#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5q s ASP 2 N 0.00 6.30 0.15 6.12 1.01 -1.26 -4.89 116.67 124.10 2k5q s ASP 2 Ca 0.00 -0.55 0.27 0.00 0.71 0.00 0.00 52.55 52.97 2k5q s ASP 2 Cb 0.00 -2.37 0.93 0.00 1.01 0.00 0.00 42.92 42.49 2k5q s ASP 2 CO 0.00 -1.07 1.81 0.18 0.21 0.00 0.00 175.17 176.30 2k5q n LEU 3 N 6.89 0.58 -0.21 1.23 4.77 -1.26 -4.00 117.00 125.00 2k5q n LEU 3 Ca -0.02 0.56 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 2k5q n LEU 3 Cb 0.47 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2k5q n LEU 3 CO 0.59 -0.15 0.84 0.78 -1.33 0.00 0.00 177.39 178.13 2k5q h ASN 4 N 0.00 -0.26 -0.51 -1.43 -0.26 -2.07 -1.70 115.58 109.35 2k5q h ASN 4 Ca 0.00 0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 2k5q h ASN 4 Cb 0.65 0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.18 2k5q h ASN 4 CO 0.00 -0.11 0.00 -2.11 -1.06 0.00 0.00 177.43 174.15 2k5q n ARG 5 N -5.27 3.13 -3.58 0.81 0.00 -1.26 -4.98 116.66 105.51 2k5q n ARG 5 Ca 0.10 -2.55 -0.25 0.00 -0.00 0.00 0.00 57.85 55.14 2k5q n ARG 5 Cb 0.37 -1.61 -0.02 0.00 -0.00 0.00 0.00 32.46 31.20 2k5q n ARG 5 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2k5q s MET 6 N -1.52 3.51 0.00 2.89 -1.94 -0.64 -5.00 119.30 116.60 2k5q s MET 6 Ca 0.40 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 2k5q s MET 6 Cb 0.24 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 34.32 2k5q s MET 6 CO 0.21 0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.93 2k5q n GLY 7 N -1.19 -1.26 2.93 -0.03 0.00 -1.26 -4.98 105.19 99.40 2k5q n GLY 7 Ca -0.05 0.75 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 2k5q n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5q s LYS 8 N 0.00 0.10 0.23 1.61 -2.85 -1.26 -4.60 119.74 112.97 2k5q s LYS 8 Ca 0.00 0.50 0.11 0.00 -1.00 0.00 0.00 55.97 55.58 2k5q s LYS 8 Cb 0.00 -0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.54 2k5q s LYS 8 CO 0.00 -0.22 -0.20 -0.51 0.10 0.00 0.00 175.35 174.51 2k5q s ASP 9 N 1.67 3.60 -0.45 0.03 1.01 -1.19 -4.94 116.67 116.40 2k5q s ASP 9 Ca -0.04 -0.90 -0.09 0.00 0.71 0.00 0.00 52.55 52.22 2k5q s ASP 9 Cb -0.12 -0.33 0.10 0.00 1.01 0.00 0.00 42.92 43.58 2k5q s ASP 9 CO -0.07 0.08 0.31 -1.83 0.21 0.00 0.00 175.17 173.88 2k5q s GLU 10 N -3.06 2.55 -0.22 8.23 -1.05 -1.26 -0.98 118.70 122.91 2k5q s GLU 10 Ca 0.25 -1.63 -0.17 0.00 -0.15 0.00 0.00 54.97 53.28 2k5q s GLU 10 Cb -0.07 -3.88 -0.03 0.00 -0.44 0.00 0.00 34.13 29.71 2k5q s GLU 10 CO 0.13 -1.09 0.45 0.71 0.95 0.00 0.00 175.26 176.40 2k5q s TYR 11 N 1.40 3.33 -0.60 4.83 2.02 -0.82 -4.86 117.35 122.64 2k5q s TYR 11 Ca 0.04 0.63 -0.28 0.00 -0.37 0.00 0.00 57.07 57.10 2k5q s TYR 11 Cb -0.25 -2.61 0.01 0.00 -0.40 0.00 0.00 41.96 38.72 2k5q s TYR 11 CO 0.01 -0.12 1.42 0.71 -1.57 0.00 0.00 175.55 175.99 2k5q s TYR 12 N 1.72 2.24 0.34 2.71 1.51 -1.25 -1.42 117.35 123.19 2k5q s TYR 12 Ca 0.20 0.39 0.07 0.00 -1.01 0.00 0.00 57.07 56.72 2k5q s TYR 12 Cb -0.15 -4.42 -0.01 0.00 -0.11 0.00 0.00 41.96 37.26 2k5q s TYR 12 CO 0.09 -2.01 0.41 0.14 -1.11 0.00 0.00 175.55 173.07 2k5q s VAL 13 N 6.22 3.76 -0.01 0.71 -7.23 -0.34 -3.69 120.40 119.82 2k5q s VAL 13 Ca 0.50 -1.14 0.06 0.00 -1.81 0.00 0.00 61.98 59.59 2k5q s VAL 13 Cb -0.10 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.53 2k5q s VAL 13 CO 0.23 -0.15 -0.19 -1.58 -0.31 0.00 0.00 175.10 173.10 2k5q s GLN 14 N -4.12 1.51 -0.57 4.82 -0.44 -1.25 -2.49 119.66 117.11 2k5q s GLN 14 Ca 0.44 -0.69 -0.26 0.00 -2.50 0.00 0.00 55.36 52.35 2k5q s GLN 14 Cb -0.08 -1.47 -0.03 0.00 -1.64 0.00 