#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 6.17 0.02 3.17 1.11 -1.26 -4.92 116.67 120.96 2k5q s ASP 2 Ca 0.00 0.77 -0.28 0.00 0.18 0.00 0.00 52.55 53.22 2k5q s ASP 2 Cb 0.00 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.30 2k5q s ASP 2 CO 0.00 -1.58 1.16 0.17 1.18 0.00 0.00 175.17 176.10 2k5q h LEU 3 N 12.82 -0.82 0.00 1.23 -0.00 -2.10 -3.44 115.31 123.01 2k5q h LEU 3 Ca -0.28 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2k5q h LEU 3 Cb 1.12 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2k5q h LEU 3 CO 1.10 -0.45 0.00 0.59 -0.00 0.00 0.00 178.44 179.69 2k5q n ASN 4 N -5.42 0.00 0.00 0.17 4.13 -1.26 -0.08 115.26 112.79 2k5q n ASN 4 Ca -0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.14 2k5q n ASN 4 Cb 0.39 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2k5q n ASN 4 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2k5q n ARG 5 N 0.00 1.67 0.00 3.52 1.85 -1.26 -5.08 116.66 117.36 2k5q n ARG 5 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2k5q n ARG 5 Cb 0.00 -0.25 0.00 0.00 -1.05 0.00 0.00 32.46 31.16 2k5q n ARG 5 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2k5q n MET 6 N -0.25 0.00 -3.26 2.89 2.81 0.88 -4.80 117.12 115.40 2k5q n MET 6 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 2k5q n MET 6 Cb 0.03 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.56 2k5q n MET 6 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5q n GLY 7 N 0.00 -0.51 3.84 3.03 0.00 -1.26 -4.96 105.19 105.33 2k5q n GLY 7 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2k5q n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5q s LYS 8 N -5.93 4.09 0.44 1.61 1.02 -1.26 -5.06 119.74 114.65 2k5q s LYS 8 Ca 0.38 0.71 -0.14 0.00 0.02 0.00 0.00 55.97 56.95 2k5q s LYS 8 Cb -0.19 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.37 2k5q s LYS 8 CO 0.47 0.30 0.85 -0.51 -0.92 0.00 0.00 175.35 175.54 2k5q s ASP 9 N -1.96 6.60 -0.05 2.83 1.01 -0.33 -4.90 116.67 119.87 2k5q s ASP 9 Ca 0.47 1.32 -0.01 0.00 0.71 0.00 0.00 52.55 55.05 2k5q s ASP 9 Cb -0.13 -2.40 0.03 0.00 1.01 0.00 0.00 42.92 41.42 2k5q s ASP 9 CO 0.19 -0.44 0.02 -1.83 0.21 0.00 0.00 175.17 173.32 2k5q s GLU 10 N -3.80 0.25 -0.26 8.23 -1.05 -1.26 -0.08 118.70 120.73 2k5q s GLU 10 Ca 0.55 0.20 -0.09 0.00 -0.15 0.00 0.00 54.97 55.47 2k5q s GLU 10 Cb -0.10 -0.64 -0.04 0.00 -0.44 0.00 0.00 34.13 32.91 2k5q s GLU 10 CO 0.29 -0.26 0.13 0.71 0.95 0.00 0.00 175.26 177.08 2k5q s TYR 11 N 1.74 3.17 -0.72 4.83 1.51 0.56 -4.23 117.35 124.20 2k5q s TYR 11 Ca 0.00 -0.11 -0.27 0.00 -1.01 0.00 0.00 57.07 55.68 2k5q s TYR 11 Cb -0.13 -2.29 0.03 0.00 -0.11 0.00 0.00 41.96 39.47 2k5q s TYR 11 CO -0.03 -0.21 1.26 0.71 -1.11 0.00 0.00 175.55 176.16 2k5q s TYR 12 N 1.56 2.33 0.34 2.71 2.02 0.01 -1.39 117.35 124.92 2k5q s TYR 12 Ca 0.06 -0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.81 2k5q s TYR 12 Cb -0.15 -4.60 -0.03 0.00 -0.40 0.00 0.00 41.96 36.78 2k5q s TYR 12 CO 0.07 -2.02 0.31 0.14 -1.57 0.00 0.00 175.55 172.48 2k5q s VAL 13 N 5.59 3.52 -0.16 0.71 -7.23 -0.24 -3.09 120.40 119.51 2k5q s VAL 13 Ca 0.35 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2k5q s VAL 13 Cb -0.08 -3.19 0.04 0.00 0.56 0.00 0.00 36.38 33.71 2k5q s VAL 13 CO 0.16 -0.16 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.15 2k5q s GLN 14 N -4.01 1.44 -0.75 4.82 -0.44 -1.26 -0.12 119.66 119.33 2k5q s GLN 14 Ca 0.42 -0.47 -0.26 0.00 -2.50 0.00 0.00 55.36 52.55 2k5q s GLN 14 Cb -0.06 -1.93 -0.08 0.00 -1.64 0.00 0.00 33.01 29.30 2k5q s GLN 14 CO 0.27 -0.41 2.16 0.42 0.50 0.00 0.00 175.29 178.23 2k5q s ILE 15 N 1.65 3.22 -0.22 -2.34 -1.09 -0.90 -4.68 121.20 116.84 2k5q s ILE 15 Ca 0.01 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 2k5q s ILE 15 Cb -0.15 -3.51 -0.20 0.00 -1.58 0.00 0.00 42.46 37.02 2k5q s ILE 15 CO -0.08 -0.49 -0.06 0.35 -1.23 0.00 0.00 174.94 173.44 2k5q n THR 16 N 8.09 1.50 -3.10 2.92 -2.24 -1.26 -1.52 114.28 118.66 2k5q n THR 16 Ca 0.38 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2k5q n THR 16 Cb 0.48 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 2k5q n THR 16 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2k5q s VAL 17 N -2.52 4.97 0.16 2.28 -7.23 -1.26 -4.98 120.40 111.81 2k5q s VAL 17 Ca -0.26 1.10 0.04 0.00 -1.81 0.00 0.00 61.98 61.04 2k5q s VAL 17 Cb 0.08 -3.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2k5q s VAL 17 CO 0.68 -0.01 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.76 2k5q s ASP 18 N 1.50 1.77 0.00 4.85 2.15 -1.26 -4.80 116.67 120.88 2k5q s ASP 18 Ca 0.26 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.20 2k5q s ASP 18 Cb -0.15 -0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.46 2k5q s ASP 18 CO 0.09 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2k5q n GLY 19 N -0.22 0.30 3.57 2.66 0.00 -1.26 -4.94 105.19 105.29 2k5q n GLY 19 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.82 2.77 -0.49 1.61 1.02 -1.26 -4.94 119.74 117.62 2k5q s LYS 20 Ca 0.00 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 2k5q s LYS 20 Cb 0.00 -5.18 0.03 0.00 -0.52 0.00 0.00 37.83 32.16 2k5q s LYS 20 CO 0.00 -3.33 1.03 -1.83 -0.92 0.00 0.00 175.35 170.30 2k5q s GLU 21 N 6.41 3.57 -1.02 1.68 -1.05 -1.26 -0.18 118.70 126.85 2k5q s GLU 21 Ca 0.65 0.26 -0.17 0.00 -0.15 0.00 0.00 54.97 55.56 2k5q s GLU 21 Cb -0.03 -3.94 0.14 0.00 -0.44 0.00 0.00 34.13 29.85 2k5q s GLU 21 CO 0.03 -1.35 1.24 0.14 0.95 0.00 0.00 175.26 176.27 2k5q s VAL 22 N 4.14 4.76 -1.55 1.83 -7.23 0.49 -4.84 120.40 118.01 2k5q s VAL 22 Ca 0.41 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 58.81 2k5q s VAL 22 Cb -0.09 -4.84 0.15 0.00 0.56 0.00 0.00 36.38 32.17 2k5q s VAL 22 CO 0.27 -1.57 1.08 1.57 -0.31 0.00 0.00 175.10 176.14 2k5q n HIS 23 N 6.44 0.00 0.19 2.82 -0.00 -1.26 -2.16 115.22 121.25 2k5q n HIS 23 Ca 0.29 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.50 2k5q n HIS 23 Cb 0.47 -0.23 0.17 0.00 -0.12 0.00 0.00 29.99 30.28 2k5q n HIS 23 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k5q n SER 24 N -1.23 0.07 -0.36 0.26 2.88 -1.26 -2.02 113.62 111.96 2k5q n SER 24 Ca 0.04 0.53 0.01 0.00 -1.33 0.00 0.00 58.87 58.12 2k5q n SER 24 Cb 0.05 -0.54 0.04 0.00 -0.75 0.00 0.00 64.21 63.02 2k5q n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k5q n LYS 25 N -1.59 1.29 -0.24 -1.46 4.76 -0.92 -4.31 118.16 115.70 2k5q n LYS 25 Ca 0.01 -0.32 0.04 0.00 -2.87 0.00 0.00 58.31 55.17 2k5q n LYS 25 Cb 0.07 -1.28 0.17 0.00 -1.84 0.00 0.00 35.03 32.14 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k5q h ALA 26 N 2.77 0.92 -0.24 7.82 0.00 -1.61 -3.43 119.26 125.49 2k5q h ALA 26 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k5q h ALA 26 Cb 0.34 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k5q h ALA 26 CO 0.02 -0.30 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 2k5q n ASP 27 N -5.12 0.00 -0.04 0.00 8.00 -1.26 -0.68 116.55 117.45 2k5q n ASP 27 Ca 0.13 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 2k5q n ASP 27 Cb 0.42 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.71 2k5q n ASP 27 