#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5q n ASP 2 N 0.00 5.24 0.33 3.17 8.00 -1.26 -4.82 116.55 127.22 2k5q n ASP 2 Ca 0.00 -3.05 0.18 0.00 0.71 0.00 0.00 54.79 52.63 2k5q n ASP 2 Cb 0.00 -1.52 0.97 0.00 -0.02 0.00 0.00 41.12 40.55 2k5q n ASP 2 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k5q h LEU 3 N 8.73 0.00 -1.90 0.64 -0.00 -2.03 -1.02 115.31 119.72 2k5q h LEU 3 Ca 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.19 2k5q h LEU 3 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2k5q h LEU 3 CO 1.37 0.00 -0.11 0.78 -0.00 0.00 0.00 178.44 180.48 2k5q h ASN 4 N 0.00 0.00 0.00 0.17 2.35 -2.01 -2.93 115.58 113.16 2k5q h ASN 4 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k5q h ASN 4 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2k5q h ASN 4 CO 0.00 0.11 0.00 -2.11 -1.65 0.00 0.00 177.43 173.78 2k5q n ARG 5 N -4.13 2.24 -4.87 0.81 1.85 -0.44 -4.99 116.66 107.14 2k5q n ARG 5 Ca -0.02 -1.27 -0.27 0.00 -1.00 0.00 0.00 57.85 55.28 2k5q n ARG 5 Cb 0.19 -0.93 -0.16 0.00 -1.05 0.00 0.00 32.46 30.50 2k5q n ARG 5 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2k5q s MET 6 N -0.78 2.09 -0.34 2.89 -1.94 -0.91 -4.73 119.30 115.58 2k5q s MET 6 Ca 0.00 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 53.34 2k5q s MET 6 Cb 0.00 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 35.13 2k5q s MET 6 CO 0.00 0.17 0.14 0.41 -0.01 0.00 0.00 175.02 175.73 2k5q n GLY 7 N 3.43 0.42 3.93 -0.03 0.00 -1.26 -4.65 105.19 107.03 2k5q n GLY 7 Ca -0.20 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.79 3.44 -0.36 1.61 -0.14 -1.26 -5.06 119.74 113.18 2k5q s LYS 8 Ca 0.07 -0.47 -0.29 0.00 -1.36 0.00 0.00 55.97 53.92 2k5q s LYS 8 Cb -0.03 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 2k5q s LYS 8 CO 0.08 0.59 1.37 -0.51 -0.76 0.00 0.00 175.35 176.12 2k5q s ASP 9 N -2.68 6.48 -0.24 2.83 1.11 -1.26 -5.00 116.67 117.91 2k5q s ASP 9 Ca 0.35 1.02 -0.07 0.00 0.18 0.00 0.00 52.55 54.03 2k5q s ASP 9 Cb -0.13 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 2k5q s ASP 9 CO 0.28 -1.27 0.06 -1.83 1.18 0.00 0.00 175.17 173.58 2k5q s GLU 10 N 4.60 3.65 -0.08 8.23 -1.05 -1.26 -0.82 118.70 131.96 2k5q s GLU 10 Ca 0.59 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 54.96 2k5q s GLU 10 Cb -0.15 -3.28 -0.01 0.00 -0.44 0.00 0.00 34.13 30.24 2k5q s GLU 10 CO 0.28 -0.16 -0.19 0.71 0.95 0.00 0.00 175.26 176.86 2k5q s TYR 11 N 1.51 2.62 -0.58 4.83 1.51 -1.04 -4.96 117.35 121.24 2k5q s TYR 11 Ca 0.06 -0.59 -0.19 0.00 -1.01 0.00 0.00 57.07 55.35 2k5q s TYR 11 Cb -0.15 -1.69 0.10 0.00 -0.11 0.00 0.00 41.96 40.12 2k5q s TYR 11 CO 0.03 -0.13 0.68 0.71 -1.11 0.00 0.00 175.55 175.73 2k5q s TYR 12 N -0.12 3.02 -0.00 2.71 2.02 -1.26 -0.73 117.35 122.99 2k5q s TYR 12 Ca -0.03 -0.96 0.08 0.00 -0.37 0.00 0.00 57.07 55.79 2k5q s TYR 12 Cb -0.14 -3.96 -0.02 0.00 -0.40 0.00 0.00 41.96 37.44 2k5q s TYR 12 CO 0.04 -1.25 -0.26 0.14 -1.57 0.00 0.00 175.55 172.65 2k5q s VAL 13 N 2.59 2.03 0.01 0.71 -7.23 -0.68 -4.84 120.40 112.99 2k5q s VAL 13 Ca 0.11 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.95 2k5q s VAL 13 Cb -0.24 -1.