#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 -2.40 -1.63 3.17 -0.00 -1.26 -4.86 115.22 108.24 1k52 n HIS -6 Ca 0.00 0.93 -0.52 0.00 -0.00 0.00 0.00 57.72 58.12 1k52 n HIS -6 Cb 0.00 -4.22 -0.06 0.00 -0.00 0.00 0.00 29.99 25.71 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 -4.72 1.78 -3.69 4.41 -0.00 -1.26 -4.95 115.22 106.79 1k52 n HIS -5 Ca 0.01 0.53 -0.12 0.00 -0.00 0.00 0.00 57.72 58.15 1k52 n HIS -5 Cb 0.54 -2.41 -0.12 0.00 -0.00 0.00 0.00 29.99 28.00 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 1.46 -0.48 -0.42 1.57 2.46 -1.26 -5.10 115.29 113.51 1k52 s HIS -4 Ca 0.87 1.05 -0.19 0.00 0.47 0.00 0.00 55.06 57.27 1k52 s HIS -4 Cb -0.93 0.10 0.02 0.00 -0.13 0.00 0.00 32.58 31.64 1k52 s HIS -4 CO 0.50 -0.33 0.53 -1.01 -2.47 0.00 0.00 174.74 171.96 1k52 s HIS -3 N 1.85 3.13 0.22 3.88 3.76 -1.26 -5.04 115.29 121.82 1k52 s HIS -3 Ca -0.05 -0.21 -0.28 0.00 -0.15 0.00 0.00 55.06 54.37 1k52 s HIS -3 Cb -0.11 -3.08 -0.09 0.00 1.11 0.00 0.00 32.58 30.41 1k52 s HIS -3 CO -0.10 -0.76 0.88 -1.58 -0.85 0.00 0.00 174.74 172.33 1k52 s HIS -2 N 2.43 3.93 -0.04 1.40 2.46 -1.26 -5.06 115.29 119.16 1k52 s HIS -2 Ca 0.17 1.80 -0.00 0.00 0.47 0.00 0.00 55.06 57.50 1k52 s HIS -2 Cb -0.16 -2.90 0.03 0.00 -0.13 0.00 0.00 32.58 29.42 1k52 s HIS -2 CO 0.16 0.46 0.00 -1.01 -2.47 0.00 0.00 174.74 171.88 1k52 s HIS -1 N -1.21 0.37 0.51 3.88 3.76 -1.26 -5.03 115.29 116.31 1k52 s HIS -1 Ca 0.40 -0.01 0.24 0.00 -0.15 0.00 0.00 55.06 55.54 1k52 s HIS -1 Cb -0.24 -0.49 1.33 0.00 1.11 0.00 0.00 32.58 34.28 1k52 s HIS -1 CO 0.29 -0.17 1.96 0.00 -0.85 0.00 0.00 174.74 175.98 1k52 h ALA 0 N 7.55 2.46 -0.31 -1.40 0.00 -2.05 -0.49 119.26 125.01 1k52 h ALA 0 Ca -0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1k52 h ALA 0 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1k52 h ALA 0 CO 0.40 -0.64 0.00 -1.33 0.00 0.00 0.00 179.25 177.69 1k52 n MET 1 N -4.39 2.00 -2.01 0.00 0.00 -1.26 -4.87 117.12 106.58 1k52 n MET 1 Ca 0.12 -1.52 -0.40 0.00 0.00 0.00 0.00 57.70 55.90 1k52 n MET 1 Cb 0.64 -1.40 -0.00 0.00 0.00 0.00 0.00 33.22 32.45 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 -1.59 4.02 -0.22 0.03 -1.05 -0.20 -5.01 118.70 114.69 1k52 s GLU 2 Ca 0.33 2.23 0.01 0.00 -0.15 0.00 0.00 54.97 57.39 1k52 s GLU 2 Cb 0.18 -2.82 0.05 0.00 -0.44 0.00 0.00 34.13 31.10 1k52 s GLU 2 CO 0.25 -0.48 -0.06 -1.21 0.95 0.00 0.00 175.26 174.71 1k52 s GLU 3 N -2.17 1.67 0.38 -4.83 0.41 -1.26 -3.44 118.70 109.46 1k52 s GLU 3 Ca 0.55 -0.88 0.04 0.00 -0.41 0.00 0.00 54.97 54.27 1k52 s GLU 3 Cb -0.40 -2.46 -0.05 0.00 -1.78 0.00 0.00 34.13 29.44 1k52 s GLU 3 CO 0.52 -0.54 0.06 0.14 -0.49 0.00 0.00 175.26 174.95 1k52 s VAL 4 N 1.44 1.14 -0.10 2.63 -7.23 0.40 -4.93 120.40 113.75 1k52 s VAL 4 Ca -0.04 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1k52 s VAL 4 Cb -0.18 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1k52 s VAL 4 CO -0.07 0.00 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.69 1k52 s THR 5 N -3.14 1.36 -0.25 5.32 2.01 -1.26 -2.36 115.64 117.31 1k52 s THR 5 Ca 0.29 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 1k52 s THR 