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2k5q h ASN 28 N 0.00 0.62 0.00 -2.24 -0.73 -1.99 -3.46 115.58 107.77 2k5q h ASN 28 Ca 0.00 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2k5q h ASN 28 Cb 0.00 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.42 2k5q h ASN 28 CO 0.00 0.77 0.00 0.61 -0.37 0.00 0.00 177.43 178.44 2k5q n GLY 29 N -0.53 1.58 2.97 1.57 0.00 0.14 -5.16 105.19 105.77 2k5q n GLY 29 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2k5q n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5q n GLN 30 N -0.01 0.95 -0.34 1.61 6.02 -1.21 -5.05 117.38 119.34 2k5q n GLN 30 Ca 0.00 -2.90 0.11 0.00 -0.01 0.00 0.00 57.00 54.19 2k5q n GLN 30 Cb 0.00 0.62 0.29 0.00 1.02 0.00 0.00 30.24 32.17 2k5q n GLN 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k5q n LYS 31 N -1.20 2.56 -2.34 -1.09 5.02 -1.26 -4.63 118.16 115.21 2k5q n LYS 31 Ca -0.12 -2.39 -0.41 0.00 -2.02 0.00 0.00 58.31 53.38 2k5q n LYS 31 Cb 0.51 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2k5q n LYS 31 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2k5q s TYR 32 N -1.13 3.38 -0.03 2.13 -0.85 -1.26 -5.04 117.35 114.56 2k5q s TYR 32 Ca 0.44 1.56 0.01 0.00 -0.52 0.00 0.00 57.07 58.57 2k5q s TYR 32 Cb 0.23 -3.44 0.02 0.00 0.38 0.00 0.00 41.96 39.15 2k5q s TYR 32 CO 0.30 -1.08 -0.03 0.15 -1.52 0.00 0.00 175.55 173.36 2k5q s LYS 33 N -1.37 0.61 0.51 -3.49 1.02 -1.26 -4.39 119.74 111.38 2k5q s LYS 33 Ca 0.47 -0.07 -0.07 0.00 0.02 0.00 0.00 55.97 56.33 2k5q s LYS 33 Cb -0.35 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 2k5q s LYS 33 CO 0.44 -0.06 0.84 -0.51 -0.92 0.00 0.00 175.35 175.14 2k5q s ASP 34 N 0.76 6.26 -0.08 2.83 1.11 -1.25 -4.86 116.67 121.43 2k5q s ASP 34 Ca -0.09 1.04 -0.01 0.00 0.18 0.00 0.00 52.55 53.67 2k5q s ASP 34 Cb -0.12 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 2k5q s ASP 34 CO -0.00 -0.64 -0.02 -0.31 1.18 0.00 0.00 175.17 175.38 2k5q s TYR 35 N -2.83 3.08 -0.22 4.23 1.51 0.04 -0.38 117.35 122.78 2k5q s TYR 35 Ca 0.49 0.12 -0.09 0.00 -1.01 0.00 0.00 57.07 56.58 2k5q s TYR 35 Cb -0.10 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2k5q s TYR 35 CO 0.47 0.40 0.11 -2.00 -1.11 0.00 0.00 175.55 173.42 2k5q s GLU 36 N -0.81 3.94 -0.50 -0.62 2.12 0.75 -1.17 118.70 122.41 2k5q s GLU 36 Ca 0.12 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.14 2k5q s GLU 36 Cb -0.11 -3.39 0.13 0.00 0.26 0.00 0.00 34.13 31.02 2k5q s GLU 36 CO 0.02 0.06 0.27 0.71 -0.54 0.00 0.00 175.26 175.78 2k5q s TYR 37 N 0.99 2.78 -0.26 5.30 2.02 -0.77 -4.40 117.35 123.01 2k5q s TYR 37 Ca 0.06 -2.93 -0.10 0.00 -0.37 0.00 0.00 57.07 53.73 2k5q s TYR 37 Cb -0.14 -2.48 -0.05 0.00 -0.40 0.00 0.00 41.96 38.90 2k5q s TYR 37 CO 0.03 -0.74 0.16 0.21 -1.57 0.00 0.00 175.55 173.64 2k5q s LYS 38 N -0.14 3.94 0.34 -0.62 2.20 -1.26 -2.26 119.74 121.94 2k5q s LYS 38 Ca 0.18 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.33 2k5q s LYS 38 Cb -0.24 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 2k5q s LYS 38 CO -0.01 -0.11 0.66 -0.48 -0.36 0.00 0.00 175.35 175.05 2k5q s LEU 39 N 1.52 0.29 -0.30 5.43 0.05 -0.66 -4.84 118.68 120.17 2k5q s LEU 39 Ca 0.07 -1.15 -0.17 0.00 0.05 0.00 0.00 54.13 52.93 2k5q s LEU 39 Cb -0.15 2.33 -0.02 0.00 -2.05 0.00 0.00 46.19 46.30 2k5q s LEU 39 CO 0.08 -1.48 0.47 -0.89 -0.55 0.00 0.00 176.35 173.99 2k5q s THR 40 N -2.92 5.08 -0.15 5.48 2.01 -1.26 -2.79 115.64 121.08 2k5q s THR 40 Ca 0.20 0.56 -0.11 0.00 0.31 0.00 0.00 61.69 62.65 2k5q s THR 40 Cb -0.03 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2k5q