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 2k5q s VAL 13 CO 0.06 0.51 0.45 0.00 -0.31 0.00 0.00 175.10 175.82 2k5q s GLN 14 N -0.77 4.02 0.06 4.82 -2.07 -1.26 -0.35 119.66 124.11 2k5q s GLN 14 Ca 0.10 0.50 -0.31 0.00 -1.82 0.00 0.00 55.36 53.83 2k5q s GLN 14 Cb -0.10 -3.24 -0.08 0.00 -1.09 0.00 0.00 33.01 28.50 2k5q s GLN 14 CO -0.00 0.64 1.59 0.42 -1.32 0.00 0.00 175.29 176.62 2k5q s ILE 15 N -0.95 3.18 0.00 3.63 -1.09 -1.06 -4.88 121.20 120.03 2k5q s ILE 15 Ca 0.25 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 2k5q s ILE 15 Cb -0.17 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2k5q s ILE 15 CO 0.15 -0.00 0.00 0.35 -1.23 0.00 0.00 174.94 174.20 2k5q n THR 16 N 4.69 0.00 -4.50 2.92 -2.24 -1.26 -2.33 114.28 111.56 2k5q n THR 16 Ca 0.15 0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 62.08 2k5q n THR 16 Cb 0.41 -1.35 -0.13 0.00 -2.10 0.00 0.00 70.33 67.16 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 -0.88 2.30 0.33 2.28 -7.23 -1.26 -4.82 120.40 111.12 2k5q s VAL 17 Ca 0.00 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2k5q s VAL 17 Cb 0.00 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2k5q s VAL 17 CO 0.00 0.16 0.09 1.51 -0.31 0.00 0.00 175.10 176.55 2k5q s ASP 18 N -1.88 2.20 0.00 4.85 -4.77 -1.26 -4.73 116.67 111.09 2k5q s ASP 18 Ca 0.14 -1.47 0.00 0.00 -3.30 0.00 0.00 52.55 47.92 2k5q s ASP 18 Cb -0.10 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.87 2k5q s ASP 18 CO 0.05 -0.73 0.00 0.61 0.70 0.00 0.00 175.17 175.80 2k5q n GLY 19 N -0.70 0.37 3.48 2.12 0.00 -1.26 -4.95 105.19 104.24 2k5q n GLY 19 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2k5q n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5q s LYS 20 N -0.73 3.55 0.26 1.61 2.20 -1.26 -4.98 119.74 120.38 2k5q s LYS 20 Ca 0.00 -1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 53.80 2k5q s LYS 20 Cb 0.00 -4.95 -0.09 0.00 -1.51 0.00 0.00 37.83 31.28 2k5q s LYS 20 CO 0.00 -1.88 1.16 -1.83 -0.36 0.00 0.00 175.35 172.44 2k5q s GLU 21 N 3.37 4.56 -1.55 4.03 -1.05 -1.26 -0.08 118.70 126.71 2k5q s GLU 21 Ca 0.35 1.89 -0.12 0.00 -0.15 0.00 0.00 54.97 56.94 2k5q s GLU 21 Cb -0.05 -3.18 -0.03 0.00 -0.44 0.00 0.00 34.13 30.43 2k5q s GLU 21 CO -0.08 0.07 2.65 1.33 0.95 0.00 0.00 175.26 180.18 2k5q n VAL 22 N 1.46 3.99 -0.24 1.83 0.24 0.53 -4.76 118.33 121.37 2k5q n VAL 22 Ca 0.00 -2.81 0.00 0.00 -2.04 0.00 0.00 64.34 59.50 2k5q n VAL 22 Cb 0.44 -2.60 0.00 0.00 -1.47 0.00 0.00 33.84 30.21 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 4.58 0.00 0.06 