5 Cb 0.06 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1k52 s THR 5 CO 0.14 0.41 0.08 -0.63 -0.69 0.00 0.00 174.62 173.93 1k52 s ILE 6 N 0.97 4.39 -0.42 1.82 -1.09 0.25 -4.92 121.20 122.20 1k52 s ILE 6 Ca -0.08 -0.14 -0.22 0.00 -2.23 0.00 0.00 60.65 57.98 1k52 s ILE 6 Cb -0.15 -3.06 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1k52 s ILE 6 CO -0.01 0.33 0.74 -0.54 -1.23 0.00 0.00 174.94 174.24 1k52 s LYS 7 N 1.60 3.48 -0.46 2.79 1.02 -0.05 -1.18 119.74 126.95 1k52 s LYS 7 Ca 0.06 -0.06 -0.15 0.00 0.02 0.00 0.00 55.97 55.84 1k52 s LYS 7 Cb -0.15 -3.90 0.06 0.00 -0.52 0.00 0.00 37.83 33.32 1k52 s LYS 7 CO 0.04 -1.00 0.37 0.00 -0.92 0.00 0.00 175.35 173.84 1k52 s ALA 8 N 3.10 3.54 -0.62 5.17 0.00 -0.01 -0.55 121.76 132.38 1k52 s ALA 8 Ca 0.28 -2.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.01 1k52 s ALA 8 Cb -0.13 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 20.04 1k52 s ALA 8 CO 0.20 -1.66 0.90 -0.80 0.00 0.00 0.00 175.76 174.40 1k52 s ASN 9 N 2.37 6.20 -0.05 0.00 0.01 0.16 -0.79 114.94 122.84 1k52 s ASN 9 Ca 0.04 -0.94 -0.26 0.00 -0.71 0.00 0.00 52.86 50.99 1k52 s ASN 9 Cb -0.23 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1k52 s ASN 9 CO 0.07 -1.32 0.79 -0.76 -1.51 0.00 0.00 177.10 174.38 1k52 s LEU 10 N 3.74 4.33 -0.14 0.60 1.43 0.73 -1.43 118.68 127.94 1k52 s LEU 10 Ca 0.21 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1k52 s LEU 10 Cb -0.17 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1k52 s LEU 10 CO 0.11 -0.17 -0.14 -0.63 0.23 0.00 0.00 176.35 175.75 1k52 s ILE 11 N 0.91 1.54 0.22 -0.59 1.01 0.28 -1.52 121.20 123.05 1k52 s ILE 11 Ca 0.42 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1k52 s ILE 11 Cb -0.19 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 1k52 s ILE 11 CO 0.21 0.45 0.36 -0.36 0.00 0.00 0.00 174.94 175.61 1k52 s PHE 12 N 1.41 3.47 0.41 3.97 0.08 -0.43 -0.64 117.98 126.25 1k52 s PHE 12 Ca 0.03 0.09 0.14 0.00 0.12 0.00 0.00 56.93 57.32 1k52 s PHE 12 Cb -0.13 -1.66 1.00 0.00 -0.57 0.00 0.00 43.02 41.66 1k52 s PHE 12 CO -0.09 0.42 1.90 0.00 -0.10 0.00 0.00 175.22 177.35 1k52 h ALA 13 N 1.47 2.06 -0.06 5.36 0.00 -1.85 -0.03 119.26 126.22 1k52 h ALA 13 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1k52 h ALA 13 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k52 h ALA 13 CO 0.64 -0.29 0.00 0.27 0.00 0.00 0.00 179.25 179.87 1k52 n ASN 14 N -4.50 0.30 0.00 0.00 2.04 -1.26 -4.86 115.26 106.97 1k52 n ASN 14 Ca 0.16 -1.98 0.00 0.00 -0.44 0.00 0.00 54.58 52.32 1k52 n ASN 14 Cb 0.54 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 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 0.60 1.55 3.80 4.83 0.00 -0.02 -5.05 105.19 110.90 1k52 n GLY 15 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.11 5.56 0.12 1.61 1.04 -1.25 -4.81 113.70 112.85 1k52 s SER 16 Ca 0.00 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.23 1k52 s SER 16 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1k52 s SER 16 CO 0.00 -1.32 -0.02 0.42 0.98 0.00 0.00 173.24 173.30 1k52 s THR 17 N -2.59 0.53 -0.29 2.02 -4.23 -1.26 -1.31 115.64 108.52 1k52 s THR 17 Ca 