#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkw s GLU 7 N 0.00 0.32 -0.01 1.64 2.02 -1.26 -4.82 118.70 116.59 1qkw s GLU 7 Ca 0.00 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.52 1qkw s GLU 7 Cb 0.00 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.39 1qkw s GLU 7 CO 0.00 -2.61 -0.25 -0.51 0.02 0.00 0.00 175.26 171.91 1qkw s LEU 8 N -5.96 2.07 0.17 1.80 1.43 -1.26 -0.84 118.68 116.08 1qkw s LEU 8 Ca 0.77 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.48 1qkw s LEU 8 Cb -0.02 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1qkw s LEU 8 CO 0.54 0.30 -0.18 0.68 0.23 0.00 0.00 176.35 177.92 1qkw s VAL 9 N -0.62 1.83 -0.20 -1.59 -7.23 0.72 -2.14 120.40 111.16 1qkw s VAL 9 Ca 0.10 -1.95 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1qkw s VAL 9 Cb -0.10 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1qkw s VAL 9 CO -0.01 -0.33 0.08 -0.22 -0.31 0.00 0.00 175.10 174.31 1qkw s LEU 10 N -2.73 3.80 -0.25 1.32 2.96 0.71 -0.53 118.68 123.96 1qkw s LEU 10 Ca 0.16 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 1qkw s LEU 10 Cb -0.05 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1qkw s LEU 10 CO 0.07 0.13 1.47 0.00 -1.32 0.00 0.00 176.35 176.70 1qkw s ALA 11 N 0.63 3.33 0.09 5.97 0.00 0.28 -1.58 121.76 130.48 1qkw s ALA 11 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.38 1qkw s ALA 11 Cb -0.13 -3.81 -0.22 0.00 0.00 0.00 0.00 23.12 18.96 1qkw s ALA 11 CO 0.01 -1.84 1.15 -0.07 0.00 0.00 0.00 175.76 175.02 1qkw h LEU 12 N 11.25 0.05 -8.67 0.00 3.38 -1.08 0.75 115.31 120.98 1qkw h LEU 12 Ca -0.30 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.32 1qkw h LEU 12 Cb 1.13 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 1qkw h LEU 12 CO 1.01 1.04 -0.67 -0.31 0.09 0.00 0.00 178.44 179.61 1qkw s TYR 13 N -2.68 1.23 0.43 1.13 2.02 -1.23 -4.76 117.35 113.50 1qkw s TYR 13 Ca -0.01 -0.98 -0.22 0.00 -0.37 0.00 0.00 57.07 55.50 1qkw s TYR 13 Cb 0.09 -0.70 -0.10 0.00 -0.40 0.00 0.00 41.96 40.85 1qkw s TYR 13 CO 0.83 -0.17 0.99 -0.51 -1.57 0.00 0.00 175.55 175.12 1qkw s ASP 14 N -3.18 6.77 -0.23 2.29 1.01 -1.26 -3.52 116.67 118.54 1qkw s ASP 14 Ca 0.23 1.82 -0.04 0.00 0.71 0.00 0.00 52.55 55.27 1qkw s ASP 14 Cb 0.06 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.56 1qkw s ASP 14 CO 0.04 -0.48 0.40 -0.47 0.21 0.00 0.00 175.17 174.86 1qkw s TYR 15 N -2.01 -0.85 -0.08 4.23 5.04 -0.04 -4.90 117.35 118.74 1qkw s TYR 15 Ca 0.62 1.03 -0.17 0.00 -2.44 0.00 0.00 57.07 56.12 1qkw s TYR 15 Cb -0.14 0.11 -0.05 0.00 0.35 0.00 0.00 41.96 42.24 1qkw s TYR 15 CO 0.18 -0.67 0.43 -0.65 -1.34 0.00 0.00 175.55 173.50 1qkw s GLN 16 N 2.57 4.20 0.63 4.97 1.11 -1.26 -0.45 119.66 131.43 1qkw s GLN 16 Ca 0.10 0.40 -0.18 0.00 0.01 0.00 0.00 55.36 55.68 1qkw s GLN 16 Cb -0.15 -3.36 -0.03 0.00 -1.01 0.00 0.00 33.01 28.46 1qkw s GLN 16 CO -0.15 0.34 1.07 -0.85 0.01 0.00 0.00 175.29 175.71 1qkw n GLU 17 N 3.05 0.92 0.00 2.91 0.28 -1.26 -4.92 120.64 121.62 1qkw n GLU 17 Ca -0.10 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1qkw n GLU 17 Cb 0.52 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 