0.00 33.01 29.79 2k5q s GLN 14 CO 0.30 0.40 2.00 0.42 0.50 0.00 0.00 175.29 178.91 2k5q s ILE 15 N -0.46 3.27 -0.03 -2.34 -1.09 -1.26 -4.54 121.20 114.75 2k5q s ILE 15 Ca 0.07 0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.64 2k5q s ILE 15 Cb -0.07 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2k5q s ILE 15 CO -0.01 -0.65 -0.02 0.71 -1.23 0.00 0.00 174.94 173.74 2k5q h THR 16 N 7.10 0.00 -3.40 2.92 1.35 -1.98 -3.47 112.91 115.42 2k5q h THR 16 Ca -0.26 -0.23 -0.66 0.00 -0.55 0.00 0.00 66.41 64.71 2k5q h THR 16 Cb 1.19 0.00 -0.27 0.00 -1.73 0.00 0.00 68.15 67.34 2k5q h THR 16 CO 1.19 0.00 -0.77 0.68 -0.25 0.00 0.00 175.52 176.38 2k5q s VAL 17 N -1.20 3.02 0.15 6.82 -7.23 -1.26 -5.13 120.40 115.57 2k5q s VAL 17 Ca -0.02 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2k5q s VAL 17 Cb 0.00 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2k5q s VAL 17 CO 0.02 0.53 -0.11 1.51 -0.31 0.00 0.00 175.10 176.75 2k5q s ASP 18 N 0.22 1.87 0.00 4.85 -4.77 -1.26 -4.22 116.67 113.36 2k5q s ASP 18 Ca -0.09 -1.00 0.00 0.00 -3.30 0.00 0.00 52.55 48.16 2k5q s ASP 18 Cb -0.15 -0.02 0.00 0.00 -1.09 0.00 0.00 42.92 41.65 2k5q s ASP 18 CO 0.05 -0.31 0.00 0.61 0.70 0.00 0.00 175.17 176.23 2k5q n GLY 19 N -0.18 0.33 3.55 2.12 0.00 -1.26 -4.94 105.19 104.80 2k5q n GLY 19 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2k5q n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5q s LYS 20 N -0.76 2.72 -0.15 1.61 3.01 -1.25 -4.88 119.74 120.03 2k5q s LYS 20 Ca 0.00 0.52 -0.27 0.00 -1.01 0.00 0.00 55.97 55.21 2k5q s LYS 20 Cb 0.00 -4.35 -0.01 0.00 -1.01 0.00 0.00 37.83 32.45 2k5q s LYS 20 CO 0.00 -2.63 0.89 -1.21 0.51 0.00 0.00 175.35 172.91 2k5q s GLU 21 N 6.82 4.33 -1.24 1.68 2.02 -1.26 -0.53 118.70 130.53 2k5q s GLU 21 Ca 0.63 1.14 -0.19 0.00 0.02 0.00 0.00 54.97 56.56 2k5q s GLU 21 Cb -0.12 -3.57 0.04 0.00 0.10 0.00 0.00 34.13 30.58 2k5q s GLU 21 CO 0.20 -0.33 1.74 0.14 0.02 0.00 0.00 175.26 177.03 2k5q s VAL 22 N 2.14 3.99 -0.16 2.63 -7.23 -0.46 -4.84 120.40 116.46 2k5q s VAL 22 Ca 0.41 -1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2k5q s VAL 22 Cb -0.17 -5.06 -0.17 0.00 0.56 0.00 0.00 36.38 31.55 2k5q s VAL 22 CO 0.14 -1.83 2.63 1.41 -0.31 0.00 0.00 175.10 177.14 2k5q n HIS 23 N 9.55 0.24 0.24 2.82 8.25 -1.26 -4.41 115.22 130.65 2k5q n HIS 23 Ca 0.46 -1.23 0.10 0.00 -0.26 0.00 0.00 57.72 56.80 2k5q n HIS 23 Cb 0.47 -1.33 0.68 0.00 1.12 0.00 0.00 29.99 30.92 2k5q n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k5q h SER 24 N 4.20 0.00 -4.31 0.41 0.87 -1.88 -3.48 113.55 109.36 2k5q h SER 24 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2k5q h SER 24 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2k5q h SER 24 CO 0.49 0.00 -0.71 1.17 -0.53 0.00 0.00 176.83 177.26 2k5q n LYS 25 N -4.44 -2.35 -2.79 2.24 4.81 -1.26 -4.90 118.16 109.46 2k5q n LYS 25 Ca -0.02 2.04 -0.43 0.00 -0.87 0.00 0.00 58.31 59.03 2k5q n LYS 25 Cb 0.14 -3.72 -0.01 0.00 0.02 0.00 0.00 35.03 31.47 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5q s ALA 26 N -0.90 3.61 -0.62 3.14 0.00 -1.23 -4.96 121.76 120.80 2k5q s ALA 26 Ca -0.04 -3.07 -0.26 0.00 0.00 0.00 0.00 51.96 48.59 2k5q s ALA 26 Cb 0.00 -4.32 -0.11 0.00 0.00 0.00 0.00 23.12 18.69 2k5q s ALA 26 CO 0.49 -3.03 2.45 -0.25 0.00 0.00 0.00 175.76 175.42 2k5q n ASP 27 N 6.90 1.85 0.00 0.00 8.00 -1.26 -3.07 116.55 128.96 2k5q n ASP 27 Ca 0.39 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2k5q n ASP 27 Cb 0.45 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2k5q