0.63 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 59.06 1k52 s THR 17 Cb -0.16 -1.83 0.11 0.00 1.34 0.00 0.00 72.50 71.96 1k52 s THR 17 CO 0.42 -0.72 0.80 -1.58 -0.54 0.00 0.00 174.62 173.00 1k52 s GLN 18 N -3.90 0.57 -0.24 3.99 2.00 -0.57 -5.01 119.66 116.49 1k52 s GLN 18 Ca 0.16 1.04 -0.10 0.00 -2.00 0.00 0.00 55.36 54.46 1k52 s GLN 18 Cb 0.06 0.21 -0.05 0.00 0.80 0.00 0.00 33.01 34.03 1k52 s GLN 18 CO -0.02 -0.13 0.14 0.99 -0.50 0.00 0.00 175.29 175.77 1k52 s THR 19 N 1.71 5.16 -0.12 -0.34 2.01 -1.26 -0.19 115.64 122.62 1k52 s THR 19 Ca -0.09 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1k52 s THR 19 Cb -0.05 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1k52 s THR 19 CO -0.18 0.34 -0.19 0.00 -0.69 0.00 0.00 174.62 173.90 1k52 s ALA 20 N 1.14 2.37 -0.15 7.40 0.00 0.03 -4.96 121.76 127.59 1k52 s ALA 20 Ca 0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 1k52 s ALA 20 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1k52 s ALA 20 CO 0.05 0.24 0.16 -1.21 0.00 0.00 0.00 175.76 175.00 1k52 s GLU 21 N 0.39 3.88 -0.17 0.00 2.02 -1.26 -0.83 118.70 122.72 1k52 s GLU 21 Ca -0.15 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 1k52 s GLU 21 Cb -0.17 -3.32 -0.00 0.00 0.10 0.00 0.00 34.13 30.74 1k52 s GLU 21 CO 0.07 0.51 -0.12 -0.06 0.02 0.00 0.00 175.26 175.67 1k52 s PHE 22 N -0.26 2.84 0.02 1.61 0.40 -0.32 -4.94 117.98 117.32 1k52 s PHE 22 Ca 0.12 -1.02 0.05 0.00 -0.60 0.00 0.00 56.93 55.48 1k52 s PHE 22 Cb -0.12 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1k52 s PHE 22 CO 0.02 -0.49 -0.13 0.15 0.70 0.00 0.00 175.22 175.47 1k52 s LYS 23 N 0.98 2.30 0.00 0.44 1.02 -1.26 -0.58 119.74 122.64 1k52 s LYS 23 Ca -0.02 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1k52 s LYS 23 Cb -0.15 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1k52 s LYS 23 CO -0.02 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1k52 n GLY 24 N 1.58 0.18 3.74 -3.33 0.00 -1.00 -4.74 105.19 101.62 1k52 n GLY 24 Ca -0.16 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.56 3.00 0.17 2.61 -4.23 -1.22 -0.45 115.64 111.96 1k52 s THR 25 Ca 0.00 0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.70 1k52 s THR 25 Cb 0.00 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.10 1k52 s THR 25 CO 0.00 -0.43 1.79 0.15 -0.54 0.00 0.00 174.62 175.59 1k52 h PHE 26 N -1.33 0.45 -0.29 3.99 3.57 -1.92 -0.15 116.94 121.25 1k52 h PHE 26 Ca -0.46 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 1k52 h PHE 26 Cb 1.26 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1k52 h PHE 26 CO 0.51 0.23 -0.02 0.93 -2.23 0.00 0.00 178.31 177.72 1k52 h GLU 27 N 0.48 0.54 -0.15 1.11 3.07 -1.99 -2.40 114.58 115.24 1k52 h GLU 27 Ca 0.21 -0.18 -0.21 0.00 -0.50 0.00 0.00 59.36 58.67 1k52 h GLU 27 Cb 0.10 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1k52 h GLU 27 CO -0.14 0.70 -0.76 0.87 -1.40 0.00 0.00 179.01 178.28 1k52 h LYS 28 N 0.32 0.73 -0.70 2.33 6.56 -1.90 -2.35 116.57 121.56 1k52 h LYS 28 Ca 0.08 -0.59 -0.05 0.00 -1.06 0.00 0.00 60.65 59.03 1k52 h LYS 28 Cb 0.47 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.22 1k52 h LYS 28 CO 0.02 1.20 0.24 0.00 -2.06 0.00 0.00 179.45 178.85 1k52 h ALA 29 N 0.63 1.10 -0.21 3.86 0.00 -1.08 -0.25 119.26 123.31 1k52 h ALA 29 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1k52 h ALA 29 Cb 1.