#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k52 n HIS -6 N 0.00 -2.04 -1.66 2.03 -0.00 -1.26 -4.82 115.22 107.47 1k52 n HIS -6 Ca 0.00 0.78 -0.61 0.00 -0.00 0.00 0.00 57.72 57.89 1k52 n HIS -6 Cb 0.00 -3.49 -0.08 0.00 -0.00 0.00 0.00 29.99 26.41 1k52 n HIS -6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1k52 n HIS -5 N -4.45 1.56 -3.68 4.41 -0.00 -1.26 -4.98 115.22 106.82 1k52 n HIS -5 Ca 0.04 0.90 -0.17 0.00 -0.00 0.00 0.00 57.72 58.49 1k52 n HIS -5 Cb 0.52 -2.28 -0.16 0.00 -0.00 0.00 0.00 29.99 28.07 1k52 n HIS -5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1k52 s HIS -4 N 2.16 -0.11 -0.48 1.57 5.04 -1.26 -5.10 115.29 117.11 1k52 s HIS -4 Ca 0.97 0.49 -0.19 0.00 -1.54 0.00 0.00 55.06 54.80 1k52 s HIS -4 Cb -1.26 -0.29 0.04 0.00 0.04 0.00 0.00 32.58 31.12 1k52 s HIS -4 CO 0.67 -0.23 0.60 -1.01 -2.34 0.00 0.00 174.74 172.43 1k52 s HIS -3 N 2.07 3.07 0.25 3.88 3.76 -1.26 -5.05 115.29 122.01 1k52 s HIS -3 Ca 0.01 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1k52 s HIS -3 Cb -0.12 -3.38 -0.09 0.00 1.11 0.00 0.00 32.58 30.10 1k52 s HIS -3 CO -0.05 -0.94 0.92 -1.58 -0.85 0.00 0.00 174.74 172.24 1k52 s HIS -2 N 2.60 3.92 -0.03 1.40 2.46 -1.26 -5.06 115.29 119.32 1k52 s HIS -2 Ca 0.16 1.86 -0.01 0.00 0.47 0.00 0.00 55.06 57.55 1k52 s HIS -2 Cb -0.18 -2.94 0.03 0.00 -0.13 0.00 0.00 32.58 29.36 1k52 s HIS -2 CO 0.14 0.42 0.03 -1.01 -2.47 0.00 0.00 174.74 171.85 1k52 s HIS -1 N -1.26 0.14 0.50 3.88 3.76 -1.26 -5.04 115.29 116.02 1k52 s HIS -1 Ca 0.42 0.12 0.24 0.00 -0.15 0.00 0.00 55.06 55.69 1k52 s HIS -1 Cb -0.24 -0.39 1.32 0.00 1.11 0.00 0.00 32.58 34.38 1k52 s HIS -1 CO 0.30 -0.14 1.94 0.00 -0.85 0.00 0.00 174.74 175.98 1k52 h ALA 0 N 7.69 2.49 -0.28 -1.40 0.00 -2.05 -0.35 119.26 125.35 1k52 h ALA 0 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1k52 h ALA 0 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k52 h ALA 0 CO 0.37 -0.70 0.00 -1.33 0.00 0.00 0.00 179.25 177.59 1k52 n MET 1 N -4.38 2.05 -1.79 0.00 0.00 -1.26 -4.85 117.12 106.88 1k52 n MET 1 Ca 0.14 -1.59 -0.38 0.00 0.00 0.00 0.00 57.70 55.87 1k52 n MET 1 Cb 0.70 -1.43 0.04 0.00 0.00 0.00 0.00 33.22 32.54 1k52 n MET 1 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1k52 s GLU 2 N -1.63 3.05 -0.17 0.03 -1.05 -0.15 -5.01 118.70 113.77 1k52 s GLU 2 Ca 0.34 2.19 -0.01 0.00 -0.15 0.00 0.00 54.97 57.34 1k52 s GLU 2 Cb 0.19 -2.18 0.05 0.00 -0.44 0.00 0.00 34.13 31.75 1k52 s GLU 2 CO 0.27 -1.24 -0.03 -1.21 0.95 0.00 0.00 175.26 174.00 1k52 s GLU 3 N -2.99 1.25 0.32 -4.83 8.01 -1.26 -3.59 118.70 115.60 1k52 s GLU 3 Ca 0.73 -0.52 0.03 0.00 0.01 0.00 0.00 54.97 55.22 1k52 s GLU 3 Cb -0.39 -2.04 -0.05 0.00 -4.31 0.00 0.00 34.13 27.34 1k52 s GLU 3 CO 0.46 -0.49 0.09 0.14 0.01 0.00 0.00 175.26 175.47 1k52 s VAL 4 N 1.67 0.79 -0.11 2.63 -7.23 0.02 -4.94 120.40 113.22 1k52 s VAL 4 Ca -0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1k52 s VAL 4 Cb -0.16 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1k52 s VAL 4 CO -0.07 0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.67 1k52 s THR 5 N -3.46 1.50 -0.21 5.32 2.01 -1.26 -2.28 115.64 117.26 1k52 s THR 5 Ca 0.35 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1k52 s THR 5 Cb 0.07 