#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkd s ILE 2 N 0.00 2.66 0.09 5.15 -1.09 -1.26 -1.06 121.20 125.68 1qkd s ILE 2 Ca 0.00 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1qkd s ILE 2 Cb 0.00 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 1qkd s ILE 2 CO 0.00 0.56 -0.12 0.00 -1.23 0.00 0.00 174.94 174.15 1qkd s PHE 4 N -1.98 2.80 -0.00 0.00 0.08 -1.26 -0.34 117.98 117.28 1qkd s PHE 4 Ca 0.03 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1qkd s PHE 4 Cb -0.06 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1qkd s PHE 4 CO 0.01 -1.33 0.73 0.27 -0.10 0.00 0.00 175.22 174.80 1qkd n ASN 5 N -1.55 0.01 -4.86 1.36 6.94 -0.19 -2.66 115.26 114.31 1qkd n ASN 5 Ca 0.10 -1.46 -0.31 0.00 -0.02 0.00 0.00 54.58 52.89 1qkd n ASN 5 Cb 0.52 -0.09 -0.02 0.00 -2.36 0.00 0.00 39.78 37.83 1qkd n ASN 5 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1qkd s HIS 6 N -0.01 3.51 0.02 -2.53 -3.43 -1.24 -4.56 115.29 107.06 1qkd s HIS 6 Ca 0.00 1.34 -0.17 0.00 -0.80 0.00 0.00 55.06 55.43 1qkd s HIS 6 Cb 0.00 -2.71 -0.06 0.00 -1.43 0.00 0.00 32.58 28.38 1qkd s HIS 6 CO 0.00 -0.43 0.48 -1.14 -2.00 0.00 0.00 174.74 171.64 1qkd s GLN 7 N -4.41 4.05 0.00 -0.38 0.74 -1.26 -3.91 119.66 114.49 1qkd s GLN 7 Ca 0.56 0.55 0.00 0.00 0.05 0.00 0.00 55.36 56.52 1qkd s GLN 7 Cb -0.10 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1qkd s GLN 7 CO 0.39 0.64 0.00 0.43 -0.55 0.00 0.00 175.29 176.20 1qkd n SER 8 N 1.88 0.00 -1.44 6.67 7.64 0.10 -0.79 113.62 127.68 1qkd n SER 8 Ca -0.12 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.84 1qkd n SER 8 Cb 0.52 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.03 1qkd n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1qkd n SER 9 N 1.66 4.25 -4.74 6.43 7.64 -1.26 -4.93 113.62 122.68 1qkd n SER 9 Ca 0.00 -2.40 -0.32 0.00 1.01 0.00 0.00 58.87 57.16 1qkd n SER 9 Cb 0.00 -0.54 0.09 0.00 -1.01 0.00 0.00 64.21 62.75 1qkd n SER 9 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qkd s GLN 10 N -1.83 2.13 0.36 1.43 -0.21 0.03 -4.90 119.66 116.66 1qkd s GLN 10 Ca 0.45 1.43 -0.27 0.00 0.02 0.00 0.00 55.36 56.99 1qkd s GLN 10 Cb 0.29 -1.86 -0.12 0.00 1.00 0.00 0.00 33.01 32.32 1qkd s GLN 10 CO 0.21 -1.78 1.13 -2.30 -2.12 0.00 0.00 175.29 170.43 1qkd n PRO 11 N -3.20 1.66 -1.75 2.91 -0.02 -1.26 -4.81 135.00 128.52 1qkd n PRO 11 Ca 0.11 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1qkd n PRO 11 Cb 0.52 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1qkd n PRO 11 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qkd n GLN 12 N 0.41 2.50 -3.90 -0.52 6.02 -1.26 -4.83 117.38 115.80 1qkd n GLN 12 Ca 0.08 0.88 -0.10 0.00 -0.01 0.00 0.00 57.00 57.84 1qkd n GLN 12 Cb 0.36 -2.57 -0.09 0.00 1.02 0.00 0.00 30.24 28.96 1qkd n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1qkd s THR 13 N -1.12 0.11 0.23 5.09 -4.23 -1.26 -5.01 115.64 109.46 1qkd s THR 13 Ca 0.54 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1qkd s THR 13 Cb -0.50 -0.73 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 1qkd s THR 13 CO 0.63 -0.51 0.05 0.42 -0.54 0.00 0.00 174.62 174.67 1qkd s THR 14 N -2.17 0.70 -0.02 3.99 -4.23 -1.26 -1.02 115.64 111.62 1qkd s THR 14 Ca -0.08 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 1qkd s THR 14 Cb -0.03 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1qkd s THR 14 CO -0.02 -0.18 0.12 -1.59 -0.54 0.00 0.00 174.62 172.41 1qkd s LYS 15 N -3.97 0.34 -0.23 3.99 -2.85 0.53 -4.79 119.74 112.76 1qkd s LYS 15 Ca 0.33 -0.17 -0.23 0.00 -1.00 0.00 0.00 55.97 54.89 1qkd s LYS 15 Cb 0.07 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1qkd s LYS 15 CO 0.10 -0.07 0.76 0.99 0.10 0.00 0.00 175.35 177.24 1qkd s THR 16 N -0.80 4.90 0.80 3.79 2.01 -1.26 -1.61 115.64 123.47 1qkd s THR 16 Ca -0.09 1.44 -0.12 0.00 0.31 0.00 0.00 61.69 63.23 1qkd s THR 16 Cb -0.05 -4.06 0.07 0.00 0.01 0.00 0.00 72.50 68.47 1qkd s THR 16 CO 0.01 -0.02 1.17 0.00 -0.69 0.00 0.00 174.62 175.09 1qkd s SER 18 N -4.52 5.04 0.41 0.00 0.01 -1.26 -4.66 113.70 108.72 1qkd s SER 18 Ca 0.62 2.16 -0.27 0.00 1.31 0.00 0.00 55.95 59.76 1qkd s SER 18 Cb -0.11 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1qkd s SER 18 CO 0.50 -1.68 1.47 -2.65 0.41 0.00 0.00 173.24 171.29 1qkd n PRO 19 N -2.17 2.51 0.00 12.44 -0.02 -1.26 -1.29 135.00 145.21 1qkd n PRO 19 Ca 0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1qkd n PRO 19 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1qkd n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkd n GLY 20 N 0.49 3.14 3.66 -1.23 0.00 -1.26 -5.01 105.19 104.98 1qkd n GLY 20 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1qkd n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qkd s GLU 21 N -0.40 4.19 0.00 1.61 2.56 -0.41 -4.90 118.70 121.36 1qkd s GLU 21 Ca 0.00 1.87 0.15 0.00 0.00 0.00 0.00 54.97 56.98 1qkd s GLU 21 Cb 0.00 -3.87 -0.00 0.00 2.00 0.00 0.00 34.13 32.26 1qkd s GLU 21 CO 0.00 -0.79 0.80 0.43 -0.56 0.00 0.00 175.26 175.14 1qkd n SER 22 N 6.90 1.53 -4.56 -1.70 7.64 -1.26 -4.25 113.62 117.92 1qkd n SER 22 Ca 0.15 -1.26 -0.24 0.00 1.01 0.00 0.00 58.87 58.53 1qkd n SER 22 Cb 0.44 0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 64.02 1qkd n SER 22 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1qkd s SER 23 N -1.77 4.12 0.23 6.43 0.01 -1.26 -4.30 113.70 117.16 1qkd s SER 23 Ca 0.12 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.70 1qkd s SER 23 Cb 0.12 -0.61 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 1qkd s SER 23 CO 0.37 0.04 -0.14 0.00 0.41 0.00 0.00 173.24 173.92 1qkd s TYR 25 N -2.89 0.81 -0.14 0.00 -0.85 0.26 -1.07 117.35 113.46 1qkd s TYR 25 Ca 0.25 -0.85 -0.01 0.00 -0.52 0.00 0.00 57.07 55.94 1qkd s TYR 25 Cb -0.01 -0.48 0.04 0.00 0.38 0.00 0.00 41.96 41.89 1qkd s TYR 25 CO 0.09 -0.16 -0.04 1.21 -1.52 0.00 0.00 175.55 175.14 1qkd s ASN 26 N -2.74 2.44 -0.20 -0.18 3.84 0.01 -2.47 114.94 115.64 1qkd s ASN 26 Ca 0.07 -0.48 -0.02 0.00 0.21 0.00 0.00 52.86 52.63 1qkd s ASN 26 Cb 0.03 -0.76 -0.00 0.00 -0.55 0.00 0.00 41.25 39.96 1qkd s ASN 26 CO -0.04 -0.19 -0.09 -0.75 -2.79 0.00 0.00 177.10 173.24 1qkd s LYS 27 N 1.75 3.26 -0.02 0.43 2.20 0.38 -0.81 119.74 126.93 1qkd s LYS 27 Ca 0.02 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 1qkd s LYS 27 Cb -0.14 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1qkd s LYS 27 CO -0.07 -0.17 -0.17 -1.14 -0.36 0.00 0.00 175.35 173.43 1qkd s GLN 28 N 1.34 1.48 0.30 4.03 0.74 0.14 -0.71 119.66 126.98 1qkd s GLN 28 Ca 0.04 -0.62 -0.16 0.00 0.05 0.00 0.00 55.36 54.67 1qkd s GLN 28 Cb -0.14 -1.40 0.02 0.00 1.10 0.00 0.00 33.01 32.59 1qkd s GLN 28 CO -0.05 0.35 0.65 1.67 -0.55 0.00 0.00 175.29 177.36 1qkd s TRP 29 N -0.33 0.11 -0.08 1.67 -2.14 -0.73 -0.54 118.94 116.91 1qkd s TRP 29 Ca 0.05 -0.57 0.03 0.00 2.66 0.00 0.00 56.10 58.27 1qkd s TRP 29 Cb -0.08 0.54 0.00 0.00 -3.10 0.00 0.00 33.47 30.83 1qkd s TRP 29 CO -0.00 -1.23 -0.19 0.45 -2.66 0.00 0.00 176.95 173.32 1qkd s SER 30 N -3.00 2.46 0.00 -2.66 0.15 -1.26 0.24 113.70 109.62 1qkd s SER 30 Ca 0.16 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1qkd s SER 30 Cb -0.04 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1qkd s SER 30 CO 0.09 0.11 0.00 -0.90 1.20 0.00 0.00 173.24 173.75 1qkd n ASP 31 N 3.56 0.46 -0.01 5.45 5.75 -0.54 -4.84 116.55 126.37 1qkd n ASP 31 Ca -0.20 -0.06 0.22 0.00 -0.01 0.00 0.00 54.79 54.73 1qkd n ASP 31 Cb 0.52 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 41.32 1qkd n ASP 31 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1qkd h PHE 32 N 0.01 0.00 -0.58 2.11 3.57 -2.03 -0.88 116.94 119.15 1qkd h PHE 32 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1qkd h PHE 32 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1qkd h PHE 32 CO 0.00 0.00 0.00 2.89 -2.23 0.00 0.00 178.31 178.97 1qkd n ARG 33 N -4.24 2.78 0.00 1.11 1.85 -1.26 -5.05 116.66 111.85 1qkd n ARG 33 Ca 0.11 -2.27 0.00 0.00 -1.00 0.00 0.00 57.85 54.69 1qkd n ARG 33 Cb 0.66 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 1qkd n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qkd n GLY 34 N 1.27 -1.73 3.67 2.89 0.00 -0.34 -4.99 105.19 105.96 1qkd n GLY 34 Ca 0.21 -2.02 -0.46 0.00 0.00 0.00 0.00 46.02 43.75 1qkd n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qkd n THR 35 N 0.00 0.02 -4.84 2.61 -1.04 -1.26 -1.47 114.28 108.30 1qkd n THR 35 Ca 0.00 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1qkd n THR 35 Cb 0.00 -1.51 -0.16 0.00 -1.82 0.00 0.00 70.33 66.84 1qkd n THR 35 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qkd s ILE 36 N 0.99 1.41 -0.10 