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1k52 h ALA 29 CO 0.15 0.62 0.10 1.15 0.00 0.00 0.00 179.25 181.28 1k52 h THR 30 N 1.03 1.14 -0.79 0.00 2.02 -1.39 -1.18 112.91 113.73 1k52 h THR 30 Ca 0.23 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1k52 h THR 30 Cb 0.26 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1k52 h THR 30 CO -0.01 0.14 0.52 0.28 0.37 0.00 0.00 175.52 176.81 1k52 h SER 31 N 0.22 0.89 0.06 4.18 0.02 -1.02 -2.52 113.55 115.37 1k52 h SER 31 Ca 0.07 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1k52 h SER 31 Cb 0.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1k52 h SER 31 CO -0.01 0.64 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.69 1k52 h GLU 32 N 1.05 0.37 -0.43 3.45 5.08 -0.82 -0.78 114.58 122.50 1k52 h GLU 32 Ca 0.30 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1k52 h GLU 32 Cb -0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1k52 h GLU 32 CO -0.08 0.63 0.14 0.00 -1.00 0.00 0.00 179.01 178.71 1k52 h ALA 33 N 1.37 0.56 -0.20 3.43 0.00 -0.81 -0.83 119.26 122.78 1k52 h ALA 33 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1k52 h ALA 33 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1k52 h ALA 33 CO 0.05 0.20 -0.35 1.88 0.00 0.00 0.00 179.25 181.03 1k52 h TYR 34 N 0.55 0.48 -0.64 0.00 0.05 -1.27 -1.62 116.97 114.53 1k52 h TYR 34 Ca 0.14 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1k52 h TYR 34 Cb 0.25 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1k52 h TYR 34 CO 0.01 0.72 0.15 0.00 -1.05 0.00 0.00 178.16 177.99 1k52 h ALA 35 N 1.27 1.05 -0.45 3.88 0.00 -0.80 -0.96 119.26 123.25 1k52 h ALA 35 Ca 0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1k52 h ALA 35 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1k52 h ALA 35 CO 0.06 0.62 -0.15 -0.92 0.00 0.00 0.00 179.25 178.86 1k52 h TYR 36 N 0.96 1.03 -0.97 0.00 3.20 -0.77 -2.55 116.97 117.87 1k52 h TYR 36 Ca 0.20 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1k52 h TYR 36 Cb 0.35 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1k52 h TYR 36 CO 0.02 1.02 0.64 0.00 -1.64 0.00 0.00 178.16 178.20 1k52 h ALA 37 N 0.86 1.36 -0.70 1.82 0.00 -0.91 -1.50 119.26 120.19 1k52 h ALA 37 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k52 h ALA 37 Cb 0.71 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1k52 h ALA 37 CO 0.05 0.55 0.42 -0.44 0.00 0.00 0.00 179.25 179.83 1k52 h ASP 38 N 1.24 0.83 0.80 0.00 3.32 -0.83 -1.75 116.42 120.02 1k52 h ASP 38 Ca 0.38 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 1k52 h ASP 38 Cb -0.03 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1k52 h ASP 38 CO -0.11 0.64 -0.04 0.71 -1.72 0.00 0.00 179.24 178.72 1k52 h THR 39 N 0.96 0.11 -0.00 0.35 1.35 -0.89 -2.76 112.91 112.03 1k52 h THR 39 Ca 0.25 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1k52 h THR 39 Cb -0.04 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1k52 