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1k52 s THR 5 CO 0.15 0.44 0.06 -0.63 -0.69 0.00 0.00 174.62 173.95 1k52 s ILE 6 N 1.00 4.52 -0.27 1.82 -1.09 0.71 -4.91 121.20 122.98 1k52 s ILE 6 Ca -0.06 -0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.14 1k52 s ILE 6 Cb -0.15 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1k52 s ILE 6 CO -0.02 0.40 0.15 -0.75 -1.23 0.00 0.00 174.94 173.50 1k52 s LYS 7 N 0.93 3.87 -0.31 2.79 2.20 -0.17 -1.15 119.74 127.90 1k52 s LYS 7 Ca 0.04 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.20 1k52 s LYS 7 Cb -0.14 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1k52 s LYS 7 CO 0.03 -0.16 0.13 0.00 -0.36 0.00 0.00 175.35 174.99 1k52 s ALA 8 N 1.64 3.19 -0.38 3.13 0.00 0.11 -0.56 121.76 128.88 1k52 s ALA 8 Ca 0.07 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1k52 s ALA 8 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.65 1k52 s ALA 8 CO 0.08 -1.00 0.34 -0.80 0.00 0.00 0.00 175.76 174.38 1k52 s ASN 9 N 1.55 6.14 -0.12 0.00 0.01 -0.10 -1.07 114.94 121.34 1k52 s ASN 9 Ca 0.03 -0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 51.53 1k52 s ASN 9 Cb -0.17 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 1k52 s ASN 9 CO 0.05 -0.41 0.12 -0.76 -1.51 0.00 0.00 177.10 174.58 1k52 s LEU 10 N 1.88 4.26 -0.08 0.60 1.43 0.37 -1.05 118.68 126.08 1k52 s LEU 10 Ca 0.09 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1k52 s LEU 10 Cb -0.18 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1k52 s LEU 10 CO 0.11 0.39 -0.13 -0.63 0.23 0.00 0.00 176.35 176.33 1k52 s ILE 11 N -0.90 1.24 0.41 -0.59 1.01 -0.15 -2.47 121.20 119.74 1k52 s ILE 11 Ca 0.14 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.34 1k52 s ILE 11 Cb -0.12 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1k52 s ILE 11 CO 0.03 0.38 0.57 -0.36 0.00 0.00 0.00 174.94 175.57 1k52 s PHE 12 N 0.88 2.94 0.31 3.97 0.08 -0.28 -1.09 117.98 124.79 1k52 s PHE 12 Ca -0.10 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 56.76 1k52 s PHE 12 Cb -0.15 -2.30 0.73 0.00 -0.57 0.00 0.00 43.02 40.73 1k52 s PHE 12 CO 0.01 -0.34 1.80 0.00 -0.10 0.00 0.00 175.22 176.59 1k52 h ALA 13 N 0.64 1.69 -0.18 5.36 0.00 -1.83 0.16 119.26 125.09 1k52 h ALA 13 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1k52 h ALA 13 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k52 h ALA 13 CO 0.49 -0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.00 1k52 n ASN 14 N -4.69 1.02 0.00 0.00 2.04 -1.26 -4.88 115.26 107.48 1k52 n ASN 14 Ca 0.22 -1.96 0.00 0.00 -0.44 0.00 0.00 54.58 52.39 1k52 n ASN 14 Cb 0.52 -0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.65 1k52 n ASN 14 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1k52 n GLY 15 N 0.82 1.48 3.70 4.83 0.00 0.04 -5.05 105.19 111.01 1k52 n GLY 15 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1k52 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k52 s SER 16 N -2.95 3.36 0.23 1.61 1.04 -1.26 -4.69 113.70 111.03 1k52 s SER 16 Ca 0.00 1.93 -0.03 0.00 0.48 0.00 0.00 55.95 58.33 1k52 s SER 16 Cb 0.00 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1k52 s SER 16 CO 0.00 -2.78 0.23 0.42 0.98 0.00 0.00 173.24 172.09 1k52 s THR 17 N -2.75 0.00 -0.20 2.02 -4.23 -1.26 -1.13 115.64 108.08 1k52 s THR 17 