6.34 -0.00 -1.24 -4.46 115.22 120.49 2k5q n HIS 23 Ca 0.67 -0.88 -0.11 0.00 -0.00 0.00 0.00 57.72 57.40 2k5q n HIS 23 Cb 0.30 -0.45 -0.04 0.00 -0.00 0.00 0.00 29.99 29.79 2k5q n HIS 23 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2k5q h SER 24 N 0.95 -0.61 -0.76 0.26 0.87 -1.86 -3.42 113.55 108.98 2k5q h SER 24 Ca 0.00 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2k5q h SER 24 Cb 0.96 0.25 -0.19 0.00 -0.44 0.00 0.00 62.40 62.98 2k5q h SER 24 CO 0.00 -0.28 -0.31 -1.59 -0.53 0.00 0.00 176.83 174.12 2k5q s LYS 25 N -6.10 0.54 0.00 2.24 -2.85 -1.26 -4.97 119.74 107.34 2k5q s LYS 25 Ca -0.15 0.04 0.08 0.00 -1.00 0.00 0.00 55.97 54.95 2k5q s LYS 25 Cb 0.09 0.12 0.36 0.00 -2.06 0.00 0.00 37.83 36.34 2k5q s LYS 25 CO 0.66 -0.86 1.26 0.00 0.10 0.00 0.00 175.35 176.51 2k5q n ALA 26 N 4.63 2.51 -1.51 0.59 0.00 -1.26 -4.84 120.51 120.63 2k5q n ALA 26 Ca 0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 2k5q n ALA 26 Cb 0.57 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 2k5q n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k5q n ASP 27 N -0.22 0.94 0.00 0.00 9.92 -1.26 -2.47 116.55 123.46 2k5q n ASP 27 Ca 0.07 -1.71 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 2k5q n ASP 27 Cb 0.12 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.13 2k5q n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2k5q n ASN 28 N 16.45 0.00 0.00 -2.24 5.15 -1.26 -5.04 115.26 128.32 2k5q n ASN 28 Ca 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 2k5q n ASN 28 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 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 2.88 3.91 8.20 0.00 -1.03 -5.15 105.19 113.99 2k5q n GLY 29 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2k5q n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k5q s GLN 30 N 0.00 3.60 -0.03 1.61 0.00 -1.26 -5.07 119.66 118.51 2k5q s GLN 30 Ca 0.00 -0.14 -0.28 0.00 -0.00 0.00 0.00 55.36 54.95 2k5q s GLN 30 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 33.01 30.17 2k5q s GLN 30 CO 0.00 0.41 0.87 0.15 0.00 0.00 0.00 175.29 176.72 2k5q s LYS 31 N -2.97 4.51 -0.45 9.60 3.01 -1.26 -4.67 119.74 127.51 2k5q s LYS 31 Ca 0.41 1.22 -0.13 0.00 -1.01 0.00 0.00 55.97 56.45 2k5q s LYS 31 Cb -0.12 -3.46 0.07 0.00 -1.01 0.00 0.00 37.83 33.32 2k5q s LYS 31 CO 0.26 -0.01 0.34 0.71 0.51 0.00 0.00 175.35 177.16 2k5q s TYR 32 N 0.94 3.27 -0.44 3.18 2.02 -1.26 -5.00 117.35 120.06 2k5q s TYR 32 Ca 0.47 -1.