#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 -0.03 0.00 6.12 -4.77 -1.26 -5.04 116.67 111.69 2k5q s ASP 2 Ca 0.00 -0.08 0.25 0.00 -3.30 0.00 0.00 52.55 49.42 2k5q s ASP 2 Cb 0.00 0.24 0.35 0.00 -1.09 0.00 0.00 42.92 42.42 2k5q s ASP 2 CO 0.00 -0.31 1.35 0.00 0.70 0.00 0.00 175.17 176.91 2k5q n LEU 3 N 1.76 2.76 0.01 2.11 -0.00 -1.26 -3.64 117.00 118.74 2k5q n LEU 3 Ca -0.21 -0.93 -0.09 0.00 -0.00 0.00 0.00 56.01 54.79 2k5q n LEU 3 Cb 0.56 -0.01 -0.07 0.00 -0.00 0.00 0.00 43.42 43.91 2k5q n LEU 3 CO 0.21 0.47 0.28 0.78 -0.00 0.00 0.00 177.39 179.12 2k5q h ASN 4 N 4.29 -0.11 0.00 1.45 4.21 -2.08 -3.42 115.58 119.92 2k5q h ASN 4 Ca 0.00 -0.38 -0.46 0.00 1.21 0.00 0.00 56.30 56.66 2k5q h ASN 4 Cb 0.91 0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 38.07 2k5q h ASN 4 CO 0.00 0.52 -2.55 0.54 -1.29 0.00 0.00 177.43 174.65 2k5q n ARG 5 N -4.83 0.60 0.00 0.81 1.74 -1.26 -5.10 116.66 108.61 2k5q n ARG 5 Ca -0.06 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2k5q n ARG 5 Cb 0.24 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2k5q n ARG 5 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2k5q n MET 6 N -4.16 0.00 0.00 5.56 2.81 -1.24 -5.00 117.12 115.09 2k5q n MET 6 Ca -0.54 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 2k5q n MET 6 Cb 0.90 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.41 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 0.94 3.41 3.03 0.00 -1.26 -5.09 105.19 106.22 2k5q n GLY 7 Ca 0.00 0.57 -0.45 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 4.00 0.39 1.61 -0.14 -1.26 -5.03 119.74 119.31 2k5q s LYS 8 Ca 0.00 -2.64 -0.24 0.00 -1.36 0.00 0.00 55.97 51.73 2k5q s LYS 8 Cb 0.00 -4.82 -0.09 0.00 -1.68 0.00 0.00 37.83 31.24 2k5q s LYS 8 CO 0.00 -1.56 1.05 -0.51 -0.76 0.00 0.00 175.35 173.58 2k5q s ASP 9 N 2.42 6.79 -0.08 2.83 1.01 -1.26 -4.89 116.67 123.49 2k5q s ASP 9 Ca 0.35 2.06 0.03 0.00 0.71 0.00 0.00 52.55 55.70 2k5q s ASP 9 Cb -0.06 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2k5q s ASP 9 CO -0.05 -0.47 -0.17 -1.83 0.21 0.00 0.00 175.17 172.87 2k5q s GLU 10 N -2.41 2.24 -0.02 8.23 -1.05 -1.26 -1.80 118.70 122.63 2k5q s GLU 10 Ca 0.57 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2k5q s GLU 10 Cb -0.23 -1.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.64 2k5q s GLU 10 CO 0.29 0.06 0.01 0.71 0.95 0.00 0.00 175.26 177.28 2k5q s TYR 11 N 0.61 3.13 -0.54 4.83 1.51 0.08 -4.90 117.35 122.07 2k5q s TYR 11 Ca -0.15 0.13 -0.16 0.00 -1.01 0.00 0.00 57.07 55.88 2k5q s TYR 11 Cb -0.16 -1.71 0.13 0.00 -0.11 0.00 0.00 41.96 40.10 2k5q s TYR 11 CO 0.05 0.48 0.51 0.71 -1.11 0.00 0.00 175.55 176.18 2k5q s TYR 12 N -1.05 3.24 0.60 2.71 1.51 -1.26 -0.57 117.35 122.53 2k5q s TYR 12 Ca 0.18 -1.25 0.07 0.00 -1.01 0.00 0.00 57.07 55.07 2k5q s TYR 12 Cb -0.12 -3.78 0.11 0.00 -0.11 0.00 0.00 41.96 38.06 2k5q s TYR 12 CO 0.09 -1.02 0.83 1.33 -1.11 0.00 0.00 175.55 175.66 2k5q n VAL 13 N 5.26 0.00 -4.22 0.71 0.24 -0.34 -4.70 118.33 115.29 2k5q n VAL 13 Ca -0.14 -1.82 -0.17 0.00 -2.04 0.00 0.00 64.34 60.17 2k5q n VAL 13 Cb 0.40 -0.61 -0.13 0.00 -1.47 0.00 0.00 33.84 32.04 2k5q n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k5q s GLN 14 N -4.69 0.68 -0.78 7.34 -2.07 -1.26 0.10 119.66 118.98 2k5q s GLN 14 Ca 0.61 -0.60 -0.21 0.00 -1.82 0.00 0.00 55.36 53.34 2k5q s GLN 14 Cb -0.05 -0.60 0.09 0.00 -1.09 0.00 0.00 33.01 31.37 2k5q s GLN 14 CO 0.39 0.14 1.04 0.42 -1.32 0.00 0.00 175.29 175.96 2k5q s ILE 15 N -0.82 4.47 -0.14 3.63 -1.09 -0.08 -4.82 121.20 122.36 2k5q s ILE 15 Ca -0.02 -0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 57.41 2k5q s ILE 15 Cb -0.07 -4.