n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k5q n ASN 28 N 15.32 0.00 0.00 -2.24 2.85 -1.26 -5.00 115.26 124.93 2k5q n ASN 28 Ca 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 2k5q n ASN 28 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2k5q n ASN 28 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5q n GLY 29 N 0.00 2.20 3.54 8.20 0.00 -1.18 -5.09 105.19 112.87 2k5q n GLY 29 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2k5q n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k5q s GLN 30 N 0.00 3.37 -1.06 1.61 0.74 -1.24 -4.94 119.66 118.15 2k5q s GLN 30 Ca 0.00 -0.74 -0.12 0.00 0.05 0.00 0.00 55.36 54.55 2k5q s GLN 30 Cb 0.00 -4.72 0.22 0.00 1.10 0.00 0.00 33.01 29.62 2k5q s GLN 30 CO 0.00 -2.13 1.12 0.15 -0.55 0.00 0.00 175.29 173.89 2k5q s LYS 31 N 5.12 3.98 0.03 1.67 1.02 -1.26 -3.51 119.74 126.79 2k5q s LYS 31 Ca 0.38 -2.74 -0.00 0.00 0.02 0.00 0.00 55.97 53.64 2k5q s LYS 31 Cb -0.05 -4.70 -0.04 0.00 -0.52 0.00 0.00 37.83 32.52 2k5q s LYS 31 CO 0.03 -1.45 0.13 1.52 -0.92 0.00 0.00 175.35 174.66 2k5q s TYR 32 N 0.20 3.36 -0.27 3.18 1.13 -1.26 -5.09 117.35 118.61 2k5q s TYR 32 Ca 0.31 0.22 0.01 0.00 -1.41 0.00 0.00 57.07 56.20 2k5q s TYR 32 Cb -0.08 -1.73 0.08 0.00 -1.10 0.00 0.00 41.96 39.13 2k5q s TYR 32 CO -0.06 0.57 0.00 0.15 -2.51 0.00 0.00 175.55 173.70 2k5q s LYS 33 N -2.08 1.32 -0.17 -3.49 3.01 -1.26 -4.69 119.74 112.39 2k5q s LYS 33 Ca 0.28 -1.12 -0.11 0.00 -1.01 0.00 0.00 55.97 54.01 2k5q s LYS 33 Cb -0.12 -2.53 -0.05 0.00 -1.01 0.00 0.00 37.83 34.12 2k5q s LYS 33 CO 0.19 -0.75 0.18 -0.51 0.51 0.00 0.00 175.35 174.98 2k5q s ASP 34 N 1.39 6.32 -0.49 2.83 1.01 -1.26 -4.91 116.67 121.56 2k5q s ASP 34 Ca 0.01 0.37 -0.23 0.00 0.71 0.00 0.00 52.55 53.41 2k5q s ASP 34 Cb -0.18 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.66 2k5q s ASP 34 CO -0.11 0.20 0.82 -0.31 0.21 0.00 0.00 175.17 175.99 2k5q s TYR 35 N 0.10 2.93 -0.22 4.23 2.02 -1.06 -1.35 117.35 124.00 2k5q s TYR 35 Ca 0.12 0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 56.73 2k5q s TYR 35 Cb -0.12 -3.79 -0.04 0.00 -0.40 0.00 0.00 41.96 37.61 2k5q s TYR 35 CO 0.01 -1.11 0.30 -2.00 -1.57 0.00 0.00 175.55 171.18 2k5q s GLU 36 N 3.45 4.13 -0.21 -0.62 2.12 0.31 -0.13 118.70 127.76 2k5q s GLU 36 Ca 0.29 -0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.63 2k5q s GLU 36 Cb -0.13 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.75 2k5q s GLU 36 CO 0.21 0.00 -0.17 0.71 -0.54 0.00 0.00 175.26 175.47 2k5q s TYR 37 N 1.21 2.93 -0.23 5.30 1.51 0.09 -3.93 117.35 124.23 2k5q s TYR 37 Ca 0.14 -1.82 -0.03 0.00 -1.01 0.00 0.00 57.07 54.35 2k5q s TYR 37 Cb -0.14 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 2k5q s TYR 37 CO 0.06 -0.82 -0.05 0.21 -1.11 0.00 0.00 175.55 173.84 2k5q s LYS 38 N 1.24 3.23 0.23 -0.62 2.20 -1.26 -1.12 119.74 123.65 2k5q s LYS 38 Ca 0.01 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 54.87 2k5q s LYS 38 Cb -0.15 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2k5q s LYS 38 CO -0.10 -0.25 0.26 -0.48 -0.36 0.00 0.00 175.35 174.42 2k5q s LEU 39 N 1.44 0.96 -0.16 5.43 0.05 0.29 -4.30 118.68 122.38 2k5q s LEU 39 Ca 0.05 -1.30 -0.05 0.00 0.05 0.00 0.00 54.13 52.88 2k5q s LEU 39 Cb -0.15 0.85 -0.03 0.00 -2.05 0.00 0.00 46.19 44.81 2k5q s LEU 39 CO -0.04 -0.97 -0.01 -0.89 -0.55 0.00 0.00 176.35 173.89 2k5q s THR 40 N -3.98 4.15 -0.03 5.48 2.01 -1.26 -0.76 115.64 121.24 2k5q s THR 40 Ca 0.34 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2k5q s THR 40 Cb 0.04 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 