31.09 1qkw n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1qkw n LYS 18 N -1.41 0.88 -4.12 3.44 5.02 -1.26 -5.00 118.16 115.70 1qkw n LYS 18 Ca 0.15 -0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.26 1qkw n LYS 18 Cb 0.48 -0.44 -0.10 0.00 -0.02 0.00 0.00 35.03 34.95 1qkw n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qkw s SER 19 N -0.15 0.48 0.56 4.39 1.04 -1.26 -5.05 113.70 113.71 1qkw s SER 19 Ca 0.00 -1.08 0.25 0.00 0.48 0.00 0.00 55.95 55.60 1qkw s SER 19 Cb 0.00 0.23 1.57 0.00 0.10 0.00 0.00 66.02 67.92 1qkw s SER 19 CO 0.00 -0.64 2.16 -0.65 0.98 0.00 0.00 173.24 175.09 1qkw h PRO 20 N 3.03 0.00 -0.01 4.02 0.11 -2.03 -1.50 132.00 135.63 1qkw h PRO 20 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1qkw h PRO 20 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qkw h PRO 20 CO 0.63 0.00 -0.24 0.54 -0.21 0.00 0.00 178.00 178.72 1qkw n ARG 21 N -4.11 0.85 -2.53 1.05 5.12 -1.26 -4.94 116.66 110.84 1qkw n ARG 21 Ca -0.01 -0.49 -0.25 0.00 -1.93 0.00 0.00 57.85 55.17 1qkw n ARG 21 Cb 0.19 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 30.03 1qkw n ARG 21 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1qkw s GLU 22 N -2.49 2.89 0.01 5.56 2.02 -0.57 -0.92 118.70 125.21 1qkw s GLU 22 Ca 0.25 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.08 1qkw s GLU 22 Cb 0.19 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 1qkw s GLU 22 CO 0.51 -0.63 -0.05 0.54 0.02 0.00 0.00 175.26 175.65 1qkw s VAL 23 N -2.89 0.37 0.22 2.63 0.11 -1.00 -4.60 120.40 115.25 1qkw s VAL 23 Ca 0.53 -0.50 -0.20 0.00 -2.93 0.00 0.00 61.98 58.88 1qkw s VAL 23 Cb -0.10 -0.37 -0.08 0.00 -1.53 0.00 0.00 36.38 34.29 1qkw s VAL 23 CO 0.43 -0.10 0.74 -0.89 -3.33 0.00 0.00 175.10 171.96 1qkw s THR 24 N -0.58 4.53 0.11 5.04 2.01 -1.26 -4.21 115.64 121.29 1qkw s THR 24 Ca -0.03 1.34 -0.05 0.00 0.31 0.00 0.00 61.69 63.26 1qkw s THR 24 Cb -0.05 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1qkw s THR 24 CO -0.00 0.22 0.13 0.00 -0.69 0.00 0.00 174.62 174.28 1qkw s MET 25 N -1.93 0.91 -0.03 4.92 0.23 0.40 -4.91 119.30 118.89 1qkw s MET 25 Ca 0.43 -1.23 0.04 0.00 -1.03 0.00 0.00 55.69 53.91 1qkw s MET 25 Cb -0.17 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.41 1qkw s MET 25 CO 0.21 -0.27 -0.16 0.21 -2.03 0.00 0.00 175.02 172.98 1qkw s LYS 26 N -3.96 1.51 0.10 3.16 2.20 -1.26 -0.86 119.74 120.63 1qkw s LYS 26 Ca 0.15 -0.56 -0.36 0.00 -0.36 0.00 0.00 55.97 54.84 1qkw s LYS 26 Cb 0.06 -1.37 -0.17 0.00 -1.51 0.00 0.00 37.83 34.84 1qkw s LYS 26 CO -0.04 0.27 1.16 1.17 -0.36 0.00 0.00 175.35 177.55 1qkw n LYS 27 N 2.99 0.79 0.00 4.03 4.81 -1.23 -1.06 118.16 128.49 1qkw n LYS 27 Ca -0.17 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1qkw n LYS 27 Cb 0.54 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1qkw n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qkw n GLY 28 N 2.07 3.03 3.70 3.14 0.00 0.26 -4.97 105.19 112.42 1qkw n GLY 28 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1qkw n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qkw n ASP 29 N 0.00 1.79 -4.20 1.61 