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 2k5q s ILE 15 CO 0.01 -1.49 -0.25 0.35 -1.23 0.00 0.00 174.94 172.32 2k5q n THR 16 N 5.79 1.25 -3.21 2.92 -2.24 -1.26 -1.72 114.28 115.81 2k5q n THR 16 Ca 0.08 0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.69 2k5q n THR 16 Cb 0.47 -2.23 -0.06 0.00 -2.10 0.00 0.00 70.33 66.41 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 -2.46 5.11 0.16 2.28 -7.23 -1.26 -4.90 120.40 112.10 2k5q s VAL 17 Ca -0.21 1.08 0.02 0.00 -1.81 0.00 0.00 61.98 61.05 2k5q s VAL 17 Cb 0.03 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 2k5q s VAL 17 CO 0.31 0.23 0.06 -0.90 -0.31 0.00 0.00 175.10 174.49 2k5q n ASP 18 N 4.29 0.91 0.00 4.85 5.75 -1.26 -4.82 116.55 126.27 2k5q n ASP 18 Ca -0.04 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2k5q n ASP 18 Cb 0.51 0.43 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 2k5q n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k5q n GLY 19 N 0.97 0.35 3.06 6.12 0.00 -1.26 -4.91 105.19 109.51 2k5q n GLY 19 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2k5q n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5q n LYS 20 N -1.54 1.95 -2.20 1.61 4.76 -1.25 -4.91 118.16 116.57 2k5q n LYS 20 Ca 0.00 -2.16 -0.42 0.00 -2.87 0.00 0.00 58.31 52.86 2k5q n LYS 20 Cb 0.17 -3.11 -0.03 0.00 -1.84 0.00 0.00 35.03 30.22 2k5q n LYS 20 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k5q s GLU 21 N 4.60 4.27 -1.26 1.97 2.02 -1.26 -0.30 118.70 128.75 2k5q s GLU 21 Ca 0.55 1.98 -0.09 0.00 0.02 0.00 0.00 54.97 57.44 2k5q s GLU 21 Cb 0.13 -3.60 -0.10 0.00 0.10 0.00 0.00 34.13 30.65 2k5q s GLU 21 CO 0.06 -0.60 2.86 1.33 0.02 0.00 0.00 175.26 178.93 2k5q n VAL 22 N 4.73 3.73 -1.21 2.63 0.24 -0.07 -4.65 118.33 123.73 2k5q n VAL 22 Ca 0.13 -2.19 -0.30 0.00 -2.04 0.00 0.00 64.34 59.95 2k5q n VAL 22 Cb 0.43 -2.43 0.09 0.00 -1.47 0.00 0.00 33.84 30.46 2k5q n VAL 22 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2k5q n HIS 23 N 3.55 2.91 -1.82 6.34 -0.00 -1.26 -4.23 115.22 120.71 2k5q n HIS 23 Ca 0.67 -2.64 -0.30 0.00 -0.00 0.00 0.00 57.72 55.45 2k5q n HIS 23 Cb 0.30 -1.28 -0.07 0.00 -0.00 0.00 0.00 29.99 28.94 2k5q n HIS 23 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2k5q n SER 24 N -0.75 2.74 -1.03 0.26 2.88 -1.26 -4.18 113.62 112.28 2k5q n SER 24 Ca 0.57 -2.67 -0.11 0.00 -1.33 0.00 0.00 58.87 55.32 2k5q n SER 24 Cb 0.82 -1.60 -0.05 0.00 -0.75 0.00 0.00 64.21 62.63 2k5q n SER 24 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k5q n LYS 25 N 8.04 -1.55 -2.71 -1.46 4.81 -1.26 -1.07 118.16 122.97 2k5q n LYS 25 Ca 0.45 0.79 -0.20 0.00 -0.87 0.00 0.00 58.31 58.48 2k5q n LYS 25 Cb 0.45 -5.02 0.01 0.00 0.02 0.00 0.00 35.03 30.50 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5q n ALA 26 N 0.83 -0.76 -1.56 3.14 0.00 -1.26 -4.86 120.51 116.04 2k5q n ALA 26 Ca -0.11 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.36 2k5q n ALA 26 Cb 0.49 -2.99 -0.07 0.00 0.00 0.00 0.00 19.45 16.88 2k5q n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k5q n ASP 27 N -2.03 1.83 0.00 0.00 2.03 -0.23 -2.15 116.55 116.00 2k5q n ASP 27 Ca -0.16 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 53.90 2k5q n ASP 27 Cb 0.64 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2k5q n ASP 27 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k5q