2k5q s THR 40 CO 0.13 0.48 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.52 2k5q s GLY 41 N 0.37 1.44 -0.01 4.40 0.00 0.57 -3.91 107.32 110.19 2k5q s GLY 41 Ca -0.02 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.68 2k5q s GLY 41 CO 0.02 -0.87 -0.14 -0.11 0.00 0.00 0.00 173.10 172.00 2k5q s PHE 42 N -0.72 1.22 0.19 1.90 -0.12 -1.24 -0.96 117.98 118.25 2k5q s PHE 42 Ca 0.11 -0.24 -0.14 0.00 -0.05 0.00 0.00 56.93 56.62 2k5q s PHE 42 Cb -0.10 -0.78 0.01 0.00 -0.63 0.00 0.00 43.02 41.52 2k5q s PHE 42 CO 0.01 -0.02 0.42 0.34 -0.05 0.00 0.00 175.22 175.92 2k5q s ASP 43 N -0.39 -0.12 0.00 1.98 2.15 -1.25 -3.92 116.67 115.13 2k5q s ASP 43 Ca 0.05 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.35 2k5q s ASP 43 Cb -0.05 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 2k5q s ASP 43 CO -0.00 -1.00 0.00 1.17 -0.17 0.00 0.00 175.17 175.17 2k5q n LYS 44 N -0.29 0.00 0.00 4.34 4.81 -1.26 -1.11 118.16 124.65 2k5q n LYS 44 Ca -0.08 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.50 2k5q n LYS 44 Cb 0.63 0.00 0.58 0.00 0.02 0.00 0.00 35.03 36.25 2k5q n LYS 44 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k5q n ASP 45 N 1.65 0.51 0.00 3.14 8.00 -1.26 -4.46 116.55 124.14 2k5q n ASP 45 Ca 0.00 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.94 2k5q n ASP 45 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2k5q n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5q n GLY 46 N 1.30 0.43 3.78 0.44 0.00 -0.27 -4.94 105.19 105.92 2k5q n GLY 46 Ca 0.14 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2k5q n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5q s LYS 47 N -1.71 3.94 -0.48 1.61 1.02 -1.24 -4.76 119.74 118.12 2k5q s LYS 47 Ca 0.00 1.68 -0.18 0.00 0.02 0.00 0.00 55.97 57.49 2k5q s LYS 47 Cb 0.00 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2k5q s LYS 47 CO 0.00 -0.38 0.54 -1.21 -0.92 0.00 0.00 175.35 173.38 2k5q s GLU 48 N -2.59 3.09 -0.15 1.68 2.02 -1.26 -3.81 118.70 117.67 2k5q s GLU 48 Ca 0.61 -0.96 -0.08 0.00 0.02 0.00 0.00 54.97 54.55 2k5q s GLU 48 Cb -0.26 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.85 2k5q s GLU 48 CO 0.32 -1.10 0.14 0.21 0.02 0.00 0.00 175.26 174.86 2k5q s LYS 49 N 2.30 3.71 -0.11 1.61 2.47 -0.13 -4.95 119.74 124.65 2k5q s LYS 49 Ca 0.12 -0.15 -0.17 0.00 -1.56 0.00 0.00 55.97 54.22 2k5q s LYS 49 Cb -0.20 -3.27 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 2k5q s LYS 49 CO 0.11 0.61 0.42 -1.83 0.16 0.00 0.00 175.35 174.82 2k5q s GLU 50 N -0.54 4.26 0.05 4.03 4.04 -1.26 -0.32 118.70 128.96 2k5q s GLU 50 Ca 0.13 0.36 0.03 0.00 0.04 0.00 0.00 54.97 55.53 2k5q s GLU 50 Cb -0.12 -3.40 -0.03 0.00 0.02 0.00 0.00 34.13 30.61 2k5q s GLU 50 CO 0.02 0.26 -0.09 -0.51 -1.84 0.00 0.00 175.26 173.10 2k5q s LEU 51 N 0.32 2.27 -0.02 1.83 1.02 0.06 -4.97 118.68 119.20 2k5q s LEU 51 Ca 0.23 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.81 2k5q s LEU 51 Cb -0.15 -0.23 0.01 0.00 0.02 0.00 0.00 46.19 45.84 2k5q s LEU 51 CO 0.09 -0.19 -0.01 -1.83 0.02 0.00 0.00 176.35 174.44 2k5q s GLU 52 N -1.71 0.21 0.01 1.70 -1.05 -1.26 -0.55 118.70 116.04 2k5q s GLU 52 Ca -0.07 0.02 0.01 0.00 -0.15 0.00 0.00 54.97 54.77 2k5q s GLU 52 Cb -0.09 -0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.28 2k5q s GLU 52 CO 0.01 -0.05 -0.02 -0.59 0.95 0.00 0.00 175.26 175.55 2k5q s PHE 53 N 0.52 0.20 -0.42 4.83 -0.71 -0.27 -4.59 117.98 117.54 2k5q s PHE 53 Ca -0.05 -0.17 -0.15 0.00 -1.04 0.00 0.00 56.93 55.52 2k5q s PHE 53 Cb -0.08 -0.13 0.03 0.00 -1.21 0.00 