h THR 39 CO -0.05 0.04 -0.53 0.18 -0.25 0.00 0.00 175.52 174.91 1k52 n LEU 40 N -3.17 0.67 -0.32 3.87 4.77 -0.68 -4.37 117.00 117.77 1k52 n LEU 40 Ca -0.00 -0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 1k52 n LEU 40 Cb 0.28 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1k52 n LEU 40 CO 0.27 0.16 1.15 0.50 -1.33 0.00 0.00 177.39 178.14 1k52 h LYS 41 N 0.22 1.22 -0.62 3.23 3.11 -1.28 -0.23 116.57 122.22 1k52 h LYS 41 Ca 0.00 -0.15 0.08 0.00 -2.81 0.00 0.00 60.65 57.77 1k52 h LYS 41 Cb 0.51 -0.23 -0.06 0.00 -1.00 0.00 0.00 32.23 31.44 1k52 h LYS 41 CO 0.00 0.90 0.29 -0.22 -2.81 0.00 0.00 179.45 177.61 1k52 h LYS 42 N 1.21 0.51 0.00 1.90 3.64 -1.78 0.11 116.57 122.16 1k52 h LYS 42 Ca 0.30 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.51 1k52 h LYS 42 Cb 0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1k52 h LYS 42 CO -0.05 0.33 -1.29 -0.44 -2.27 0.00 0.00 179.45 175.74 1k52 h ASP 43 N 0.52 0.00 -0.01 4.20 3.32 -1.83 -3.40 116.42 119.22 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 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1k52 h ASP 43 CO -0.25 0.51 -0.01 0.59 -1.72 0.00 0.00 179.24 178.36 1k52 n ASN 44 N -2.90 1.46 0.00 6.45 3.02 -0.11 -4.99 115.26 118.20 1k52 n ASN 44 Ca -0.08 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1k52 n ASN 44 Cb 0.80 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 0.39 0.03 3.74 7.41 0.00 0.36 -0.21 105.19 116.91 1k52 n GLY 45 Ca 0.04 -1.81 -0.36 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 -1.91 2.72 0.20 1.61 -1.05 -1.26 -4.35 118.70 114.66 1k52 s GLU 46 Ca 0.00 1.89 0.08 0.00 -0.15 0.00 0.00 54.97 56.79 1k52 s GLU 46 Cb 0.00 -1.89 -0.04 0.00 -0.44 0.00 0.00 34.13 31.76 1k52 s GLU 46 CO 0.00 -1.42 -0.02 1.67 0.95 0.00 0.00 175.26 176.44 1k52 s TRP 47 N -1.59 2.75 -0.03 4.83 1.48 -1.26 -1.00 118.94 124.12 1k52 s TRP 47 Ca 0.79 -0.18 0.02 0.00 -1.06 0.00 0.00 56.10 55.66 1k52 s TRP 47 Cb -0.32 -1.30 0.01 0.00 -1.16 0.00 0.00 33.47 30.70 1k52 s TRP 47 CO 0.37 0.55 -0.07 0.99 -4.06 0.00 0.00 176.95 174.73 1k52 s THR 48 N -1.91 0.62 -0.06 0.66 2.01 -0.45 -4.97 115.64 111.55 1k52 s THR 48 Ca 0.28 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1k52 s THR 48 Cb -0.08 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1k52 s THR 48 CO 0.18 0.22 -0.13 0.54 -0.69 0.00 0.00 174.62 174.74 1k52 s VAL 49 N 0.44 3.20 -0.18 3.82 0.11 -1.26 -0.89 120.40 125.64 1k52 s VAL 49 Ca -0.06 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1k52 s VAL 49 Cb -0.10 -2.27 0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1k52 s VAL 49 CO 0.00 0.59 -0.12 -1.81 -3.33 0.00 0.00 175.10 170.43 1k52 s ASP 50 N -0.72 3.16 0.16 3.54 1.01 -0.26 -4.98 116.67 118.58 1k52 s ASP 50 Ca 0.11 -0.75 -0.20 0.00 0.71 0.00 0.00 52.55 52.42 1k52 s ASP 50 Cb -0.11 -1.24 -0.08 0.00 1.01 0.00 0.00 42.92 42.50 1k52 s ASP 50 CO 0.01 -0.10 0.68 -0.69 0.21 0.00 0.00 175.17 175.28 1k52 s VAL 51 N 1.41 4.59 0.23 -1.27 1.01 -1.26 -1.41 120.40 123.70 1k52 s VAL 51 Ca 0.01 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 1k52 s VAL 51 Cb -0.15 