n ASN 28 N 17.79 0.00 0.00 1.67 5.15 -1.26 -4.96 115.26 133.65 2k5q n ASN 28 Ca 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 2k5q n ASN 28 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 2k5q n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k5q n GLY 29 N 0.00 4.43 3.78 8.20 0.00 -0.91 -5.11 105.19 115.58 2k5q n GLY 29 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 4.24 -0.92 1.61 2.00 -1.26 -5.02 119.66 120.31 2k5q s GLN 30 Ca 0.00 0.66 -0.24 0.00 -2.00 0.00 0.00 55.36 53.78 2k5q s GLN 30 Cb 0.00 -3.31 0.02 0.00 0.80 0.00 0.00 33.01 30.52 2k5q s GLN 30 CO 0.00 0.46 1.56 0.15 -0.50 0.00 0.00 175.29 176.96 2k5q s LYS 31 N -0.46 3.24 0.45 1.67 1.02 -1.26 -4.67 119.74 119.73 2k5q s LYS 31 Ca 0.29 -0.69 -0.23 0.00 0.02 0.00 0.00 55.97 55.36 2k5q s LYS 31 Cb -0.18 -5.05 -0.08 0.00 -0.52 0.00 0.00 37.83 32.01 2k5q s LYS 31 CO 0.16 -2.49 1.13 0.71 -0.92 0.00 0.00 175.35 173.94 2k5q s TYR 32 N 6.49 2.96 -0.41 3.18 2.02 -1.26 -4.99 117.35 125.33 2k5q s TYR 32 Ca 0.51 1.56 0.06 0.00 -0.37 0.00 0.00 57.07 58.83 2k5q s TYR 32 Cb -0.04 -3.29 0.32 0.00 -0.40 0.00 0.00 41.96 38.55 2k5q s TYR 32 CO -0.02 -1.25 1.21 1.17 -1.57 0.00 0.00 175.55 175.09 2k5q n LYS 33 N -0.48 0.76 -4.30 -0.62 4.81 -1.26 -4.20 118.16 112.86 2k5q n LYS 33 Ca 0.07 -1.54 -0.30 0.00 -0.87 0.00 0.00 58.31 55.66 2k5q n LYS 33 Cb 0.49 -0.71 -0.10 0.00 0.02 0.00 0.00 35.03 34.73 2k5q n LYS 33 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k5q s ASP 34 N -0.93 4.47 -0.49 3.14 1.11 -1.26 -4.86 116.67 117.85 2k5q s ASP 34 Ca 0.21 -0.32 -0.25 0.00 0.18 0.00 0.00 52.55 52.37 2k5q s ASP 34 Cb 0.29 -0.91 0.03 0.00 1.07 0.00 0.00 42.92 43.40 2k5q s ASP 34 CO -0.10 0.21 0.95 -0.31 1.18 0.00 0.00 175.17 177.10 2k5q s TYR 35 N -1.16 2.87 0.30 4.23 1.51 0.29 -0.89 117.35 124.50 2k5q s TYR 35 Ca 0.20 0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 56.45 2k5q s TYR 35 Cb -0.11 -4.04 -0.08 0.00 -0.11 0.00 0.00 41.96 37.62 2k5q s TYR 35 CO 0.12 -1.18 0.66 -2.00 -1.11 0.00 0.00 175.55 172.04 2k5q s GLU 36 N 3.88 3.89 -0.18 -0.62 2.12 0.59 -0.51 118.70 127.87 2k5q s GLU 36 Ca 0.36 0.48 -0.01 0.00 0.36 0.00 0.00 54.97 56.17 2k5q s GLU 36 Cb -0.10 -2.51 0.05 0.00 0.26 0.00 0.00 34.13 31.82 2k5q s GLU 36 CO 0.25 0.20 -0.04 0.71 -0.54 0.00 0.00 175.26 175.84 2k5q s TYR 37 N -1.97 1.70 -0.66 5.30 2.02 0.32 -3.96 117.35 120.11 2k5q s TYR 37 Ca 0.51 -1.15 -0.18 0.00 -0.37 0.00 0.00 57.07 55.88 2k5q s TYR 37 Cb -0.11 -1.31 0.12 0.00 -0.40 0.00 0.00 41.96 40.27 2k5q s TYR 37 CO 0.21 -0.64 0.74 0.15 -1.57 0.00 0.00 175.55 174.44 2k5q s LYS 38 N 1.63 3.17 0.07 -0.62 3.01 -1.26 -2.35 119.74 123.39 2k5q s LYS 38 Ca -0.01 -1.55 0.05 0.00 -1.01 0.00 0.00 55.97 53.46 2k5q s LYS 38 Cb -0.16 -4.36 -0.04 0.00 -1.01 0.00 0.00 37.83 32.26 2k5q s LYS 38 CO -0.07 -1.52 -0.08 -0.51 0.51 0.00 0.00 175.35 173.68 2k5q s LEU 39 N 2.28 3.12 -0.25 3.17 1.43 0.43 -5.00 118.68 123.86 2k5q s LEU 39 Ca 0.14 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2k5q s LEU 39 Cb -0.21 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2k5q s LEU 39 CO 0.02 0.22 0.13 -0.89 0.23 0.00 0.00 176.35 176.06 2k5q s THR 40 N -1.14 4.93 0.02 5.49 2.01 -1.26 -0.74 115.64 124.94 2k5q s THR 40 Ca 0.20 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2k5q s THR 40 Cb -0.11 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2k5q s THR 40 CO 0.12 0.32 0.09 -0.83 -0.69 0.00 0.00 174.62 173.63 2k5q s GLY 41 N 1.40 2.03 -0.18 4.40 0.00 -0.01 -4.76 