0.00 43.02 41.63 2k5q s PHE 53 CO -0.01 -0.05 0.33 0.95 -1.34 0.00 0.00 175.22 175.10 2k5q s THR 54 N -0.44 5.23 0.11 -4.49 -4.23 -1.26 -0.73 115.64 109.83 2k5q s THR 54 Ca -0.04 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 59.78 2k5q s THR 54 Cb -0.03 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 2k5q s THR 54 CO -0.00 -0.36 0.30 0.00 -0.54 0.00 0.00 174.62 174.02 2k5q s ALA 55 N 1.74 3.89 -0.23 3.99 0.00 0.82 -4.86 121.76 127.11 2k5q s ALA 55 Ca 0.06 -0.71 0.28 0.00 0.00 0.00 0.00 51.96 51.59 2k5q s ALA 55 Cb -0.19 -1.98 0.93 0.00 0.00 0.00 0.00 23.12 21.87 2k5q s ALA 55 CO 0.10 0.73 1.81 0.37 0.00 0.00 0.00 175.76 178.76 2k5q h GLN 56 N 2.87 0.00 -5.27 0.00 4.15 -1.95 -2.81 115.11 112.10 2k5q h GLN 56 Ca -0.46 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.58 2k5q h GLN 56 Cb 1.16 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.71 2k5q h GLN 56 CO 0.74 0.00 -0.72 0.15 -1.93 0.00 0.00 178.83 177.07 2k5q s LYS 57 N -3.42 1.20 -0.67 1.69 1.02 -1.26 -4.91 119.74 113.39 2k5q s LYS 57 Ca 0.04 -1.53 -0.25 0.00 0.02 0.00 0.00 55.97 54.25 2k5q s LYS 57 Cb 0.08 -0.83 0.04 0.00 -0.52 0.00 0.00 37.83 36.61 2k5q s LYS 57 CO 0.57 0.10 1.12 -0.80 -0.92 0.00 0.00 175.35 175.42 2k5q s ASN 58 N -3.24 6.23 1.11 2.83 0.02 -1.26 -4.92 114.94 115.70 2k5q s ASN 58 Ca 0.20 -0.53 -0.10 0.00 -1.02 0.00 0.00 52.86 51.40 2k5q s ASN 58 Cb 0.02 -2.50 0.15 0.00 0.02 0.00 0.00 41.25 38.94 2k5q s ASN 58 CO 0.04 -1.58 0.57 0.00 0.02 0.00 0.00 177.10 176.16 2k5q n LEU 59 N 8.44 0.00 -4.86 0.60 -0.00 -1.26 -5.05 117.00 114.87 2k5q n LEU 59 Ca 0.01 -0.61 -0.34 0.00 -0.00 0.00 0.00 56.01 55.07 2k5q n LEU 59 Cb 0.48 -0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 43.32 2k5q n LEU 59 CO 0.68 -1.53 -0.19 -0.13 -0.00 0.00 0.00 177.39 176.22 2k5q s ARG 60 N -4.30 3.33 0.77 1.47 0.52 -1.26 -5.04 118.95 114.44 2k5q s ARG 60 Ca 0.37 -0.31 -0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2k5q s ARG 60 Cb -0.03 -3.05 0.15 0.00 0.52 0.00 0.00 34.95 32.54 2k5q s ARG 60 CO 0.28 0.70 1.06 -1.59 0.02 0.00 0.00 175.30 175.77 2k5q s LYS 61 N -1.60 1.40 -1.30 3.54 -2.85 -1.26 -4.35 119.74 113.33 2k5q s LYS 61 Ca 0.22 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 2k5q s LYS 61 Cb -0.12 -2.26 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 2k5q s LYS 61 CO 0.13 -1.67 0.00 0.39 0.10 0.00 0.00 175.35 174.29 2k5q n GLU 62 N -3.00 -1.09 -4.33 1.78 -0.58 -1.26 -4.98 120.64 107.17 2k5q n GLU 62 Ca 0.16 0.90 -0.18 0.00 -0.42 0.00 0.00 57.16 57.63 2k5q n GLU 62 Cb 0.61 -5.02 -0.10 0.00 -0.57 0.00 0.00 31.44 26.36 2k5q n GLU 62 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5q s ALA 63 N -2.33 1.87 0.12 0.62 0.00 -1.26 -4.69 121.76 116.09 2k5q s ALA 63 Ca 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.26 2k5q s ALA 63 Cb 0.00 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 2k5q s ALA 63 CO 0.00 -0.49 -0.19 -0.06 0.00 0.00 0.00 175.76 175.02 2k5q s PHE 64 N -3.67 1.73 0.03 0.00 0.40 -1.12 -4.08 117.98 111.27 2k5q s PHE 64 Ca 0.36 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 2k5q s PHE 64 Cb 0.06 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 2k5q s PHE 64 CO 0.16 0.23 -0.17 -0.51 0.70 0.00 0.00 175.22 175.63 2k5q s LEU 65 N -2.14 2.14 -0.75 -0.37 1.02 -1.04 -0.36 118.68 117.18 2k5q s LEU 65 Ca 0.09 -0.44 -0.23 0.00 0.02 0.00 0.00 54.13 53.57 2k5q s LEU 65 Cb -0.08 -0.77 0.07 0.00 0.02 0.00 0.00 46.19 45.43 2k5q s LEU 65 CO 0.05 0.11 1.08 -0.13 0.02 0.00 0.00 176.35 177.48 2k5q s ARG 66 N -0.96 3.24 -0.07 