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.11 2k5q s TYR 32 Cb -0.20 -3.04 0.17 0.00 -0.40 0.00 0.00 41.96 38.50 2k5q s TYR 32 CO 0.24 -0.79 0.47 0.15 -1.57 0.00 0.00 175.55 174.04 2k5q s LYS 33 N 1.57 0.93 0.03 -0.62 1.02 -1.26 -3.70 119.74 117.71 2k5q s LYS 33 Ca 0.04 -1.66 0.06 0.00 0.02 0.00 0.00 55.97 54.43 2k5q s LYS 33 Cb -0.23 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2k5q s LYS 33 CO 0.05 -1.35 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.46 2k5q s ASP 34 N 0.44 3.92 0.05 2.83 1.01 -1.26 -4.86 116.67 118.79 2k5q s ASP 34 Ca 0.31 -0.38 -0.29 0.00 0.71 0.00 0.00 52.55 52.90 2k5q s ASP 34 Cb 0.01 -0.68 -0.05 0.00 1.01 0.00 0.00 42.92 43.21 2k5q s ASP 34 CO -0.13 0.26 0.93 -0.31 0.21 0.00 0.00 175.17 176.13 2k5q s TYR 35 N -0.92 3.73 -0.17 4.23 2.02 0.63 -0.35 117.35 126.52 2k5q s TYR 35 Ca 0.15 1.68 -0.23 0.00 -0.37 0.00 0.00 57.07 58.30 2k5q s TYR 35 Cb -0.11 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.40 2k5q s TYR 35 CO 0.05 0.12 0.71 -2.00 -1.57 0.00 0.00 175.55 172.86 2k5q s GLU 36 N 0.44 4.27 -0.27 -0.62 2.12 0.88 -1.27 118.70 124.24 2k5q s GLU 36 Ca 0.47 0.79 0.03 0.00 0.36 0.00 0.00 54.97 56.62 2k5q s GLU 36 Cb -0.22 -3.56 0.07 0.00 0.26 0.00 0.00 34.13 30.68 2k5q s GLU 36 CO 0.27 -0.23 -0.07 0.71 -0.54 0.00 0.00 175.26 175.40 2k5q s TYR 37 N 1.85 3.27 -0.22 5.30 2.02 -0.89 -4.69 117.35 123.98 2k5q s TYR 37 Ca 0.33 -2.40 0.00 0.00 -0.37 0.00 0.00 57.07 54.64 2k5q s TYR 37 Cb -0.16 -2.08 0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2k5q s TYR 37 CO 0.12 -0.88 -0.12 0.21 -1.57 0.00 0.00 175.55 173.30 2k5q s LYS 38 N 1.09 2.79 0.04 -0.62 2.20 -1.26 -1.45 119.74 122.53 2k5q s LYS 38 Ca -0.05 -0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 54.52 2k5q s LYS 38 Cb -0.20 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.30 2k5q s LYS 38 CO -0.06 -0.36 0.09 -0.48 -0.36 0.00 0.00 175.35 174.19 2k5q s LEU 39 N 1.27 1.82 -0.21 5.43 0.05 -0.44 -4.76 118.68 121.84 2k5q s LEU 39 Ca 0.00 -0.53 -0.05 0.00 0.05 0.00 0.00 54.13 53.60 2k5q s LEU 39 Cb -0.16 0.59 -0.02 0.00 -2.05 0.00 0.00 46.19 44.54 2k5q s LEU 39 CO -0.08 -0.50 0.00 -0.89 -0.55 0.00 0.00 176.35 174.33 2k5q s THR 40 N -2.57 3.92 -0.20 5.48 2.01 -1.26 0.33 115.64 123.34 2k5q s THR 40 Ca -0.05 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 2k5q s THR 40 Cb -0.01 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2k5q s THR 40 CO -0.04 0.42 0.07 -0.83 -0.69 0.00 0.00 174.62 173.54 2k5q s GLY 41 N 1.13 1.87 -0.43 4.40 0.00 0.35 -4.92 107.32 109.72 2k5q s GLY 41 Ca 0.03 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 2k5q s GLY 41 CO 0.01 0.20 0.31 -1.36 0.00 0.00 0.00 173.10 172.26 2k5q s PHE 42 N 0.75 3.28 0.26 1.90 0.40 -1.26 -1.77 117.98 121.55 2k5q s PHE 42 Ca 0.04 -1.13 -0.21 0.00 -0.60 0.00 0.00 56.93 55.03 2k5q s PHE 42 Cb -0.13 -2.92 0.05 0.00 0.51 0.00 0.00 43.02 40.52 2k5q s PHE 42 CO 0.02 -0.78 0.86 0.34 0.70 0.00 0.00 175.22 176.36 2k5q s ASP 43 N 2.17 -0.12 -0.68 1.36 2.15 -0.72 -4.91 116.67 115.93 2k5q s ASP 43 Ca 0.03 -0.73 -0.01 0.00 0.43 0.00 0.00 52.55 52.27 2k5q s ASP 43 Cb -0.23 0.67 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 2k5q s ASP 43 CO 0.05 -1.28 0.66 1.17 -0.17 0.00 0.00 