s THR 40 CO 0.13 -0.02 0.21 -0.83 -0.69 0.00 0.00 174.62 173.42 2k5q s GLY 41 N 1.66 2.16 -0.31 4.40 0.00 0.27 -4.66 107.32 110.85 2k5q s GLY 41 Ca 0.18 -0.56 -0.10 0.00 0.00 0.00 0.00 44.72 44.24 2k5q s GLY 41 CO 0.11 0.07 0.17 -1.36 0.00 0.00 0.00 173.10 172.09 2k5q s PHE 42 N -0.14 3.19 0.94 1.90 0.08 -1.18 -1.03 117.98 121.74 2k5q s PHE 42 Ca 0.14 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 2k5q s PHE 42 Cb -0.12 -2.37 0.21 0.00 -0.57 0.00 0.00 43.02 40.16 2k5q s PHE 42 CO 0.03 -0.39 1.28 -0.40 -0.10 0.00 0.00 175.22 175.65 2k5q n ASP 43 N 5.01 0.32 0.06 1.36 5.68 -1.25 -0.81 116.55 126.92 2k5q n ASP 43 Ca -0.14 -1.60 -0.01 0.00 -0.50 0.00 0.00 54.79 52.54 2k5q n ASP 43 Cb 0.50 -0.96 0.28 0.00 -1.14 0.00 0.00 41.12 39.80 2k5q n ASP 43 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2k5q h LYS 44 N 0.00 0.37 0.04 0.11 1.57 -1.97 -3.08 116.57 113.61 2k5q h LYS 44 Ca -0.42 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2k5q h LYS 44 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2k5q h LYS 44 CO 0.32 0.56 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.29 2k5q h ASP 45 N 0.34 -0.04 0.00 0.86 3.32 -1.96 -3.48 116.42 115.45 2k5q h ASP 45 Ca 0.06 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2k5q h ASP 45 Cb 0.54 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2k5q h ASP 45 CO 0.04 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 2k5q n GLY 46 N -0.22 0.86 3.68 2.75 0.00 -1.16 -5.17 105.19 105.93 2k5q n GLY 46 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2k5q n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5q n LYS 47 N 0.00 0.68 -4.03 1.61 5.02 -1.26 -4.96 118.16 115.22 2k5q n LYS 47 Ca 0.00 -3.18 -0.32 0.00 -2.02 0.00 0.00 58.31 52.79 2k5q n LYS 47 Cb 0.00 0.14 -0.15 0.00 -0.02 0.00 0.00 35.03 35.00 2k5q n LYS 47 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k5q s GLU 48 N -4.29 2.10 -0.13 1.97 2.02 -1.26 -3.85 118.70 115.26 2k5q s GLU 48 Ca 0.40 -1.46 -0.10 0.00 0.02 0.00 0.00 54.97 53.83 2k5q s GLU 48 Cb -0.03 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 2k5q s GLU 48 CO 0.25 -0.67 0.20 0.21 0.02 0.00 0.00 175.26 175.28 2k5q s LYS 49 N 1.08 3.84 -0.31 1.61 2.47 -0.20 -4.91 119.74 123.32 2k5q s LYS 49 Ca -0.04 -0.03 -0.16 0.00 -1.56 0.00 0.00 55.97 54.18 2k5q s LYS 49 Cb -0.20 -3.29 -0.02 0.00 -1.46 0.00 0.00 37.83 32.86 2k5q s LYS 49 CO -0.05 0.55 0.42 -2.00 0.16 0.00 0.00 175.35 174.43 2k5q s GLU 50 N -0.42 3.82 -0.02 4.03 2.12 -1.26 -0.57 118.70 126.40 2k5q s GLU 50 Ca 0.15 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 2k5q s GLU 50 Cb -0.13 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.54 2k5q s GLU 50 CO 0.04 -0.44 0.05 -0.48 -0.54 0.00 0.00 175.26 173.90 2k5q s LEU 51 N 2.17 1.81 -0.23 2.70 2.34 -1.12 -5.02 118.68 121.33 2k5q s LEU 51 Ca 0.16 0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.43 2k5q s LEU 51 Cb -0.16 0.19 0.06 0.00 -0.56 0.00 0.00 46.19 45.72 2k5q s LEU 51 CO 0.11 -0.04 -0.05 -1.83 -1.06 0.00 0.00 176.35 173.49 2k5q s GLU 52 N -0.06 1.56 -0.11 1.48 1.03 -1.26 -1.66 118.70 119.68 2k5q s GLU 52 Ca -0.01 -0.93 -0.02 0.00 0.03 0.00 0.00 54.97 54.04 2k5q s GLU 52 Cb -0.01 -2.53 -0.03 0.00 -0.80 0.00 0.00 34.13 30.76 2k5q s GLU 52 CO 0.00 -0.59 -0.04 -0.59 -1.33 0.00 0.00 175.26 172.71 2k5q s PHE 53 N 1.44 3.02 -0.18 4.83 -0.71 -0.96 -4.92 117.98 120.49 2k5q s PHE 53 Ca -0.05 -0.10 -0.10 0.00 -1.04 0.00 0.00 56.93 55.63 2k5q s PHE 53 Cb -0.19 -1.84 -0.05 0.00 -1.21 0.00 0.00 43.02 39.74 2k5q s