1.70 0.52 -0.06 -1.19 118.95 122.13 2k5q s ARG 66 Ca 0.04 -0.91 -0.22 0.00 -0.52 0.00 0.00 55.73 54.13 2k5q s ARG 66 Cb -0.08 -4.43 -0.04 0.00 0.52 0.00 0.00 34.95 30.93 2k5q s ARG 66 CO 0.01 -1.90 0.63 0.08 0.02 0.00 0.00 175.30 174.14 2k5q s VAL 67 N 4.20 5.05 -0.56 3.52 1.01 -0.51 -1.86 120.40 131.25 2k5q s VAL 67 Ca 0.28 1.31 -0.27 0.00 0.00 0.00 0.00 61.98 63.29 2k5q s VAL 67 Cb -0.12 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2k5q s VAL 67 CO 0.06 0.30 1.13 -0.47 0.00 0.00 0.00 175.10 176.12 2k5q s TYR 68 N 0.59 2.67 -0.53 5.22 6.14 0.08 -1.95 117.35 129.56 2k5q s TYR 68 Ca 0.34 0.38 -0.28 0.00 0.64 0.00 0.00 57.07 58.15 2k5q s TYR 68 Cb -0.17 -4.41 0.00 0.00 0.42 0.00 0.00 41.96 37.80 2k5q s TYR 68 CO 0.16 -1.49 1.53 -1.58 0.64 0.00 0.00 175.55 174.81 2k5q s HIS 69 N 4.68 2.13 -0.30 4.97 5.65 -0.15 -2.58 115.29 129.69 2k5q s HIS 69 Ca 0.41 0.55 -0.01 0.00 0.25 0.00 0.00 55.06 56.25 2k5q s HIS 69 Cb -0.08 -4.31 0.10 0.00 -1.18 0.00 0.00 32.58 27.10 2k5q s HIS 69 CO 0.25 -2.15 0.09 -1.54 -0.65 0.00 0.00 174.74 170.75 2k5q s SER 70 N 5.18 3.91 0.00 9.88 1.04 -0.86 -3.18 113.70 129.67 2k5q s SER 70 Ca 0.58 -1.55 0.08 0.00 0.48 0.00 0.00 55.95 55.55 2k5q s SER 70 Cb -0.13 -0.80 0.49 0.00 0.10 0.00 0.00 66.02 65.68 2k5q s SER 70 CO 0.26 -0.41 0.94 0.47 0.98 0.00 0.00 173.24 175.48 2k5q n ASP 71 N 4.90 0.00 0.08 7.02 8.00 -1.26 0.10 116.55 135.39 2k5q n ASP 71 Ca -0.03 -0.27 -0.05 0.00 0.71 0.00 0.00 54.79 55.15 2k5q n ASP 71 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 2k5q n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2k5q h LYS 72 N 0.00 0.00 0.00 -1.24 1.79 -1.95 -3.39 116.57 111.79 2k5q h LYS 72 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k5q h LYS 72 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k5q h LYS 72 CO 0.00 0.89 -0.02 1.63 -1.08 0.00 0.00 179.45 180.87 2k5q n LYS 73 N -3.39 0.10 0.00 3.15 5.02 0.24 -5.04 118.16 118.24 2k5q n LYS 73 Ca 0.00 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 2k5q n LYS 73 Cb 0.87 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5q n GLY 74 N -0.02 1.30 2.98 0.72 0.00 0.29 -4.72 105.19 105.74 2k5q n GLY 74 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2k5q n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5q s VAL 75 N 0.00 1.02 -0.21 1.61 1.01 -1.25 -2.02 120.40 120.55 2k5q s VAL 75 Ca 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.70 2k5q s VAL 75 Cb 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 36.38 35.20 2k5q s VAL 75 CO 0.00 0.34 -0.01 -0.24 0.00 0.00 0.00 175.10 175.19 2k5q n SER 76 N 4.02 0.81 -3.30 3.32 2.88 -1.07 -4.93 113.62 115.35 2k5q n SER 76 Ca -0.22 -0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.21 2k5q n SER 76 Cb 0.51 0.40 0.01 0.00 -0.75 0.00 0.00 64.21 64.38 2k5q n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k5q s ALA 77 N -2.51 -0.95 -0.20 -1.46 0.00 -1.26 -5.02 121.76 110.36 2k5q s ALA 77 Ca -0.19 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2k5q s ALA 77 Cb 0.07 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.99 2k5q s ALA 77 CO 0.74 -1.01 0.54 1.67 0.00 0.00 0.00 175.76 177.71 2k5q s TRP 78 N -2.92 -0.59 -0.07 0.00 1.48 -1.26 -0.74 118.94 114.84 2k5q s TRP 78 Ca 0.14 1.43 0.05 0.00 -1.06 0.00 0.00 56.10 56.67 2k5q s TRP 78 Cb -0.05 0.21 -0.01 0.00 -1.16 0.00 0.00 33.47 32.45 2k5q s TRP 78 CO 0.09 -0.30 -0.24 -1.21 -4.06 0.00 0.00 176.95 171.24 2k5q s GLU 79 N 0.23 2.69 -0.45 3.25 2.02 -0.78 -4.95 118.70 120.71 2k5q s GLU 79 Ca -0.00 -0.89 -0.22 0.00 0.02 0.00 