175.17 175.60 2k5q n LYS 44 N -0.53 -1.34 -1.39 4.34 4.81 -1.26 -0.55 118.16 122.24 2k5q n LYS 44 Ca -0.06 1.50 -0.13 0.00 -0.87 0.00 0.00 58.31 58.75 2k5q n LYS 44 Cb 0.60 -5.55 -0.06 0.00 0.02 0.00 0.00 35.03 30.04 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 -1.61 -4.84 0.00 3.14 9.92 -1.26 -2.72 116.55 119.19 2k5q n ASP 45 Ca 0.01 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 2k5q n ASP 45 Cb 0.49 -3.52 0.00 0.00 -0.64 0.00 0.00 41.12 37.45 2k5q n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k5q n GLY 46 N -1.04 1.05 3.67 0.44 0.00 -1.23 -5.06 105.19 103.02 2k5q n GLY 46 Ca -0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.21 4.21 -0.50 1.61 -0.14 0.28 -4.77 119.74 120.23 2k5q s LYS 47 Ca 0.00 2.03 -0.15 0.00 -1.36 0.00 0.00 55.97 56.49 2k5q s LYS 47 Cb 0.00 -3.83 0.10 0.00 -1.68 0.00 0.00 37.83 32.42 2k5q s LYS 47 CO 0.00 -0.75 0.43 -1.83 -0.76 0.00 0.00 175.35 172.44 2k5q s GLU 48 N 3.50 2.93 -0.17 1.68 -1.05 -1.26 -1.75 118.70 122.58 2k5q s GLU 48 Ca 0.67 -1.54 -0.06 0.00 -0.15 0.00 0.00 54.97 53.89 2k5q s GLU 48 Cb -0.31 -4.17 -0.04 0.00 -0.44 0.00 0.00 34.13 29.17 2k5q s GLU 48 CO 0.26 -1.17 0.05 0.21 0.95 0.00 0.00 175.26 175.56 2k5q s LYS 49 N 1.59 3.84 -0.78 -4.83 2.47 -0.73 -4.93 119.74 116.38 2k5q s LYS 49 Ca 0.04 -0.36 -0.21 0.00 -1.56 0.00 0.00 55.97 53.88 2k5q s LYS 49 Cb -0.27 -3.14 0.10 0.00 -1.46 0.00 0.00 37.83 33.06 2k5q s LYS 49 CO 0.04 0.33 1.03 -1.83 0.16 0.00 0.00 175.35 175.09 2k5q s GLU 50 N 0.20 3.32 0.17 4.03 4.04 -1.26 -0.49 118.70 128.71 2k5q s GLU 50 Ca 0.03 -1.24 -0.17 0.00 0.04 0.00 0.00 54.97 53.63 2k5q s GLU 50 Cb -0.12 -4.55 -0.07 0.00 0.02 0.00 0.00 34.13 29.40 2k5q s GLU 50 CO 0.01 -1.80 0.63 -0.51 -1.84 0.00 0.00 175.26 171.75 2k5q s LEU 51 N 3.47 4.36 -0.04 1.83 1.02 0.15 -4.90 118.68 124.57 2k5q s LEU 51 Ca 0.27 1.25 0.01 0.00 0.02 0.00 0.00 54.13 55.68 2k5q s LEU 51 Cb -0.12 -3.38 0.02 0.00 0.02 0.00 0.00 46.19 42.73 2k5q s LEU 51 CO 0.01 0.09 -0.04 -0.70 0.02 0.00 0.00 176.35 175.73 2k5q s GLU 52 N -1.89 0.79 -0.16 1.70 -6.30 -1.26 -1.33 118.70 110.26 2k5q s GLU 52 Ca 0.39 -0.09 -0.09 0.00 -2.50 0.00 0.00 54.97 52.68 2k5q s GLU 52 Cb -0.16 -0.81 0.06 0.00 0.00 0.00 0.00 34.13 33.21 2k5q s GLU 52 CO 0.20 -0.09 0.39 -0.59 0.02 0.00 0.00 175.26 175.20 2k5q s PHE 53 N 0.93 -0.57 -0.20 5.30 -0.71 -0.53 -4.21 117.98 117.99 2k5q s PHE 53 Ca -0.11 1.23 -0.10 0.00 -1.04 0.00 0.00 56.93 56.91 2k5q s PHE 53 Cb -0.14 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 2k5q s PHE 53 CO -0.00 -0.33 0.13 0.95 -1.34 0.00 0.00 175.22 174.63 2k5q s THR 54 N 1.34 5.38 0.03 -4.49 -4.23 -1.26 -2.10 115.64 110.31 2k5q s THR 54 Ca -0.09 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 2k5q s THR 54 Cb -0.08 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 2k5q s THR 54 CO -0.12 0.44 -0.14 0.00 -0.54 