Ca 0.65 -1.86 -0.33 0.00 -1.18 0.00 0.00 61.69 58.97 1k52 s THR 17 Cb -0.20 -2.44 0.15 0.00 1.34 0.00 0.00 72.50 71.34 1k52 s THR 17 CO 0.58 0.00 1.19 0.00 -0.54 0.00 0.00 174.62 175.85 1k52 s GLN 18 N -4.03 0.32 -0.03 3.99 -2.07 -1.03 -5.02 119.66 111.78 1k52 s GLN 18 Ca 0.35 -0.05 0.05 0.00 -1.82 0.00 0.00 55.36 53.89 1k52 s GLN 18 Cb 0.05 0.15 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1k52 s GLN 18 CO 0.13 -0.13 -0.18 0.99 -1.32 0.00 0.00 175.29 174.78 1k52 s THR 19 N -1.93 1.49 -0.03 3.63 2.01 -1.26 -0.48 115.64 119.07 1k52 s THR 19 Ca 0.07 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.34 1k52 s THR 19 Cb -0.01 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1k52 s THR 19 CO -0.05 0.43 -0.15 0.00 -0.69 0.00 0.00 174.62 174.16 1k52 s ALA 20 N -0.18 1.35 -0.03 7.40 0.00 -0.24 -4.98 121.76 125.08 1k52 s ALA 20 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1k52 s ALA 20 Cb -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1k52 s ALA 20 CO 0.01 0.28 -0.03 -1.21 0.00 0.00 0.00 175.76 174.81 1k52 s GLU 21 N -0.12 2.76 -0.06 0.00 2.02 -1.26 -0.71 118.70 121.34 1k52 s GLU 21 Ca 0.01 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1k52 s GLU 21 Cb -0.09 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.51 1k52 s GLU 21 CO 0.01 0.64 -0.13 -0.06 0.02 0.00 0.00 175.26 175.74 1k52 s PHE 22 N -0.96 1.51 0.04 1.61 0.40 -0.30 -4.97 117.98 115.31 1k52 s PHE 22 Ca 0.16 -0.52 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1k52 s PHE 22 Cb -0.11 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 1k52 s PHE 22 CO 0.06 -0.24 -0.25 0.15 0.70 0.00 0.00 175.22 175.64 1k52 s LYS 23 N 0.47 1.70 0.00 0.44 1.02 -1.26 -0.21 119.74 121.90 1k52 s LYS 23 Ca -0.11 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1k52 s LYS 23 Cb -0.14 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1k52 s LYS 23 CO 0.03 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 1k52 n GLY 24 N 1.80 0.10 3.72 -3.33 0.00 -0.97 -4.70 105.19 101.81 1k52 n GLY 24 Ca -0.17 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1k52 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k52 s THR 25 N -3.54 2.81 0.21 2.61 -4.23 -1.24 -0.80 115.64 111.46 1k52 s THR 25 Ca 0.00 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.67 1k52 s THR 25 Cb 0.00 -2.67 0.14 0.00 1.34 0.00 0.00 72.50 71.30 1k52 s THR 25 CO 0.00 -0.34 1.81 0.15 -0.54 0.00 0.00 174.62 175.70 1k52 h PHE 26 N -1.48 0.69 -0.13 3.99 3.04 -1.91 -0.46 116.94 120.68 1k52 h PHE 26 Ca -0.47 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 1k52 h PHE 26 Cb 1.26 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 1k52 h PHE 26 CO 0.48 0.34 0.03 0.93 -2.02 0.00 0.00 178.31 178.08 1k52 h GLU 27 N 0.70 0.20 -0.36 1.11 3.07 -1.99 -1.85 114.58 115.45 1k52 h GLU 27 Ca 0.29 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 1k52 h GLU 27 Cb 0.15 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1k52 h GLU 27 CO -0.16 0.37 -0.08 -0.22 -1.40 0.00 0.00 179.01 177.51 1k52 h LYS 28 N 0.00 0.69 -0.67 2.33 1.63 -1.88 -1.51 116.57 117.17 1k52 h LYS 28 Ca 0.04 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.52 1k52 h LYS 28 Cb 0.26 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1k52 h LYS 28 