0.00 54.97 53.88 2k5q s GLU 79 Cb -0.04 -2.22 0.03 0.00 0.10 0.00 0.00 34.13 32.00 2k5q s GLU 79 CO 0.01 0.34 0.72 -2.00 0.02 0.00 0.00 175.26 174.35 2k5q s GLU 80 N -0.05 3.33 0.45 1.61 2.12 -1.26 -0.88 118.70 124.02 2k5q s GLU 80 Ca -0.07 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.06 2k5q s GLU 80 Cb -0.15 -3.96 -0.01 0.00 0.26 0.00 0.00 34.13 30.28 2k5q s GLU 80 CO 0.05 -1.09 0.34 0.14 -0.54 0.00 0.00 175.26 174.16 2k5q s VAL 81 N 3.07 2.26 0.06 3.70 -7.23 0.51 -5.01 120.40 117.76 2k5q s VAL 81 Ca 0.26 -1.48 0.09 0.00 -1.81 0.00 0.00 61.98 59.04 2k5q s VAL 81 Cb -0.13 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2k5q s VAL 81 CO 0.20 0.00 -0.23 -1.59 -0.31 0.00 0.00 175.10 173.17 2k5q s LYS 82 N -4.12 1.84 0.00 4.82 0.00 -1.26 -2.80 119.74 118.21 2k5q s LYS 82 Ca 0.42 -1.10 0.04 0.00 0.00 0.00 0.00 55.97 55.32 2k5q s LYS 82 Cb -0.01 -2.05 0.19 0.00 0.00 0.00 0.00 37.83 35.96 2k5q s LYS 82 CO 0.25 0.51 0.90 0.36 0.00 0.00 0.00 175.35 177.37 2k5q n LYS 83 N 1.53 0.06 0.21 1.78 -0.00 -1.26 -2.19 118.16 118.29 2k5q n LYS 83 Ca -0.17 0.22 0.10 0.00 -0.00 0.00 0.00 58.31 58.46 2k5q n LYS 83 Cb 0.52 -1.50 0.34 0.00 -0.00 0.00 0.00 35.03 34.39 2k5q n LYS 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2k5q h ASP 84 N 0.00 0.00 -0.11 -5.58 5.19 -1.98 -3.13 116.42 110.82 2k5q h ASP 84 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k5q h ASP 84 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2k5q h ASP 84 CO 0.00 0.20 0.00 -1.84 -3.12 0.00 0.00 179.24 174.48 2k5q n GLU 85 N -3.24 2.28 -3.12 3.56 0.28 -0.93 -4.91 120.64 114.55 2k5q n GLU 85 Ca 0.01 -1.87 -0.40 0.00 -0.16 0.00 0.00 57.16 54.74 2k5q n GLU 85 Cb 0.50 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 2k5q n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k5q s LEU 86 N -1.88 4.12 0.30 -1.84 1.43 -1.19 -5.05 118.68 114.57 2k5q s LEU 86 Ca 0.31 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.91 2k5q s LEU 86 Cb 0.21 -2.87 -0.10 0.00 0.03 0.00 0.00 46.19 43.45 2k5q s LEU 86 CO 0.31 -0.30 1.44 -2.84 0.23 0.00 0.00 176.35 175.19 2k5q s PRO 87 N 2.06 4.24 0.31 1.29 0.02 -1.26 -4.90 135.00 136.76 2k5q s PRO 87 Ca 0.28 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.71 2k5q s PRO 87 Cb -0.16 -3.06 0.68 0.00 0.02 0.00 0.00 34.50 31.98 2k5q s PRO 87 CO 0.10 -0.41 1.83 0.00 -0.33 0.00 0.00 177.00 178.19 2k5q h ALA 88 N 4.27 1.65 -0.74 -1.55 0.00 -1.97 -0.70 119.26 120.23 2k5q h ALA 88 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k5q h ALA 88 Cb 1.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2k5q h ALA 88 CO 0.73 0.07 0.47 0.87 0.00 0.00 0.00 179.25 181.38 2k5q h LYS 89 N 0.85 0.98 -0.23 0.00 1.79 -1.98 0.89 116.57 118.87 2k5q h LYS 89 Ca 0.50 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.74 2k5q h LYS 89 Cb 0.66 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2k5q h LYS 89 CO -0.27 0.67 -0.53 0.28 -1.08 0.00 0.00 179.45 178.51 2k5q h VAL 90 N 1.01 1.30 0.00 0.50 2.07 -1.52 -2.91 116.25 116.70 2k5q h VAL 90 Ca 0.27 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 2k5q h VAL 90 Cb -0.08 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k5q h VAL 90 CO -0.05 0.56 -0.03 0.50 0.02 0.00 0.00 177.57 178.56 2k5q h LYS 91 N 0.53 0.00 0.16 1.57 3.64 -0.72 -0.84 116.57 120.91 2k5q h LYS 91 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2k5q h LYS 91 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2k5q h LYS 91 CO 0.11 0.03 -0.08 1.49 -2.27 0.00 0.00 179.45 178.73 2k5q h GLU 92 N 0.00 -0.21 -0.04 1.90 