107.32 110.20 2k5q s GLY 41 Ca 0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 2k5q s GLY 41 CO 0.06 -0.80 -0.06 -1.36 0.00 0.00 0.00 173.10 170.93 2k5q s PHE 42 N -1.26 2.93 0.66 1.90 0.08 -1.26 -0.24 117.98 120.79 2k5q s PHE 42 Ca 0.25 -0.74 -0.15 0.00 0.12 0.00 0.00 56.93 56.41 2k5q s PHE 42 Cb -0.12 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.32 2k5q s PHE 42 CO 0.17 -0.36 1.11 0.34 -0.10 0.00 0.00 175.22 176.38 2k5q s ASP 43 N 0.97 5.12 0.25 1.36 2.15 0.55 -4.69 116.67 122.38 2k5q s ASP 43 Ca -0.00 2.01 0.19 0.00 0.43 0.00 0.00 52.55 55.17 2k5q s ASP 43 Cb -0.15 -2.55 0.95 0.00 -0.30 0.00 0.00 42.92 40.88 2k5q s ASP 43 CO 0.00 -1.62 1.58 0.29 -0.17 0.00 0.00 175.17 175.25 2k5q n LYS 44 N -2.39 0.13 -0.00 4.34 5.02 -1.26 -0.59 118.16 123.41 2k5q n LYS 44 Ca 0.10 0.55 0.09 0.00 -2.02 0.00 0.00 58.31 57.04 2k5q n LYS 44 Cb 0.52 -1.86 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 2k5q n LYS 44 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k5q n ASP 45 N -2.12 0.85 0.00 4.39 2.03 -1.26 -5.00 116.55 115.44 2k5q n ASP 45 Ca -0.00 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.47 2k5q n ASP 45 Cb 0.08 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 2k5q n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5q n GLY 46 N 1.44 0.79 3.60 0.27 0.00 0.24 -5.15 105.19 106.38 2k5q n GLY 46 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 0.42 1.92 -0.03 1.61 1.02 -1.25 -4.88 119.74 118.56 2k5q s LYS 47 Ca 0.00 -2.03 -0.03 0.00 0.02 0.00 0.00 55.97 53.93 2k5q s LYS 47 Cb 0.00 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 2k5q s LYS 47 CO 0.00 0.02 0.16 -1.21 -0.92 0.00 0.00 175.35 173.41 2k5q s GLU 48 N -3.68 3.39 0.00 1.68 2.02 -1.26 -0.33 118.70 120.52 2k5q s GLU 48 Ca 0.34 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.02 2k5q s GLU 48 Cb 0.07 -3.08 -0.00 0.00 0.10 0.00 0.00 34.13 31.21 2k5q s GLU 48 CO 0.18 0.69 -0.01 0.21 0.02 0.00 0.00 175.26 176.34 2k5q s LYS 49 N -1.77 0.09 -0.33 1.61 2.47 0.66 -4.89 119.74 117.59 2k5q s LYS 49 Ca 0.25 -0.11 -0.20 0.00 -1.56 0.00 0.00 55.97 54.34 2k5q s LYS 49 Cb -0.12 -0.03 -0.00 0.00 -1.46 0.00 0.00 37.83 36.21 2k5q s LYS 49 CO 0.16 0.01 0.64 -2.00 0.16 0.00 0.00 175.35 174.31 2k5q s GLU 50 N -0.24 3.81 -0.04 4.03 2.12 -1.26 -0.83 118.70 126.29 2k5q s GLU 50 Ca -0.02 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.53 2k5q s GLU 50 Cb -0.02 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 2k5q s GLU 50 CO -0.00 -0.65 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.50 2k5q s LEU 51 N 2.67 3.22 -0.26 2.70 2.01 0.08 -3.90 118.68 125.20 2k5q s LEU 51 Ca 0.25 -0.06 -0.24 0.00 0.01 0.00 0.00 54.13 54.09 2k5q s LEU 51 Cb -0.15 -1.77 0.07 0.00 0.01 0.00 0.00 46.19 44.35 2k5q s LEU 51 CO 0.13 0.33 0.70 -1.83 1.01 0.00 0.00 176.35 176.69 2k5q s GLU 52 N -1.10 0.82 0.04 1.70 4.04 -1.26 -0.43 118.70 122.51 2k5q s GLU 52 Ca 0.15 0.97 -0.27 0.00 0.04 0.00 0.00 54.97 55.85 2k5q s GLU 52 Cb -0.11 0.40 0.08 0.00 0.02 0.00 0.00 34.13 34.52 2k5q s GLU 52 CO 0.04 -0.10 0.69 -0.59 -1.84 0.00 0.00 175.26 173.46 2k5q s PHE 53 N 0.36 -0.56 -0.25 4.83 -0.71 -0.99 -4.60 117.98 116.07 2k5q s PHE 53 Ca -0.00 0.66 -0.08 0.00 -1.04 0.00 0.00 56.93 56.47 2k5q s PHE 53 Cb -0.05 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 2k5q s PHE 53 CO 0.01 -0.69 0.09 0.95 -1.34 0.00 0.00 175.22 174.24 2k5q s THR 54 N -2.47 4.57 0.09 -4.49 -4.23 -1.26 -0.52 115.64 107.31 2k5q s THR 54 Ca -0.04 -0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2k5q s THR 54 Cb -0.01 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 2k5q s THR 54 CO -0.02 0.34 -0.08 0.00 -0.54 0.00 0.00 174.62 174.32 2k5q s ALA 55 N 1.47 3.02 -0.60 3.99 0.00 0.33 -4.93 121.76 125.04 2k5q s ALA 55 Ca 0.06 -1.19 0.25 0.00 0.00 0.00 0.00 51.96 51.08 2k5q s ALA 55 Cb -0.15 -0.98 0.91 0.00 0.00 0.00 0.00 23.12 22.90 2k5q s ALA 55 CO 0.05 0.65 1.74 0.94 0.00 0.00 0.00 175.76 179.14 2k5q n GLN 56 N 0.80 0.22 -3.79 0.00 7.27 -1.26 0.10 117.38 120.72 2k5q n GLN 56 Ca -0.13 0.32 -0.12 0.00 0.07 0.00 0.00 57.00 57.14 2k5q n GLN 56 Cb 0.52 -1.83 -0.08 0.00 2.41 0.00 0.00 30.24 31.25 2k5q n GLN 56 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2k5q s LYS 57 N -3.22 0.69 0.50 3.69 2.20 -1.26 -4.59 119.74 117.76 2k5q s LYS 57 Ca 0.07 -0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.05 2k5q s LYS 57 Cb 0.11 0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 36.66 2k5q s LYS 57 CO 0.48 -0.20 1.41 -0.80 -0.36 0.00 0.00 175.35 175.88 2k5q s ASN 58 N -1.70 5.53 0.00 1.43 0.01 -1.26 -4.85 114.94 114.10 2k5q s ASN 58 Ca -0.10 2.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 2k5q s ASN 58 Cb -0.03 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2k5q s ASN 58 CO 0.00 -1.40 0.00 0.18 -1.51 0.00 0.00 177.10 174.37 2k5q n LEU 59 N -0.63 0.67 -3.71 0.60 4.77 -1.26 -5.10 117.00 112.34 2k5q n LEU 59 Ca 0.08 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2k5q n LEU 59 Cb 0.43 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2k5q n LEU 59 CO 0.56 -0.34 0.80 -0.60 -1.33 0.00 0.00 177.39 176.48 2k5q s ARG 60 N -0.69 0.98 -0.11 3.23 3.52 -1.26 -5.14 118.95 119.49 2k5q s ARG 60 Ca 0.00 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.95 2k5q s ARG 60 Cb 0.00 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.69 2k5q s ARG 60 CO 0.00 -0.45 0.26 0.15 -0.81 0.00 0.00 175.30 174.45 2k5q s LYS 61 N -3.07 3.88 0.00 5.12 -0.14 -1.26 -4.60 119.74 119.66 2k5q s LYS 61 Ca 0.12 0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.81 2k5q s LYS 61 Cb 0.00 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 2k5q s LYS 61 CO 0.00 0.55 0.00 -1.91 -0.76 0.00 0.00 175.35 173.23 2k5q n GLU 62 N 2.54 0.00 -1.16 1.68 2.13 -0.70 -4.95 120.64 120.19 2k5q n GLU 62 Ca -0.16 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.36 2k5q n GLU 62 Cb 0.53 -1.84 0.13 0.00 0.27 0.00 0.00 31.44 30.53 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 -0.54 1.67 0.33 4.31 0.00 -1.26 -4.59 121.76 121.68 2k5q s ALA 63 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.10 2k5q s ALA 63 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2k5q s ALA 63 CO 0.00 -2.27 0.47 -0.06 0.00 0.00 0.00 175.76 173.90 2k5q s PHE 64 N -2.89 3.15 -0.07 0.00 0.40 -1.07 -0.90 117.98 116.61 2k5q s PHE 64 Ca 0.63 -0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 2k5q s PHE 64 Cb -0.18 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.42 2k5q s PHE 64 CO 0.57 0.02 0.10 -1.17 0.70 0.00 0.00 175.22 175.43 2k5q s LEU 65 N -4.17 0.09 -0.83 -0.37 0.20 0.12 -0.83 118.68 112.88 2k5q s LEU 65 Ca 0.44 0.09 -0.24 0.00 0.69 0.00 0.00 54.13 55.11 2k5q s LEU 65 Cb -0.09 -0.02 0.06 0.00 -0.43 0.00 0.00 46.19 45.70 2k5q s LEU 65 CO 0.31 -0.26 1.25 -0.60 -0.29 0.00 0.00 176.35 176.76 2k5q s ARG 66 N 2.21 3.35 0.01 1.98 3.52 0.16 -1.20 118.95 128.98 2k5q s ARG 66 Ca 0.04 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 2k5q s ARG 66 Cb -0.12 -4.64 -0.05 0.00 -1.56 0.00 0.00 34.95 28.57 2k5q s ARG 66 CO -0.05 -2.06 0.33 0.14 -0.81 0.00 0.00 175.30 172.86 2k5q s VAL 67 N 4.80 5.19 -0.33 7.11 -7.23 0.27 -1.02 120.40 129.19 2k5q s VAL 67 Ca 0.36 0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 60.86 2k5q s VAL 67 Cb -0.07 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 2k5q s VAL 67 CO 0.03 0.44 0.21 -0.47 -0.31 0.00 0.00 175.10 175.00 2k5q s TYR 68 N -1.23 3.21 -0.55 2.82 5.04 0.17 -0.74 117.35 126.08 2k5q s TYR 68 Ca 0.26 -0.38 -0.26 0.00 -2.44 0.00 0.00 57.07 54.25 2k5q s TYR 68 Cb -0.14 -2.43 0.04 0.00 0.35 0.00 0.00 41.96 39.77 2k5q s TYR 68 CO 0.14 -0.41 1.03 -1.58 -1.34 0.00 0.00 175.55 173.39 2k5q s HIS 69 N 1.67 2.75 0.00 4.97 5.65 -0.75 -2.55 115.29 127.04 2k5q s HIS 69 Ca 0.05 0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.57 2k5q s HIS 69 Cb -0.17 -4.22 0.00 0.00 -1.18 0.00 0.00 32.58 27.01 2k5q s HIS 69 CO 0.09 -1.39 0.00 -1.13 -0.65 0.00 0.00 174.74 171.65 2k5q n SER 70 N 7.76 0.00 0.02 9.88 3.41 -1.26 -4.30 113.62 129.13 2k5q n SER 70 Ca 0.05 -0.71 0.13 0.00 -0.26 0.00 0.00 58.87 58.08 2k5q n SER 70 Cb 0.48 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.98 2k5q n SER 70 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k5q n ASP 71 N -2.12 0.17 -1.96 4.04 5.75 -1.26 -3.84 116.55 117.34 2k5q n ASP 71 Ca 0.00 0.52 -0.03 0.00 -0.01 0.00 0.00 54.79 55.27 2k5q n ASP 71 Cb 0.00 -0.56 0.33 0.00 -1.03 0.00 0.00 41.12 39.86 2k5q n ASP 71 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2k5q n LYS 72 N -1.66 3.98 -1.44 0.11 5.02 -1.26 -5.05 118.16 117.86 2k5q n LYS 72 Ca 0.06 -3.11 0.19 0.00 -2.02 0.00 0.00 58.31 53.43 2k5q n LYS 72 Cb 0.34 -2.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.06 2k5q n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k5q n LYS 73 N 0.00 -3.03 0.00 1.97 4.01 -1.25 -4.75 118.16 115.11 2k5q n LYS 73 Ca 0.38 2.17 0.00 0.00 -0.51 0.00 0.00 58.31 60.35 2k5q n LYS 73 Cb 1.34 -3.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.21 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k5q n GLY 74 N -4.27 0.24 0.00 0.72 0.00 -1.25 -4.69 105.19 95.94 2k5q n GLY 74 Ca -0.02 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2k5q n GLY 74 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k5q n VAL 75 N 0.00 0.00 0.10 1.61 3.14 -1.26 -4.58 118.33 117.35 2k5q n VAL 75 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k5q n VAL 75 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2k5q n VAL 75 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k5q n SER 76 N 0.00 -0.05 -4.89 6.55 7.64 -1.06 -4.84 113.62 116.98 2k5q n SER 76 Ca 0.00 0.35 -0.31 0.00 1.01 0.00 0.00 58.87 59.93 2k5q n SER 76 Cb 0.00 0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.00 3.91 -0.08 -0.43 0.00 -1.26 -5.00 121.76 116.90 2k5q s ALA 77 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 2k5q s ALA 77 Cb 0.00 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.42 2k5q s ALA 77 CO 0.00 0.79 0.42 1.67 0.00 0.00 0.00 175.76 178.65 2k5q s TRP 78 N -1.50 -0.38 -0.05 0.00 1.48 -1.26 -0.66 118.94 116.57 2k5q s TRP 78 Ca 0.34 0.78 0.02 0.00 -1.06 0.00 0.00 56.10 56.17 2k5q s TRP 78 Cb -0.13 0.18 0.02 0.00 -1.16 0.00 0.00 33.47 32.37 2k5q s TRP 78 CO 0.27 -0.36 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.50 2k5q s GLU 79 N -0.68 1.29 -0.31 3.25 2.02 -0.19 -5.00 118.70 119.09 2k5q s GLU 79 Ca -0.08 -0.28 -0.26 0.00 0.02 0.00 0.00 54.97 54.37 2k5q s GLU 79 Cb -0.04 