CO 0.00 0.85 0.21 0.00 -3.45 0.00 0.00 179.45 177.05 1k52 h ALA 29 N 0.83 1.10 -0.34 5.00 0.00 -1.12 -0.20 119.26 124.53 1k52 h ALA 29 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1k52 h ALA 29 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1k52 h ALA 29 CO 0.03 0.62 0.10 1.15 0.00 0.00 0.00 179.25 181.15 1k52 h THR 30 N 0.99 1.22 -0.90 0.00 2.02 -1.21 -1.29 112.91 113.74 1k52 h THR 30 Ca 0.22 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1k52 h THR 30 Cb 0.28 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1k52 h THR 30 CO -0.01 0.24 0.54 0.28 0.37 0.00 0.00 175.52 176.94 1k52 h SER 31 N 0.40 1.08 -0.55 4.18 0.02 -0.86 -2.32 113.55 115.50 1k52 h SER 31 Ca 0.11 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1k52 h SER 31 Cb 0.28 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1k52 h SER 31 CO -0.00 0.83 0.15 -0.33 -1.14 0.00 0.00 176.83 176.34 1k52 h GLU 32 N 1.23 0.92 -0.08 3.45 5.08 -0.77 -0.57 114.58 123.84 1k52 h GLU 32 Ca 0.32 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1k52 h GLU 32 Cb -0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1k52 h GLU 32 CO -0.06 0.82 0.04 0.00 -1.00 0.00 0.00 179.01 178.81 1k52 h ALA 33 N 1.27 0.11 -0.33 3.43 0.00 -0.75 -1.21 119.26 121.79 1k52 h ALA 33 Ca 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1k52 h ALA 33 Cb 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1k52 h ALA 33 CO -0.00 -0.31 -0.06 1.88 0.00 0.00 0.00 179.25 180.76 1k52 h TYR 34 N -0.01 0.56 -0.60 0.00 0.05 -1.28 -2.01 116.97 113.67 1k52 h TYR 34 Ca 0.03 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1k52 h TYR 34 Cb 0.15 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1k52 h TYR 34 CO -0.02 0.58 0.16 0.00 -1.05 0.00 0.00 178.16 177.83 1k52 h ALA 35 N 1.45 1.15 -0.43 3.88 0.00 -0.78 -0.63 119.26 123.90 1k52 h ALA 35 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1k52 h ALA 35 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1k52 h ALA 35 CO 0.02 0.58 0.03 -0.92 0.00 0.00 0.00 179.25 178.96 1k52 h TYR 36 N 0.90 0.80 -0.80 0.00 3.20 -0.66 -1.94 116.97 118.48 1k52 h TYR 36 Ca 0.20 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1k52 h TYR 36 Cb 0.30 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1k52 h TYR 36 CO 0.02 0.78 0.51 0.00 -1.64 0.00 0.00 178.16 177.83 1k52 h ALA 37 N 0.92 1.04 -0.72 1.82 0.00 -0.90 -1.79 119.26 119.63 1k52 h ALA 37 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k52 h ALA 37 Cb 0.44 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1k52 h ALA 37 CO 0.02 0.34 0.39 -0.44 0.00 0.00 0.00 179.25 179.55 1k52 h ASP 38 N 1.01 0.89 0.57 0.00 3.32 -0.78 -1.57 116.42 119.85 1k52 h ASP 38 Ca 0.31 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1k52 h ASP 38 Cb -0.01 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1k52 h ASP 38 CO -0.10 0.72 -0.12 0.71 -1.72 0.00 0.00 179.24 178.73 1k52 h THR 39 N 1.00 0.43 -0.00 0.35 1.35 -0.55 -2.49 112.91 112.98 1k52 h THR 39 Ca 0.25 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1k52 h THR 39 Cb 0.03 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1k52 h THR 39 CO -0.04 0.12 -0.36 0.18 -0.25 0.00 0.00 175.52 175.17 1k52 n LEU 40 N -3.44 0.78 -0.23 3.87 4.77 -0.62 -4.34 117.00 117.79 1k52 