12.58 1.01 0.14 -4.93 121.20 132.30 1qkd s ILE 36 Ca 0.79 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1qkd s ILE 36 Cb -0.69 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1qkd s ILE 36 CO 0.39 0.40 -0.17 -0.63 0.00 0.00 0.00 174.94 174.93 1qkd s ILE 37 N -0.18 1.55 0.02 2.92 1.01 -1.26 -1.77 121.20 123.48 1qkd s ILE 37 Ca 0.01 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.03 1qkd s ILE 37 Cb -0.09 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1qkd s ILE 37 CO 0.01 0.45 -0.19 -0.70 0.00 0.00 0.00 174.94 174.51 1qkd s GLU 38 N 0.74 2.13 0.03 2.79 2.12 0.12 0.03 118.70 126.65 1qkd s GLU 38 Ca -0.12 -0.93 -0.01 0.00 0.36 0.00 0.00 54.97 54.27 1qkd s GLU 38 Cb -0.16 -2.19 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 1qkd s GLU 38 CO 0.02 0.56 -0.02 1.03 -0.54 0.00 0.00 175.26 176.31 1qkd s ARG 39 N -1.20 0.40 0.00 4.30 0.52 -1.25 -0.47 118.95 121.25 1qkd s ARG 39 Ca 0.13 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1qkd s ARG 39 Cb -0.10 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.51 1qkd s ARG 39 CO 0.03 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.69 1qkd n GLY 40 N 1.20 -0.96 3.86 -3.53 0.00 -1.03 -4.31 105.19 100.42 1qkd n GLY 40 Ca -0.21 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1qkd n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkd n GLY 42 N -0.07 -1.46 2.62 0.00 0.00 0.84 -4.74 105.19 102.38 1qkd n GLY 42 Ca 0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 1qkd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkd s PRO 44 N 0.63 2.80 0.32 0.00 0.04 -1.26 -5.00 135.00 132.53 1qkd s PRO 44 Ca 0.29 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 1qkd s PRO 44 Cb -0.00 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1qkd s PRO 44 CO -0.11 -1.21 1.18 0.99 0.04 0.00 0.00 177.00 177.89 1qkd s THR 45 N -2.87 3.16 0.10 1.26 2.01 -1.26 -5.02 115.64 113.02 1qkd s THR 45 Ca 0.60 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.78 1qkd s THR 45 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1qkd s THR 45 CO 0.52 0.25 -0.10 0.54 -0.69 0.00 0.00 174.62 175.14 1qkd s VAL 46 N -1.20 0.93 0.68 3.82 0.11 -1.26 -5.14 120.40 118.34 1qkd s VAL 46 Ca 0.48 -1.72 -0.13 0.00 -2.93 0.00 0.00 61.98 57.68 1qkd s VAL 46 Cb -0.34 -1.45 0.01 0.00 -1.53 0.00 0.00 36.38 33.07 1qkd s VAL 46 CO 0.45 -0.62 1.08 -0.75 -3.33 0.00 0.00 175.10 171.93 1qkd s LYS 47 N -3.02 2.83 0.29 1.54 2.20 -1.26 -4.95 119.74 117.37 1qkd s LYS 47 Ca 0.07 1.18 -0.29 0.00 -0.36 0.00 0.00 55.97 56.57 1qkd s LYS 47 Cb -0.01 -1.97 -0.10 0.00 -1.51 0.00 0.00 37.83 34.24 1qkd s LYS 47 CO -0.01 -1.20 1.38 -2.14 -0.36 0.00 0.00 175.35 173.02 1qkd s PRO 48 N -4.53 4.30 0.00 4.03 0.02 -1.26 -1.65 135.00 135.91 1qkd s PRO 48 Ca 0.62 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1qkd s PRO 48 Cb -0.17 