9.92 -0.23 -4.71 116.55 120.73 1qkw n ASP 29 Ca 0.00 0.82 -0.35 0.00 -0.53 0.00 0.00 54.79 54.73 1qkw n ASP 29 Cb 0.00 -1.52 -0.14 0.00 -0.64 0.00 0.00 41.12 38.82 1qkw n ASP 29 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1qkw s ILE 30 N -1.41 2.94 0.20 0.53 -1.09 -1.26 -0.56 121.20 120.55 1qkw s ILE 30 Ca 0.82 -1.12 0.08 0.00 -2.23 0.00 0.00 60.65 58.20 1qkw s ILE 30 Cb -0.39 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 1qkw s ILE 30 CO 0.41 0.11 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.46 1qkw s LEU 31 N 1.31 3.23 -0.25 2.97 1.43 0.31 -4.73 118.68 122.94 1qkw s LEU 31 Ca -0.01 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 1qkw s LEU 31 Cb -0.18 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1qkw s LEU 31 CO -0.03 0.06 0.55 -0.89 0.23 0.00 0.00 176.35 176.27 1qkw s THR 32 N -1.91 5.04 -0.13 5.49 2.01 -0.84 -0.20 115.64 125.10 1qkw s THR 32 Ca 0.28 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 1qkw s THR 32 Cb -0.08 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1qkw s THR 32 CO 0.18 0.07 1.39 -0.22 -0.69 0.00 0.00 174.62 175.36 1qkw s LEU 33 N 2.33 4.22 -0.21 4.42 2.96 -0.02 -0.94 118.68 131.44 1qkw s LEU 33 Ca 0.23 1.87 0.07 0.00 -0.22 0.00 0.00 54.13 56.07 1qkw s LEU 33 Cb -0.16 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.82 1qkw s LEU 33 CO 0.09 -0.82 -0.11 0.18 -1.32 0.00 0.00 176.35 174.37 1qkw n LEU 34 N 6.81 1.93 -3.25 -0.68 4.77 0.83 -3.66 117.00 123.75 1qkw n LEU 34 Ca 0.15 -0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1qkw n LEU 34 Cb 0.44 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1qkw n LEU 34 CO 0.58 0.73 0.06 0.21 -1.33 0.00 0.00 177.39 177.64 1qkw s ASN 35 N -5.87 -0.60 -0.30 -1.43 3.84 -0.72 -4.96 114.94 104.89 1qkw s ASN 35 Ca -0.23 0.54 0.09 0.00 0.21 0.00 0.00 52.86 53.47 1qkw s ASN 35 Cb 0.07 1.66 0.54 0.00 -0.55 0.00 0.00 41.25 42.97 1qkw s ASN 35 CO 0.60 -0.28 1.54 -1.54 -2.79 0.00 0.00 177.10 174.63 1qkw n SER 36 N 5.40 2.89 0.16 -4.21 3.41 -1.26 -1.66 113.62 118.35 1qkw n SER 36 Ca -0.02 -3.65 0.01 0.00 -0.26 0.00 0.00 58.87 54.95 1qkw n SER 36 Cb 0.51 -0.66 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 1qkw n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1qkw h THR 37 N 1.14 1.31 -3.28 6.66 1.35 -1.96 -3.43 112.91 114.72 1qkw h THR 37 Ca 0.26 -1.48 -0.57 0.00 -0.55 0.00 0.00 66.41 64.06 1qkw h THR 37 Cb 1.84 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 69.98 1qkw h THR 37 CO 0.49 0.43 -0.07 0.21 -0.25 0.00 0.00 175.52 176.33 1qkw s ASN 38 N -6.91 6.88 0.44 5.36 3.84 -1.26 -4.99 114.94 118.31 1qkw s ASN 38 Ca -0.03 1.05 0.29 0.00 0.21 0.00 0.00 52.86 54.38 1qkw s ASN 38 Cb 0.14 -2.33 1.00 0.00 -0.55 0.00 0.00 41.25 39.51 1qkw s ASN 38 CO 0.74 0.10 1.83 0.07 -2.79 0.00 0.00 177.10 177.05 1qkw h LYS 39 N 5.81 0.00 0.00 0.43 2.10 -2.00 -3.36 116.57 119.56 1qkw h LYS 39 Ca -0.45 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 57.90 1qkw h LYS 39 Cb 1.20 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.47 1qkw h LYS 39 CO 0.70 0.00 -2.13 -0.25 -2.00 0.00 0.00 179.45 175.77 