n LEU 40 Ca -0.01 -0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 1k52 n LEU 40 Cb 0.28 -0.18 0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1k52 n LEU 40 CO 0.29 0.16 0.97 0.50 -1.33 0.00 0.00 177.39 177.99 1k52 h LYS 41 N 0.65 1.06 -0.64 3.23 3.64 -1.13 -1.22 116.57 122.17 1k52 h LYS 41 Ca 0.00 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1k52 h LYS 41 Cb 0.50 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 1k52 h LYS 41 CO 0.00 0.93 0.32 -0.22 -2.27 0.00 0.00 179.45 178.21 1k52 h LYS 42 N 1.02 0.56 0.00 1.90 3.64 -1.77 0.19 116.57 122.10 1k52 h LYS 42 Ca 0.22 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 1k52 h LYS 42 Cb 0.32 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1k52 h LYS 42 CO -0.00 0.37 -1.32 -0.44 -2.27 0.00 0.00 179.45 175.79 1k52 h ASP 43 N 0.58 0.00 -0.01 4.20 3.32 -1.85 -3.40 116.42 119.26 1k52 h ASP 43 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1k52 h ASP 43 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1k52 h ASP 43 CO -0.23 0.55 -0.08 0.59 -1.72 0.00 0.00 179.24 178.35 1k52 n ASN 44 N -2.91 1.48 0.00 6.45 3.02 -0.46 -4.99 115.26 117.84 1k52 n ASN 44 Ca -0.08 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1k52 n ASN 44 Cb 0.82 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 1k52 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k52 n GLY 45 N 0.65 -0.30 3.75 7.41 0.00 0.64 -0.59 105.19 116.75 1k52 n GLY 45 Ca 0.05 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1k52 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k52 s GLU 46 N -1.30 2.74 0.22 1.61 -1.05 -1.26 -4.36 118.70 115.30 1k52 s GLU 46 Ca 0.00 1.80 0.09 0.00 -0.15 0.00 0.00 54.97 56.71 1k52 s GLU 46 Cb 0.00 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 1k52 s GLU 46 CO 0.00 -1.38 -0.07 1.67 0.95 0.00 0.00 175.26 176.43 1k52 s TRP 47 N -1.72 2.63 -0.02 4.83 1.48 -1.26 -0.61 118.94 124.26 1k52 s TRP 47 Ca 0.76 -0.23 0.04 0.00 -1.06 0.00 0.00 56.10 55.61 1k52 s TRP 47 Cb -0.30 -1.22 -0.01 0.00 -1.16 0.00 0.00 33.47 30.78 1k52 s TRP 47 CO 0.37 0.57 -0.14 0.99 -4.06 0.00 0.00 176.95 174.68 1k52 s THR 48 N -2.02 1.13 0.04 0.66 2.01 0.13 -4.96 115.64 112.63 1k52 s THR 48 Ca 0.28 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.78 1k52 s THR 48 Cb -0.07 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1k52 s THR 48 CO 0.17 0.33 -0.24 0.54 -0.69 0.00 0.00 174.62 174.72 1k52 s VAL 49 N -0.16 1.98 -0.17 3.82 0.11 -1.26 -0.76 120.40 123.96 1k52 s VAL 49 Ca 0.02 -1.30 -0.00 0.00 -2.93 0.00 0.00 61.98 57.77 1k52 s VAL 49 Cb -0.07 -1.69 0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1k52 s VAL 49 CO 0.00 0.33 -0.07 -1.81 -3.33 0.00 0.00 175.10 170.22 1k52 s ASP 50 N -1.16 2.99 0.13 3.54 1.01 -0.30 -4.99 116.67 117.87 1k52 s ASP 50 Ca 0.10 -0.72 -0.27 0.00 0.71 0.00 0.00 52.55 52.38 1k52 s ASP 50 Cb -0.10 -1.03 -0.07 0.00 1.01 0.00 0.00 42.92 42.74 1k52 s ASP 50 CO 0.02 -0.16 0.85 -0.69 0.21 0.00 0.00 175.17 175.39 1k52 s VAL 51 N 1.55 4.47 0.29 -1.27 1.01 -1.26 -1.41 120.40 123.78 1k52 s VAL 51 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1k52 s VAL 51 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1k52 s VAL 51 CO -0.08 0.42 0.18 0.00 0.00 0.00 0.00 175.10 175.61 1k52 s