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1qkd s PRO 48 CO 0.47 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 1qkd n GLY 49 N 1.46 0.95 3.74 0.52 0.00 -1.26 -5.04 105.19 105.56 1qkd n GLY 49 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1qkd n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qkd s ILE 50 N -2.25 5.35 -0.28 -0.61 -1.09 -0.66 -4.82 121.20 116.85 1qkd s ILE 50 Ca 0.00 0.39 -0.23 0.00 -2.23 0.00 0.00 60.65 58.57 1qkd s ILE 50 Cb 0.00 -3.55 -0.00 0.00 -1.58 0.00 0.00 42.46 37.32 1qkd s ILE 50 CO 0.00 0.42 0.78 -0.54 -1.23 0.00 0.00 174.94 174.37 1qkd s LYS 51 N 0.33 4.05 -0.08 2.79 1.02 0.30 -4.85 119.74 123.30 1qkd s LYS 51 Ca 0.13 0.69 0.04 0.00 0.02 0.00 0.00 55.97 56.85 1qkd s LYS 51 Cb -0.12 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1qkd s LYS 51 CO 0.02 -0.60 -0.22 -1.17 -0.92 0.00 0.00 175.35 172.46 1qkd s LEU 52 N 2.86 2.22 -0.03 3.17 2.96 -1.26 0.23 118.68 128.84 1qkd s LEU 52 Ca 0.32 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1qkd s LEU 52 Cb -0.15 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1qkd s LEU 52 CO 0.10 0.21 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.63 1qkd s SER 53 N 0.07 1.97 -0.06 3.68 0.15 0.01 -5.00 113.70 114.51 1qkd s SER 53 Ca -0.09 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.27 1qkd s SER 53 Cb -0.15 -0.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.76 1qkd s SER 53 CO 0.06 0.17 -0.15 0.00 1.20 0.00 0.00 173.24 174.51 1qkd n GLU 56 N 0.17 3.30 -3.70 0.00 1.02 -1.26 -1.13 120.64 119.03 1qkd n GLU 56 Ca -0.12 -4.83 -0.10 0.00 -0.02 0.00 0.00 57.16 52.09 1qkd n GLU 56 Cb 0.58 -2.24 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 1qkd n GLU 56 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qkd s SER 57 N -3.46 -0.30 0.19 1.62 1.04 -1.26 -4.99 113.70 106.54 1qkd s SER 57 Ca 0.49 -0.41 -0.33 0.00 0.48 0.00 0.00 55.95 56.18 1qkd s SER 57 Cb 0.29 0.58 -0.14 0.00 0.10 0.00 0.00 66.02 66.85 1qkd s SER 57 CO -0.15 -1.04 1.44 -0.62 0.98 0.00 0.00 173.24 173.86 1qkd n GLU 58 N -0.34 1.91 -4.01 4.02 -0.58 -1.26 -2.54 120.64 117.84 1qkd n GLU 58 Ca -0.11 0.69 -0.28 0.00 -0.42 0.00 0.00 57.16 57.04 1qkd n GLU 58 Cb 0.63 -2.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.05 1qkd n GLU 58 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1qkd n VAL 59 N 2.48 -0.65 0.98 2.62 0.24 0.84 -4.80 118.33 120.04 1qkd n VAL 59 Ca 0.14 -0.32 0.13 0.00 -2.04 0.00 0.00 64.34 62.25 1qkd n VAL 59 Cb 0.29 -0.74 0.48 0.00 -1.47 0.00 0.00 33.84 32.40 1qkd n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qkd n ASN 61 N -1.54 5.25 0.00 0.00 6.94 -1.26 -4.96 115.26 119.69 1qkd n ASN 61 Ca 0.06 -3.42 0.00 0.00 -0.02 0.00 0.00 54.58 51.20 1qkd n ASN 61 Cb 0.34 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1qkd n ASN 61 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77