.01 -0.52 -0.46 114.94 123.27 1k53 s ASN 59 Ca -0.06 -1.37 -0.10 0.00 -0.71 0.00 0.00 52.86 50.62 1k53 s ASN 59 Cb -0.18 -2.31 -0.00 0.00 0.41 0.00 0.00 41.25 39.16 1k53 s ASN 59 CO -0.07 -1.14 0.17 -0.63 -1.51 0.00 0.00 177.10 173.92 1k53 s ILE 60 N 2.81 4.65 -0.11 0.60 1.01 -0.56 -1.40 121.20 128.20 1k53 s ILE 60 Ca 0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 1k53 s ILE 60 Cb -0.23 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1k53 s ILE 60 CO 0.07 0.02 -0.02 -0.75 0.00 0.00 0.00 174.94 174.26 1k53 s LYS 61 N 1.61 3.22 -0.17 2.79 2.20 0.11 -0.34 119.74 129.16 1k53 s LYS 61 Ca 0.04 -0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 55.12 1k53 s LYS 61 Cb -0.17 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1k53 s LYS 61 CO 0.07 0.53 0.07 -0.06 -0.36 0.00 0.00 175.35 175.60 1k53 s PHE 62 N -0.41 3.30 0.20 4.03 0.40 0.26 -1.00 117.98 124.74 1k53 s PHE 62 Ca 0.07 0.16 0.34 0.00 -0.60 0.00 0.00 56.93 56.90 1k53 s PHE 62 Cb -0.12 -2.05 1.46 0.00 0.51 0.00 0.00 43.02 42.81 1k53 s PHE 62 CO 0.02 0.25 2.02 0.00 0.70 0.00 0.00 175.22 178.22 1k53 h ALA 63 N 6.40 1.02 0.00 5.36 0.00 -1.11 -3.05 119.26 127.89 1k53 h ALA 63 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1k53 h ALA 63 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k53 h ALA 63 CO 0.69 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.39