PHE 53 CO -0.06 0.18 0.16 0.95 -1.34 0.00 0.00 175.22 175.11 2k5q s THR 54 N -0.27 5.40 -0.01 -4.49 -4.23 -1.26 -1.85 115.64 108.92 2k5q s THR 54 Ca 0.05 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2k5q s THR 54 Cb -0.13 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 2k5q s THR 54 CO 0.02 0.45 -0.18 0.00 -0.54 0.00 0.00 174.62 174.37 2k5q s ALA 55 N 0.23 2.52 0.32 3.99 0.00 -0.31 -4.89 121.76 123.61 2k5q s ALA 55 Ca 0.10 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2k5q s ALA 55 Cb -0.12 -0.79 0.54 0.00 0.00 0.00 0.00 23.12 22.76 2k5q s ALA 55 CO -0.00 0.56 1.89 0.37 0.00 0.00 0.00 175.76 178.57 2k5q h GLN 56 N 5.10 0.71 -6.19 0.00 -0.00 -1.91 0.16 115.11 112.98 2k5q h GLN 56 Ca -0.46 -0.12 -0.54 0.00 -0.00 0.00 0.00 58.65 57.53 2k5q h GLN 56 Cb 1.15 -0.12 -0.08 0.00 0.00 0.00 0.00 27.48 28.43 2k5q h GLN 56 CO 0.49 0.62 -0.59 0.15 0.00 0.00 0.00 178.83 179.50 2k5q s LYS 57 N -5.23 2.52 -0.18 1.69 1.02 -1.26 -4.72 119.74 113.58 2k5q s LYS 57 Ca -0.09 -1.31 -0.24 0.00 0.02 0.00 0.00 55.97 54.34 2k5q s LYS 57 Cb 0.16 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 2k5q s LYS 57 CO 0.78 0.33 0.80 1.21 -0.92 0.00 0.00 175.35 177.55 2k5q s ASN 58 N -3.76 6.90 0.49 2.83 2.47 -1.26 -4.76 114.94 117.84 2k5q s ASN 58 Ca 0.33 1.11 0.01 0.00 0.42 0.00 0.00 52.86 54.72 2k5q s ASN 58 Cb -0.06 -2.44 0.06 0.00 -1.45 0.00 0.00 41.25 37.36 2k5q s ASN 58 CO 0.22 -0.39 0.45 0.00 -3.72 0.00 0.00 177.10 173.66 2k5q n LEU 59 N 5.28 0.00 -4.61 3.21 -0.00 -1.26 -5.01 117.00 114.61 2k5q n LEU 59 Ca 0.04 -1.02 -0.43 0.00 -0.00 0.00 0.00 56.01 54.59 2k5q n LEU 59 Cb 0.49 -0.28 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 2k5q n LEU 59 CO 0.47 -0.70 1.21 -0.60 -0.00 0.00 0.00 177.39 177.77 2k5q s ARG 60 N -3.56 3.67 0.59 1.47 3.52 -1.26 -5.01 118.95 118.37 2k5q s ARG 60 Ca 0.30 1.03 -0.14 0.00 -0.13 0.00 0.00 55.73 56.80 2k5q s ARG 60 Cb -0.02 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 2k5q s ARG 60 CO 0.20 -1.44 1.02 -1.59 -0.81 0.00 0.00 175.30 172.68 2k5q s LYS 61 N 4.71 3.62 0.00 5.12 -2.85 -1.26 -3.61 119.74 125.47 2k5q s LYS 61 Ca 0.60 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.47 2k5q s LYS 61 Cb -0.15 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.54 2k5q s LYS 61 CO 0.30 -0.55 0.00 -1.91 0.10 0.00 0.00 175.35 173.29 2k5q n GLU 62 N -2.29 -0.29 -2.98 1.78 2.13 -0.58 -4.99 120.64 113.42 2k5q n GLU 62 Ca 0.07 0.07 -0.24 0.00 0.66 0.00 0.00 57.16 57.72 2k5q n GLU 62 Cb 0.54 -3.77 0.01 0.00 0.27 0.00 0.00 31.44 28.49 2k5q n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k5q s ALA 63 N -2.07 3.70 -0.42 4.31 0.00 -1.24 -4.86 121.76 121.19 2k5q s ALA 63 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 2k5q s ALA 63 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2k5q s ALA 63 CO 0.00 -0.35 0.46 -0.06 0.00 0.00 0.00 175.76 175.81 2k5q s PHE 64 N -2.56 3.16 -0.24 0.00 0.40 0.29 -2.11 117.98 116.92 2k5q s PHE 64 Ca 0.47 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 56.35 2k5q s PHE 64 Cb -0.10 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 2k5q s PHE 64 CO 0.38 -0.72 0.13 -1.17 0.70 0.00 0.00 175.22 174.54 2k5q s LEU 65 N 2.19 3.86 -0.55 -0.37 0.20 0.83 -0.57 118.68 124.28 2k5q s LEU 65 Ca 0.13 -0.01 -0.23 0.00 0.69 0.00 0.00 54.13 54.71 2k5q s LEU 65 Cb -0.17 -2.04 0.05 0.00 -0.43 0.00 0.00 46.19 43.60 2k5q s LEU 65 CO 0.14 0.03 0.88 -0.13 -0.29 0.00 0.00 176.35 176.98 2k5q s ARG 66 N 1.27 3.28 -0.26 1.98 0.52 0.63 -1.08 118.95 125.30 2k5q s ARG 66 Ca 0.06 -0.42 -0.13 0.00 -0.52 0.00 0.00 55.73 54.73 2k5q s ARG 66 Cb -0.14 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.21 2k5q s ARG 66 CO 0.05 -1.45 0.28 0.08 0.02 0.00 0.00 175.30 174.28 2k5q s VAL 67 N 3.69 5.26 0.50 3.52 1.01 -0.49 -1.50 120.40 132.39 2k5q s VAL 67 Ca 0.27 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 2k5q s VAL 67 Cb -0.14 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2k5q s VAL 67 CO 0.17 0.24 1.08 -0.47 0.00 0.00 0.00 175.10 176.12 2k5q s TYR 68 N 1.63 2.89 -0.04 5.22 5.04 -0.49 -0.32 117.35 131.29 2k5q s TYR 68 Ca 0.12 1.57 -0.02 0.00 -2.44 0.00 0.00 57.07 56.29 2k5q s TYR 68 Cb -0.15 -3.17 0.02 0.00 0.35 0.00 0.00 41.96 39.01 2k5q s TYR 68 CO 0.09 -1.12 0.09 -1.58 -1.34 0.00 0.00 175.55 171.69 2k5q s HIS 69 N -1.85 -0.09 -0.02 4.97 5.65 0.88 -4.23 115.29 120.60 2k5q s HIS 69 Ca 0.68 0.28 -0.07 0.00 0.25 0.00 0.00 55.06 56.20 2k5q s HIS 69 Cb -0.20 -0.04 0.01 0.00 -1.18 0.00 0.00 32.58 31.16 2k5q s HIS 69 CO 0.24 -0.08 0.15 -1.12 -0.65 0.00 0.00 174.74 173.27 2k5q s SER 70 N 0.50 -0.03 0.31 9.88 0.01 -0.47 -1.18 113.70 122.71 2k5q s SER 70 Ca -0.04 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.18 2k5q s SER 70 Cb -0.05 0.25 0.54 0.00 0.21 0.00 0.00 66.02 66.96 2k5q s SER 70 CO -0.02 -0.28 1.94 -2.24 0.41 0.00 0.00 173.24 173.04 2k5q h ASP 71 N 4.72 0.88 0.96 2.44 2.03 -1.99 0.47 116.42 125.93 2k5q h ASP 71 Ca -0.29 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2k5q h ASP 71 Cb 1.19 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2k5q h ASP 71 CO 0.40 0.59 0.00 0.29 -1.03 0.00 0.00 179.24 179.49 2k5q n LYS 72 N -4.46 0.15 0.00 4.15 5.02 -1.26 -4.03 118.16 117.72 2k5q n LYS 72 Ca 0.12 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2k5q n LYS 72 Cb 0.15 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2k5q n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k5q n LYS 73 N -1.98 0.00 0.00 1.97 4.81 -1.10 -5.08 118.16 116.77 2k5q n LYS 73 Ca 0.04 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2k5q n LYS 73 Cb 0.30 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.13 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5q n GLY 74 N 0.00 1.53 3.18 3.14 0.00 0.16 -4.76 105.19 108.44 2k5q n GLY 74 Ca 0.00 0.33 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 1.23 0.40 1.61 1.01 -1.26 -1.37 120.40 122.01 2k5q s VAL 75 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2k5q s VAL 75 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2k5q s VAL 75 CO 0.00 -0.03 0.00 -1.20 0.00 0.00 0.00 175.10 173.87 2k5q n SER 76 N 1.67 -2.53 -4.86 3.32 7.64 -1.26 -5.04 113.62 112.56 2k5q n SER 76 Ca -0.19 0.73 -0.33 0.00 1.01 0.00 0.00 58.87 60.09 2k5q n SER 76 Cb 0.54 2.45 -0.06 0.00 -1.01 0.00 0.00 64.21 66.13 2k5q n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5q s ALA 77 N -1.97 3.82 -0.03 -0.43 0.00 -1.26 -5.03 121.76 116.85 2k5q s ALA 77 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 2k5q s ALA 77 Cb 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 23.12 21.42 2k5q s ALA 77 CO 0.00 0.72 0.70 1.67 0.00 0.00 0.00 175.76 178.85 2k5q s TRP 78 N -1.26 -0.62 0.05 0.00 1.48 -1.26 -1.40 118.94 115.93 2k5q s TRP 78 Ca 0.25 0.97 0.04 0.00 -1.06 0.00 0.00 56.10 56.30 2k5q s TRP 78 Cb -0.12 0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 32.60 2k5q s TRP 78 CO 0.16 -0.62 -0.12 -1.21 -4.06 0.00 0.00 176.95 171.11 2k5q s GLU 79 N -1.55 0.74 -0.28 3.25 2.02 -0.56 -4.99 118.70 117.34 2k5q s GLU 79 Ca -0.08 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 