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1k52 s VAL 51 CO -0.09 0.37 0.20 0.00 0.00 0.00 0.00 175.10 175.58 1k52 s ALA 52 N -1.32 1.18 -1.48 5.51 0.00 -0.11 -4.91 121.76 120.62 1k52 s ALA 52 Ca 0.37 -1.70 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1k52 s ALA 52 Cb -0.19 1.37 0.06 0.00 0.00 0.00 0.00 23.12 24.36 1k52 s ALA 52 CO 0.22 -0.63 0.74 -0.25 0.00 0.00 0.00 175.76 175.84 1k52 n ASP 53 N -0.57 -2.56 -1.11 0.00 8.00 -1.26 -1.49 116.55 117.56 1k52 n ASP 53 Ca 0.03 -0.89 -0.14 0.00 0.71 0.00 0.00 54.79 54.49 1k52 n ASP 53 Cb 0.65 -3.51 -0.06 0.00 -0.02 0.00 0.00 41.12 38.17 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 -1.69 1.48 0.00 0.44 0.00 -1.26 -2.24 105.19 101.92 1k52 n GLY 54 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.97 0.35 0.01 -0.02 0.00 -0.56 -4.85 105.19 99.16 1k52 n GLY 55 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.65 0.09 -4.48 1.61 4.02 -0.95 -4.72 117.16 111.07 1k52 n TYR 56 Ca 0.00 0.03 -0.26 0.00 -0.01 0.00 0.00 57.90 57.65 1k52 n TYR 56 Cb 0.00 -0.48 -0.17 0.00 -0.02 0.00 0.00 39.34 38.67 1k52 n TYR 56 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1k52 s THR 57 N -3.01 1.28 -0.25 -0.72 2.01 -0.88 -0.87 115.64 113.20 1k52 s THR 57 Ca 0.13 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1k52 s THR 57 Cb 0.18 -1.18 0.06 0.00 0.01 0.00 0.00 72.50 71.56 1k52 s THR 57 CO 0.58 0.39 -0.11 -0.76 -0.69 0.00 0.00 174.62 174.03 1k52 s LEU 58 N 0.89 3.20 -0.57 4.42 1.43 0.29 -0.94 118.68 127.40 1k52 s LEU 58 Ca -0.10 -1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 51.51 1k52 s LEU 58 Cb -0.15 -1.50 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1k52 s LEU 58 CO 0.01 -0.17 0.76 0.20 0.23 0.00 0.00 176.35 177.38 1k52 s ASN 59 N 1.15 6.22 -0.30 2.29 0.01 -0.50 -0.66 114.94 123.15 1k52 s ASN 59 Ca -0.07 -1.00 -0.08 0.00 -0.71 0.00 0.00 52.86 51.00 1k52 s ASN 59 Cb -0.19 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1k52 s ASN 59 CO -0.06 -1.12 0.11 -0.63 -1.51 0.00 0.00 177.10 173.89 1k52 s ILE 60 N 3.13 4.25 -0.14 0.60 1.01 -0.52 -1.10 121.20 128.43 1k52 s ILE 60 Ca 0.18 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 1k52 s ILE 60 Cb -0.19 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1k52 s ILE 60 CO 0.11 0.09 0.00 -0.75 0.00 0.00 0.00 174.94 174.39 1k52 s LYS 61 N 1.55 3.54 -0.17 2.79 2.36 -0.07 -0.56 119.74 129.18 1k52 s LYS 61 Ca 0.04 -0.43 -0.08 0.00 -2.55 0.00 0.00 55.97 52.94 1k52 s LYS 61 Cb -0.17 -2.96 -0.04 0.00 -1.05 0.00 0.00 37.83 33.61 1k52 s LYS 61 CO 0.04 0.40 0.09 -0.06 1.55 0.00 0.00 175.35 177.37 1k52 s PHE 62 N -0.04 3.35 -0.35 4.03 0.40 0.19 -1.34 117.98 124.21 1k52 s PHE 62 Ca 0.03 0.23 0.27 0.00 -0.60 0.00 0.00 56.93 56.86 1k52 s PHE 62 Cb -0.13 -2.07 1.01 0.00 0.51 0.00 0.00 43.02 42.34 1k52 s PHE 62 CO 0.02 0.30 1.79 0.00 0.70 0.00 0.00 175.22 178.03 1k52 h ALA 63 N 6.36 1.00 0.00 5.36 0.00 -1.16 -3.10 119.26 127.71 1k52 h ALA 63 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1k52 h ALA 63 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k52 h ALA 63 CO 0.70 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.36