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 33.07 2k5q s GLU 79 CO 0.04 -0.01 0.91 -2.00 0.02 0.00 0.00 175.26 174.22 2k5q s GLU 80 N 0.72 3.99 0.07 1.61 -6.30 -1.26 0.36 118.70 117.90 2k5q s GLU 80 Ca -0.13 0.78 0.07 0.00 -2.50 0.00 0.00 54.97 53.19 2k5q s GLU 80 Cb -0.15 -3.74 -0.04 0.00 0.00 0.00 0.00 34.13 30.21 2k5q s GLU 80 CO 0.02 -0.78 -0.15 0.14 0.02 0.00 0.00 175.26 174.51 2k5q s VAL 81 N 3.26 3.04 0.26 3.70 -7.23 -0.01 -4.94 120.40 118.47 2k5q s VAL 81 Ca 0.38 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 2k5q s VAL 81 Cb -0.13 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 2k5q s VAL 81 CO 0.14 0.24 0.99 -0.54 -0.31 0.00 0.00 175.10 175.61 2k5q s LYS 82 N -1.78 4.78 0.47 4.82 -0.14 -1.26 -2.59 119.74 124.04 2k5q s LYS 82 Ca 0.17 1.57 0.32 0.00 -1.36 0.00 0.00 55.97 56.68 2k5q s LYS 82 Cb -0.11 -3.23 1.61 0.00 -1.68 0.00 0.00 37.83 34.43 2k5q s LYS 82 CO 0.09 0.41 1.97 1.57 -0.76 0.00 0.00 175.35 178.63 2k5q h LYS 83 N 4.00 0.00 0.00 1.68 -0.00 -1.93 -2.87 116.57 117.44 2k5q h LYS 83 Ca -0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.16 2k5q h LYS 83 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.43 2k5q h LYS 83 CO 0.67 0.00 -0.18 -0.44 -0.00 0.00 0.00 179.45 179.51 2k5q h ASP 84 N 0.00 0.00 0.39 7.07 5.19 -2.03 -2.65 116.42 124.39 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 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2k5q h ASP 84 CO 0.00 0.18 -0.22 -0.62 -3.12 0.00 0.00 179.24 175.45 2k5q n GLU 85 N -4.04 0.57 -3.17 3.56 -0.58 -1.08 -4.82 120.64 111.06 2k5q n GLU 85 Ca -0.02 -0.27 -0.40 0.00 -0.42 0.00 0.00 57.16 56.06 2k5q n GLU 85 Cb 0.26 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 2k5q n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k5q s LEU 86 N -2.62 4.13 0.90 -4.62 1.43 -1.00 -5.07 118.68 111.82 2k5q s LEU 86 Ca 0.23 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 2k5q s LEU 86 Cb 0.19 -2.80 0.13 0.00 0.03 0.00 0.00 46.19 43.74 2k5q s LEU 86 CO 0.53 -0.25 1.10 -2.16 0.23 0.00 0.00 176.35 175.80 2k5q s PRO 87 N 1.90 1.25 0.37 1.29 0.04 -1.26 -4.56 135.00 134.03 2k5q s PRO 87 Ca 0.26 0.70 0.13 0.00 0.04 0.00 0.00 61.00 62.14 2k5q s PRO 87 Cb -0.16 -1.82 0.96 0.00 0.04 0.00 0.00 34.50 33.52 2k5q s PRO 87 CO 0.10 -2.22 1.81 0.00 0.04 0.00 0.00 177.00 176.73 2k5q h ALA 88 N -1.53 2.01 -0.61 8.56 0.00 -1.97 0.10 119.26 125.82 2k5q h ALA 88 Ca -0.50 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.53 2k5q h ALA 88 Cb 1.29 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2k5q h ALA 88 CO 0.56 -0.35 0.30 0.87 0.00 0.00 0.00 179.25 180.62 2k5q h LYS 89 N 0.54 0.53 0.09 0.00 6.56 -1.96 -1.88 116.57 120.45 2k5q h LYS 89 Ca 0.54 -0.03 -0.28 0.00 -1.06 0.00 0.00 60.65 59.81 2k5q h LYS 89 Cb 1.14 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.67 2k5q h LYS 89 CO -0.28 0.35 -1.51 0.28 -2.06 0.00 0.00 179.45 176.23 2k5q h VAL 90 N 0.54 0.91 0.91 0.50 2.07 -1.44 -0.23 116.25 119.52 2k5q h VAL 90 Ca 0.29 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 2k5q h VAL 90 Cb 0.25 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2k5q h VAL 90 CO -0.22 0.66 -0.44 0.50 0.02 0.00 0.00 177.57 178.09 2k5q h LYS 91 N -0.38 -1.18 0.00 1.57 3.64 -0.88 -3.17 116.57 116.17 2k5q h LYS 91 Ca -0.34 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2k5q h LYS 91 Cb 1.72 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 2k5q h LYS 91 CO 0.00 -0.79 -0.13 0.93 -2.27 0.00 0.00 179.45 177.20 2k5q h