1qkw n ASP 40 N -2.87 2.00 -4.18 7.07 8.00 -1.26 -4.73 116.55 120.58 1qkw n ASP 40 Ca 0.02 -0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.17 1qkw n ASP 40 Cb 0.36 0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.36 1qkw n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1qkw s TRP 41 N -2.40 1.97 -0.09 1.24 0.52 -1.26 -1.02 118.94 117.91 1qkw s TRP 41 Ca -0.21 -0.57 0.04 0.00 0.02 0.00 0.00 56.10 55.38 1qkw s TRP 41 Cb 0.06 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 1qkw s TRP 41 CO 0.53 -0.18 -0.22 -1.58 0.02 0.00 0.00 176.95 175.52 1qkw s TRP 42 N -0.05 2.57 -0.12 -1.98 0.52 -0.35 -4.23 118.94 115.30 1qkw s TRP 42 Ca -0.03 -0.81 -0.28 0.00 0.02 0.00 0.00 56.10 55.00 1qkw s TRP 42 Cb -0.12 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1qkw s TRP 42 CO 0.03 -0.27 0.93 0.21 0.02 0.00 0.00 176.95 177.86 1qkw s LYS 43 N 0.09 4.39 0.31 4.98 2.20 -0.67 -1.89 119.74 129.15 1qkw s LYS 43 Ca -0.10 1.24 0.03 0.00 -0.36 0.00 0.00 55.97 56.78 1qkw s LYS 43 Cb -0.16 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 1qkw s LYS 43 CO 0.06 -0.28 0.10 0.14 -0.36 0.00 0.00 175.35 175.01 1qkw s VAL 44 N 1.93 0.73 -0.17 4.02 -7.23 0.12 -0.12 120.40 119.68 1qkw s VAL 44 Ca 0.45 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1qkw s VAL 44 Cb -0.18 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.16 1qkw s VAL 44 CO 0.17 0.00 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.10 1qkw s GLU 45 N -3.91 2.51 -0.30 4.82 2.12 -0.12 -2.15 118.70 121.67 1qkw s GLU 45 Ca 0.35 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.87 1qkw s GLU 45 Cb 0.07 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 32.10 1qkw s GLU 45 CO 0.15 -0.28 0.07 0.08 -0.54 0.00 0.00 175.26 174.75 1qkw s VAL 46 N 1.38 3.83 0.00 3.70 1.01 0.87 -1.99 120.40 129.20 1qkw s VAL 46 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1qkw s VAL 46 Cb -0.14 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1qkw s VAL 46 CO -0.11 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1qkw n GLY 47 N 4.84 1.18 0.27 4.51 0.00 -1.26 -1.52 105.19 113.20 1qkw n GLY 47 Ca -0.14 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1qkw n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qkw n ASP 48 N 11.04 2.22 -4.02 1.61 2.03 -1.26 -5.02 116.55 123.16 1qkw n ASP 48 Ca 0.00 -3.33 -0.13 0.00 0.52 0.00 0.00 54.79 51.85 1qkw n ASP 48 Cb 0.00 -0.47 -0.12 0.00 -0.72 0.00 0.00 41.12 39.81 1qkw n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qkw s ARG 49 N -2.99 0.44 0.49 -0.67 1.70 -0.58 -5.17 118.95 112.18 1qkw s ARG 49 Ca 0.34 -0.57 0.07 0.00 -0.47 0.00 0.00 55.73 55.10 1qkw s ARG 49 Cb 0.31 -0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1qkw s ARG 49 CO 0.00 0.04 0.47 -0.65 -1.08 0.00 0.00 175.30 174.08 1qkw s GLN 50 N -1.17 2.41 0.00 3.89 -0.21 -1.26 -0.09 119.66 123.23 1qkw s GLN 50 Ca -0.08 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.60 1qkw s GLN 50 Cb -0.08 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1qkw s GLN 50 CO 0.00 -0.46 0.00 0.41 -2.12 0.00 0.00 175.29 173.12 1qkw n GLY 51 N -1.76 