53.99 2k5q s GLU 79 Cb -0.00 -0.68 -0.04 0.00 0.10 0.00 0.00 34.13 33.52 2k5q s GLU 79 CO 0.06 0.15 0.35 -1.21 0.02 0.00 0.00 175.26 174.64 2k5q s GLU 80 N -1.37 3.97 0.36 1.61 2.02 -1.26 -0.27 118.70 123.76 2k5q s GLU 80 Ca -0.03 -0.04 0.04 0.00 0.02 0.00 0.00 54.97 54.97 2k5q s GLU 80 Cb -0.09 -3.67 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 2k5q s GLU 80 CO 0.01 -0.29 0.17 0.14 0.02 0.00 0.00 175.26 175.31 2k5q s VAL 81 N 2.04 0.39 0.31 2.63 -7.23 0.27 -4.99 120.40 113.82 2k5q s VAL 81 Ca 0.14 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.41 2k5q s VAL 81 Cb -0.16 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 2k5q s VAL 81 CO 0.10 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.25 2k5q s LYS 82 N -3.68 1.86 0.65 4.82 1.02 -1.26 -0.55 119.74 122.59 2k5q s LYS 82 Ca 0.31 -1.80 0.42 0.00 0.02 0.00 0.00 55.97 54.91 2k5q s LYS 82 Cb 0.03 -1.81 2.26 0.00 -0.52 0.00 0.00 37.83 37.79 2k5q s LYS 82 CO 0.18 0.22 2.33 1.57 -0.92 0.00 0.00 175.35 178.74 2k5q h LYS 83 N 2.06 0.00 -0.05 1.68 -0.00 -1.92 0.03 116.57 118.35 2k5q h LYS 83 Ca -0.42 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.06 2k5q h LYS 83 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.48 2k5q h LYS 83 CO 0.65 0.00 -0.72 -0.44 -0.00 0.00 0.00 179.45 178.94 2k5q h ASP 84 N 0.00 0.36 1.35 7.07 5.19 -1.98 -3.20 116.42 125.21 2k5q h ASP 84 Ca -0.00 -0.24 -0.13 0.00 -0.62 0.00 0.00 57.03 56.04 2k5q h ASP 84 Cb 0.04 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2k5q h ASP 84 CO 0.00 0.96 -0.65 -0.33 -3.12 0.00 0.00 179.24 176.10 2k5q h GLU 85 N 0.20 0.00 -7.20 3.56 5.08 -1.41 -3.46 114.58 111.35 2k5q h GLU 85 Ca -0.03 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.84 2k5q h GLU 85 Cb 1.29 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.59 2k5q h GLU 85 CO 0.12 0.63 0.38 -0.51 -1.00 0.00 0.00 179.01 178.62 2k5q s LEU 86 N -6.51 3.52 0.38 1.33 1.43 -0.85 -5.00 118.68 112.98 2k5q s LEU 86 Ca 0.03 1.77 -0.28 0.00 -1.03 0.00 0.00 54.13 54.62 2k5q s LEU 86 Cb 0.08 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 2k5q s LEU 86 CO 0.77 -1.06 1.46 -2.84 0.23 0.00 0.00 176.35 174.90 2k5q s PRO 87 N -4.09 4.08 0.58 1.29 0.02 -1.26 -4.89 135.00 130.72 2k5q s PRO 87 Ca 0.63 2.51 0.28 0.00 0.02 0.00 0.00 61.00 64.43 2k5q s PRO 87 Cb -0.15 -2.93 1.59 0.00 0.02 0.00 0.00 34.50 33.02 2k5q s PRO 87 CO 0.36 -0.53 2.06 0.00 -0.33 0.00 0.00 177.00 178.55 2k5q h ALA 88 N 2.95 1.95 -0.46 -1.55 0.00 -1.94 0.13 119.26 120.33 2k5q h ALA 88 Ca -0.51 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.53 2k5q h ALA 88 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2k5q h ALA 88 CO 0.64 -0.39 0.33 -0.22 0.00 0.00 0.00 179.25 179.61 2k5q h LYS 89 N 0.00 0.00 -0.81 0.00 1.63 -1.97 -0.19 116.57 115.23 2k5q h LYS 89 Ca 0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2k5q h LYS 89 Cb 0.64 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 2k5q h LYS 89 CO -0.00 0.00 0.52 0.28 -3.45 0.00 0.00 179.45 176.80 2k5q h VAL 90 N 0.00 1.21 -0.02 2.00 2.07 -1.33 0.18 116.25 120.37 2k5q h VAL 90 Ca 0.22 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 2k5q h VAL 90 Cb 0.88 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2k5q h VAL 90 CO -0.00 0.21 -0.61 0.50 0.02 0.00 0.00 177.57 177.69 2k5q h LYS 91 N 1.10 0.07 0.00 1.57 3.64 -1.20 -0.48 116.57 121.27 2k5q h LYS 91 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2k5q h LYS 91 Cb -0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2k5q h LYS 91 CO -0.06 0.66 0.00 