GLU 92 N -1.23 0.00 -0.02 1.90 5.08 -1.56 -3.41 114.58 115.34 2k5q h GLU 92 Ca -0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2k5q h GLU 92 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k5q h GLU 92 CO 0.20 0.00 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.87 2k5q h LYS 93 N -0.64 0.12 -3.34 2.33 1.63 -1.64 -3.50 116.57 111.52 2k5q h LYS 93 Ca 0.00 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2k5q h LYS 93 Cb 0.13 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2k5q h LYS 93 CO 0.00 0.79 -0.61 -0.11 -3.45 0.00 0.00 179.45 176.07 2k5q n LEU 94 N -4.63 -4.71 0.00 5.20 0.00 -0.10 -4.93 117.00 107.83 2k5q n LEU 94 Ca -0.09 1.97 0.00 0.00 0.00 0.00 0.00 56.01 57.89 2k5q n LEU 94 Cb 0.41 -2.38 0.00 0.00 0.00 0.00 0.00 43.42 41.45 2k5q n LEU 94 CO 0.37 -1.38 0.00 0.61 0.00 0.00 0.00 177.39 176.98 2k5q n GLY 95 N 1.18 1.76 3.52 -3.96 0.00 -1.26 -5.03 105.19 101.40 2k5q n GLY 95 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.14 0.03 1.61 1.01 -1.26 -5.05 120.40 117.88 2k5q s VAL 96 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 2k5q s VAL 96 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 2k5q s VAL 96 CO 0.00 0.33 1.38 -0.75 0.00 0.00 0.00 175.10 176.06 2k5q s LYS 97 N -1.51 4.31 -1.21 2.72 2.20 -1.26 -4.82 119.74 120.16 2k5q s LYS 97 Ca 0.16 1.97 -0.19 0.00 -0.36 0.00 0.00 55.97 57.55 2k5q s LYS 97 Cb -0.11 -3.47 0.08 0.00 -1.51 0.00 0.00 37.83 32.82 2k5q s LYS 97 CO 0.07 -0.51 1.62 -0.51 -0.36 0.00 0.00 175.35 175.66 2k5q s LEU 98 N 1.96 3.91 -0.01 5.43 1.02 -1.26 -4.82 118.68 124.92 2k5q s LEU 98 Ca 0.63 -2.25 0.01 0.00 0.02 0.00 0.00 54.13 52.55 2k5q s LEU 98 Cb -0.32 -2.55 0.05 0.00 0.02 0.00 0.00 46.19 43.38 2k5q s LEU 98 CO 0.28 -1.21 0.82 -1.84 0.02 0.00 0.00 176.35 174.42 2k5q n GLU 99 N 8.20 1.20 -2.24 1.70 0.28 -1.26 -4.73 120.64 123.79 2k5q n GLU 99 Ca 0.43 -0.21 -0.33 0.00 -0.16 0.00 0.00 57.16 56.89 2k5q n GLU 99 Cb 0.47 -1.29 -0.04 0.00 1.43 0.00 0.00 31.44 32.01 2k5q n GLU 99 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k5q s HIS 100 N -1.54 2.21 -0.63 -1.84 2.46 -1.26 -4.74 115.29 109.95 2k5q s HIS 100 Ca 0.04 -0.20 0.02 0.00 0.47 0.00 0.00 55.06 55.38 2k5q s HIS 100 Cb 0.02 -4.26 0.39 0.00 -0.13 0.00 0.00 32.58 28.60 2k5q s HIS 100 CO 0.02 -1.47 1.57 1.58 -2.47 0.00 0.00 174.74 173.97 2k5q n HIS 101 N 12.30 3.19 0.00 3.88 -0.00 -1.26 -4.96 115.22 128.37 2k5q n HIS 101 Ca 0.45 -2.72 0.00 0.00 -0.00 0.00 0.00 57.72 55.45 2k5q n HIS 101 Cb 0.47 -0.65 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 2k5q n HIS 101 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5q n HIS 102 N -0.53 0.00 -3.40 1.57 8.25 -1.26 -4.75 115.22 115.10 2k5q n HIS 102 Ca 0.47 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.80 2k5q n HIS 102 Cb 0.47 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.59 2k5q n HIS 102 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5q n HIS 103 N 0.00 -2.51 -0.09 4.41 -0.00 -1.26 -4.92 115.22 110.85 2k5q n HIS 103 Ca 0.00 0.94 -0.12 0.00 -0.00 0.00 0.00 57.72 58.54 2k5q n HIS 103 Cb 0.00 -3.58 -0.04 0.00 -0.00 0.00 0.00 29.99 26.37 2k5q n HIS 103 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2k5q h HIS 104 N -0.16 0.54 0.00 1.57 2.76 -2.04 -3.54 115.15 114.29 2k5q h HIS 104 Ca -0.32 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2k5q h HIS 104 Cb 1.19 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2k5q h HIS 104 CO 0.23 0.70 0.00 0.72 -1.30 0.00 0.00 177.93 178.28