0.38 3.90 3.09 0.00 -0.91 -4.59 105.19 105.30 1qkw n GLY 51 Ca 0.04 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1qkw n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qkw s PHE 52 N -1.19 3.56 0.03 1.61 0.40 -0.09 -0.70 117.98 121.60 1qkw s PHE 52 Ca 0.00 0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.72 1qkw s PHE 52 Cb 0.00 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1qkw s PHE 52 CO 0.00 0.65 -0.02 0.14 0.70 0.00 0.00 175.22 176.69 1qkw s VAL 53 N -1.30 0.16 -0.05 -0.44 -7.23 -0.79 -2.37 120.40 108.38 1qkw s VAL 53 Ca 0.26 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1qkw s VAL 53 Cb -0.13 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 1qkw s VAL 53 CO 0.17 -0.71 1.96 -2.84 -0.31 0.00 0.00 175.10 173.37 1qkw s PRO 54 N -2.57 3.90 0.39 4.82 0.02 -1.26 -1.21 135.00 139.09 1qkw s PRO 54 Ca -0.06 2.37 0.23 0.00 0.02 0.00 0.00 61.00 63.56 1qkw s PRO 54 Cb -0.02 -4.18 1.28 0.00 0.02 0.00 0.00 34.50 31.60 1qkw s PRO 54 CO -0.05 -1.22 1.64 0.00 -0.33 0.00 0.00 177.00 177.04 1qkw h ALA 55 N 11.48 2.37 0.00 -1.55 0.00 -1.36 0.27 119.26 130.47 1qkw h ALA 55 Ca -0.45 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qkw h ALA 55 Cb 1.23 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1qkw h ALA 55 CO 0.95 -0.99 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 1qkw h ALA 56 N 1.74 1.08 -0.05 0.00 0.00 -1.87 -2.93 119.26 117.24 1qkw h ALA 56 Ca 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1qkw h ALA 56 Cb 2.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1qkw h ALA 56 CO -0.52 0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.47 1qkw n TYR 57 N -3.28 0.05 -4.40 0.00 4.01 0.96 -4.92 117.16 109.58 1qkw n TYR 57 Ca -0.01 -0.02 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1qkw n TYR 57 Cb 0.25 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 1qkw n TYR 57 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1qkw s VAL 58 N -1.95 2.03 -0.04 -0.72 -7.23 -1.11 -0.43 120.40 110.95 1qkw s VAL 58 Ca 0.37 -2.28 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1qkw s VAL 58 Cb 0.20 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.97 1qkw s VAL 58 CO 0.32 -0.50 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.75 1qkw s LYS 59 N -3.60 1.25 0.18 4.82 2.20 -0.61 -4.91 119.74 119.07 1qkw s LYS 59 Ca 0.26 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.20 1qkw s LYS 59 Cb -0.02 -1.12 -0.08 0.00 -1.51 0.00 0.00 37.83 35.10 1qkw s LYS 59 CO 0.10 0.11 1.07 0.15 -0.36 0.00 0.00 175.35 176.42 1qkw s LYS 60 N 0.30 4.63 -0.21 4.03 1.02 -1.26 -0.21 119.74 128.04 1qkw s LYS 60 Ca -0.06 1.67 -0.16 0.00 0.02 0.00 0.00 55.97 57.44 1qkw s LYS 60 Cb -0.11 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.84 1qkw s LYS 60 CO 0.01 0.14 -0.34 1.28 -0.92 0.00 0.00 175.35 175.53 1qkw n LEU 61 N 2.26 1.89 0.00 3.17 4.77 -0.91 -4.92 117.00 123.26 1qkw n LEU 61 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1qkw n LEU 61 Cb 0.47 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1qkw n LEU 61 CO 0.53 0.06 0.00 -0.67 -1.33 0.00 0.00 177.39 175.98