0.39 -2.27 0.00 0.00 179.45 178.17 2k5q n GLU 92 N -3.83 0.04 -0.07 1.90 1.02 -0.59 -3.26 120.64 115.86 2k5q n GLU 92 Ca -0.02 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.11 2k5q n GLU 92 Cb 0.61 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.52 2k5q n GLU 92 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2k5q n LYS 93 N -1.48 0.42 -5.24 3.49 3.00 0.53 -4.85 118.16 114.04 2k5q n LYS 93 Ca 0.07 0.49 -0.32 0.00 -0.00 0.00 0.00 58.31 58.56 2k5q n LYS 93 Cb 0.31 -1.61 -0.17 0.00 0.00 0.00 0.00 35.03 33.56 2k5q n LYS 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k5q s LEU 94 N -7.92 2.07 0.00 3.14 1.02 -0.24 -4.73 118.68 112.03 2k5q s LEU 94 Ca -0.14 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.48 2k5q s LEU 94 Cb 0.02 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.85 2k5q s LEU 94 CO 0.21 0.21 0.00 0.61 0.02 0.00 0.00 176.35 177.40 2k5q n GLY 95 N 3.17 1.03 3.76 -3.19 0.00 -1.25 -4.21 105.19 104.50 2k5q n GLY 95 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 3.44 0.29 1.61 1.01 -1.20 -4.93 120.40 118.62 2k5q s VAL 96 Ca 0.00 1.38 0.10 0.00 0.00 0.00 0.00 61.98 63.46 2k5q s VAL 96 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2k5q s VAL 96 CO 0.00 0.28 -0.03 -1.59 0.00 0.00 0.00 175.10 173.76 2k5q s LYS 97 N -1.67 2.11 0.93 2.72 -2.85 -1.26 -5.15 119.74 114.57 2k5q s LYS 97 Ca 0.47 -1.60 -0.13 0.00 -1.00 0.00 0.00 55.97 53.72 2k5q s LYS 97 Cb -0.31 -2.01 0.15 0.00 -2.06 0.00 0.00 37.83 33.59 2k5q s LYS 97 CO 0.40 0.28 1.15 -0.48 0.10 0.00 0.00 175.35 176.79 2k5q s LEU 98 N -3.66 2.00 -0.32 2.77 0.05 -1.26 -3.98 118.68 114.28 2k5q s LEU 98 Ca 0.32 0.91 0.00 0.00 0.05 0.00 0.00 54.13 55.41 2k5q s LEU 98 Cb -0.04 -3.19 0.00 0.00 -2.05 0.00 0.00 46.19 40.91 2k5q s LEU 98 CO 0.19 -2.62 0.00 1.21 -0.55 0.00 0.00 176.35 174.57 2k5q n GLU 99 N -3.80 -1.44 0.00 1.48 2.13 -1.26 -4.84 120.64 112.91 2k5q n GLU 99 Ca 0.07 0.51 0.14 0.00 0.66 0.00 0.00 57.16 58.54 2k5q n GLU 99 Cb 0.59 -4.65 0.58 0.00 0.27 0.00 0.00 31.44 28.23 2k5q n GLU 99 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2k5q n HIS 100 N -2.30 0.00 0.83 4.31 -0.00 -1.26 -3.06 115.22 113.74 2k5q n HIS 100 Ca -0.03 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.16 2k5q n HIS 100 Cb 0.41 -0.24 0.07 0.00 -0.12 0.00 0.00 29.99 30.11 2k5q n HIS 100 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5q n HIS 101 N -1.10 0.34 -1.55 1.57 8.25 -1.26 -4.89 115.22 116.58 2k5q n HIS 101 Ca 0.12 -0.12 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2k5q n HIS 101 Cb 0.29 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 2k5q n HIS 101 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5q n HIS 102 N 0.07 1.49 -3.82 4.41 -0.00 -1.17 -4.93 115.22 111.27 2k5q n HIS 102 Ca 0.05 0.10 -0.12 0.00 -0.00 0.00 0.00 57.72 57.74 2k5q n HIS 102 Cb 0.36 -2.63 -0.11 0.00 -0.00 0.00 0.00 29.99 27.62 2k5q n HIS 102 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5q s HIS 103 N 10.81 -0.13 0.60 1.57 -3.43 -1.26 -5.16 115.29 118.29 2k5q s HIS 103 Ca 1.02 0.27 -0.17 0.00 -0.80 0.00 0.00 55.06 55.38 2k5q s HIS 103 Cb -0.34 0.04 -0.03 0.00 -1.43 0.00 0.00 32.58 30.81 2k5q s HIS 103 CO 0.31 -0.22 1.12 -1.01 -2.00 0.00 0.00 174.74 172.94 2k5q s HIS 104 N -0.66 2.66 0.00 0.38 3.76 -1.26 -5.28 115.29 114.89 2k5q s HIS 104 Ca -0.07 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2k5q s HIS 104 Cb -0.04 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.42 2k5q s HIS 104 CO 0.01 -1.61 0.24 1.58 -0.85 0.00 0.00 174.74 174.11