ALA 52 N -0.52 1.80 -1.44 5.51 0.00 0.06 -4.88 121.76 122.29 1k52 s ALA 52 Ca 0.40 -1.80 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 1k52 s ALA 52 Cb -0.23 1.25 0.02 0.00 0.00 0.00 0.00 23.12 24.17 1k52 s ALA 52 CO 0.27 -0.55 0.49 -0.25 0.00 0.00 0.00 175.76 175.72 1k52 n ASP 53 N -0.92 -0.84 -1.31 0.00 8.00 -1.26 -0.98 116.55 119.22 1k52 n ASP 53 Ca 0.02 -0.99 -0.17 0.00 0.71 0.00 0.00 54.79 54.36 1k52 n ASP 53 Cb 0.65 -3.08 -0.07 0.00 -0.02 0.00 0.00 41.12 38.59 1k52 n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k52 n GLY 54 N -1.89 1.66 0.00 0.44 0.00 -1.26 -1.93 105.19 102.20 1k52 n GLY 54 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1k52 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k52 n GLY 55 N -0.38 0.40 0.02 -0.02 0.00 -0.16 -4.95 105.19 100.11 1k52 n GLY 55 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1k52 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k52 n TYR 56 N -1.52 0.00 -4.45 1.61 4.01 -0.81 -4.72 117.16 111.27 1k52 n TYR 56 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1k52 n TYR 56 Cb 0.00 -0.38 -0.17 0.00 -0.31 0.00 0.00 39.34 38.48 1k52 n TYR 56 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1k52 s THR 57 N -2.88 1.06 -0.27 -0.72 2.01 -0.92 -1.00 115.64 112.93 1k52 s THR 57 Ca 0.17 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1k52 s THR 57 Cb 0.19 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.76 1k52 s THR 57 CO 0.55 0.34 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.99 1k52 s LEU 58 N 0.82 3.50 -0.52 4.42 1.43 0.28 -0.76 118.68 127.85 1k52 s LEU 58 Ca -0.12 -1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 51.54 1k52 s LEU 58 Cb -0.15 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.51 1k52 s LEU 58 CO 0.02 -0.20 0.64 0.20 0.23 0.00 0.00 176.35 177.24 1k52 s ASN 59 N 1.19 6.22 -0.16 2.29 0.01 -0.50 -0.93 114.94 123.06 1k52 s ASN 59 Ca -0.06 -0.95 -0.04 0.00 -0.71 0.00 0.00 52.86 51.11 1k52 s ASN 59 Cb -0.19 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 1k52 s ASN 59 CO -0.04 -0.92 -0.04 -0.63 -1.51 0.00 0.00 177.10 173.96 1k52 s ILE 60 N 2.66 3.77 -0.07 0.60 1.01 -0.21 -1.15 121.20 127.81 1k52 s ILE 60 Ca 0.15 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1k52 s ILE 60 Cb -0.20 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1k52 s ILE 60 CO 0.11 0.48 -0.19 -0.75 0.00 0.00 0.00 174.94 174.60 1k52 s LYS 61 N 0.55 2.68 -0.14 2.79 2.20 0.06 -0.98 119.74 126.90 1k52 s LYS 61 Ca -0.03 -0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 54.72 1k52 s LYS 61 Cb -0.14 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1k52 s LYS 61 CO 0.03 0.44 0.10 -0.06 -0.36 0.00 0.00 175.35 175.50 1k52 s PHE 62 N -0.28 3.41 0.07 4.03 0.40 -0.25 -0.69 117.98 124.67 1k52 s PHE 62 Ca 0.01 0.34 0.17 0.00 -0.60 0.00 0.00 56.93 56.85 1k52 s PHE 62 Cb -0.13 -1.98 0.47 0.00 0.51 0.00 0.00 43.02 41.89 1k52 s PHE 62 CO 0.03 0.49 1.63 0.00 0.70 0.00 0.00 175.22 178.07 1k52 h ALA 63 N 5.67 0.87 0.00 5.36 0.00 -0.96 -3.04 119.26 127.16 1k52 h ALA 63 Ca -0.48 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1k52 h ALA 63 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k52 h ALA 63 CO 0.63 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.84