4.81 0.99 -2.82 114.58 119.21 2k5q h GLU 92 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k5q h GLU 92 Cb 0.84 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2k5q h GLU 92 CO 0.00 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.96 2k5q n LYS 93 N -5.08 1.42 -2.56 1.92 4.01 -1.21 -4.97 118.16 111.69 2k5q n LYS 93 Ca -0.09 -0.62 -0.06 0.00 -0.51 0.00 0.00 58.31 57.03 2k5q n LYS 93 Cb 0.19 -1.44 0.01 0.00 -0.51 0.00 0.00 35.03 33.28 2k5q n LYS 93 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2k5q n LEU 94 N -0.22 -6.58 0.00 -0.35 0.00 -1.07 -4.02 117.00 104.77 2k5q n LEU 94 Ca 0.19 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.59 2k5q n LEU 94 Cb 0.25 -2.87 0.00 0.00 0.00 0.00 0.00 43.42 40.80 2k5q n LEU 94 CO 0.15 -1.78 0.00 0.61 0.00 0.00 0.00 177.39 176.38 2k5q n GLY 95 N -0.43 1.12 3.65 -3.96 0.00 -0.33 -4.93 105.19 100.30 2k5q n GLY 95 Ca 0.09 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2k5q n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5q s VAL 96 N -0.04 4.59 0.00 1.61 1.01 -1.26 -4.83 120.40 121.48 2k5q s VAL 96 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2k5q s VAL 96 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2k5q s VAL 96 CO 0.00 -0.35 0.00 1.17 0.00 0.00 0.00 175.10 175.92 2k5q n LYS 97 N 6.63 0.00 -2.90 2.72 4.81 -1.26 -4.56 118.16 123.60 2k5q n LYS 97 Ca 0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 2k5q n LYS 97 Cb 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.47 2k5q n LYS 97 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k5q s LEU 98 N 0.00 4.10 -0.19 3.14 1.43 -1.26 -4.82 118.68 121.08 2k5q s LEU 98 Ca 0.00 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2k5q s LEU 98 Cb 0.00 -3.18 -0.22 0.00 0.03 0.00 0.00 46.19 42.81 2k5q s LEU 98 CO 0.00 -0.48 0.07 1.21 0.23 0.00 0.00 176.35 177.38 2k5q n GLU 99 N 5.82 0.68 -1.50 1.70 2.13 -1.26 -4.97 120.64 123.23 2k5q n GLU 99 Ca 0.05 0.11 -0.17 0.00 0.66 0.00 0.00 57.16 57.81 2k5q n GLU 99 Cb 0.48 -1.57 -0.07 0.00 0.27 0.00 0.00 31.44 30.54 2k5q n GLU 99 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2k5q n HIS 100 N -3.04 0.00 -2.95 4.31 8.25 -1.26 -3.29 115.22 117.24 2k5q n HIS 100 Ca -0.35 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.01 2k5q n HIS 100 Cb 1.08 -3.13 0.01 0.00 1.12 0.00 0.00 29.99 29.07 2k5q n HIS 100 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5q n HIS 101 N -2.38 -3.18 -2.02 4.41 -0.00 -1.26 -4.84 115.22 105.95 2k5q n HIS 101 Ca -0.17 1.34 -0.43 0.00 0.46 0.00 0.00 57.72 58.92 2k5q n HIS 101 Cb 0.62 -3.40 -0.03 0.00 -0.12 0.00 0.00 29.99 27.07 2k5q n HIS 101 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5q s HIS 102 N -1.98 1.92 -0.31 1.57 5.04 -1.21 -4.98 115.29 115.35 2k5q s HIS 102 Ca 0.17 0.50 0.04 0.00 -1.54 0.00 0.00 55.06 54.23 2k5q s HIS 102 Cb -0.04 -4.04 0.08 0.00 0.04 0.00 0.00 32.58 28.63 2k5q s HIS 102 CO 0.71 -3.17 -0.02 -1.01 -2.34 0.00 0.00 174.74 168.91 2k5q s HIS 103 N 5.81 3.56 -0.15 3.88 3.76 -1.26 -4.93 115.29 125.95 2k5q s HIS 103 Ca 0.77 -2.72 0.01 0.00 -0.15 0.00 0.00 55.06 52.96 2k5q s HIS 103 Cb -0.26 -2.51 -0.23 0.00 1.11 0.00 0.00 32.58 30.69 2k5q s HIS 103 CO 0.32 -0.92 0.23 1.58 -0.85 0.00 0.00 174.74 175.10 2k5q n HIS 104 N 4.33 0.78 -0.89 1.40 -0.00 -1.26 -5.27 115.22 114.30 2k5q n HIS 104 Ca -0.04 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2k5q n HIS 104 Cb 0.42 -1.11 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 2k5q n HIS 104 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92