0.00 0.00 174.62 174.26 2k5q s ALA 55 N 0.40 2.73 0.44 3.99 0.00 -0.40 -4.87 121.76 124.05 2k5q s ALA 55 Ca 0.08 -1.13 0.18 0.00 0.00 0.00 0.00 51.96 51.08 2k5q s ALA 55 Cb -0.11 -0.87 1.10 0.00 0.00 0.00 0.00 23.12 23.24 2k5q s ALA 55 CO -0.02 0.59 2.00 -0.56 0.00 0.00 0.00 175.76 177.77 2k5q h GLN 56 N 4.54 0.00 -4.74 0.00 3.07 -1.90 0.18 115.11 116.26 2k5q h GLN 56 Ca -0.48 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.00 2k5q h GLN 56 Cb 1.16 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.55 2k5q h GLN 56 CO 0.50 0.18 -0.71 0.21 0.09 0.00 0.00 178.83 179.09 2k5q s LYS 57 N -4.50 0.79 0.02 0.06 2.20 -1.26 -4.69 119.74 112.36 2k5q s LYS 57 Ca -0.04 -1.19 -0.31 0.00 -0.36 0.00 0.00 55.97 54.08 2k5q s LYS 57 Cb 0.15 -0.33 -0.10 0.00 -1.51 0.00 0.00 37.83 36.04 2k5q s LYS 57 CO 0.67 0.03 1.95 0.27 -0.36 0.00 0.00 175.35 177.90 2k5q n ASN 58 N 0.39 4.01 -4.90 1.43 6.94 -1.26 -4.91 115.26 116.96 2k5q n ASN 58 Ca -0.15 0.92 -0.26 0.00 -0.02 0.00 0.00 54.58 55.07 2k5q n ASN 58 Cb 0.59 -1.50 0.07 0.00 -2.36 0.00 0.00 39.78 36.58 2k5q n ASN 58 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2k5q s LEU 59 N 4.25 2.82 -0.02 -4.53 1.43 -1.26 -5.07 118.68 116.31 2k5q s LEU 59 Ca 0.89 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.19 2k5q s LEU 59 Cb -0.49 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 2k5q s LEU 59 CO 0.44 -1.64 0.63 -0.13 0.23 0.00 0.00 176.35 175.88 2k5q s ARG 60 N -5.26 4.37 0.43 1.70 0.52 -1.26 -4.98 118.95 114.47 2k5q s ARG 60 Ca 0.61 0.79 0.08 0.00 -0.52 0.00 0.00 55.73 56.69 2k5q s ARG 60 Cb -0.10 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.01 2k5q s ARG 60 CO 0.45 0.29 0.56 -1.59 0.02 0.00 0.00 175.30 175.02 2k5q s LYS 61 N 0.07 2.76 0.00 3.54 0.00 -1.26 -4.47 119.74 120.37 2k5q s LYS 61 Ca 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 55.97 55.00 2k5q s LYS 61 Cb -0.18 -2.70 0.00 0.00 0.00 0.00 0.00 37.83 34.95 2k5q s LYS 61 CO 0.18 -0.29 0.00 -1.91 0.00 0.00 0.00 175.35 173.32 2k5q n GLU 62 N -1.83 0.00 -1.50 1.78 0.00 -0.98 -4.89 120.64 113.21 2k5q n GLU 62 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.93 2k5q n GLU 62 Cb 0.60 -0.09 0.07 0.00 0.00 0.00 0.00 31.44 32.01 2k5q n GLU 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k5q s ALA 63 N 0.00 2.48 0.20 4.31 0.00 -1.26 -4.71 121.76 122.78 2k5q s ALA 63 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.05 2k5q s ALA 63 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2k5q s ALA 63 CO 0.00 -1.46 0.31 -0.06 0.00 0.00 0.00 175.76 174.56 2k5q s PHE 64 N -3.04 3.44 0.03 0.00 0.40 -1.11 -2.57 117.98 115.13 2k5q s PHE 64 Ca 0.59 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 57.00 2k5q s PHE 64 Cb -0.15 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2k5q s PHE 64 CO 0.55 0.48 -0.12 -0.51 0.70 0.00 0.00 175.22 176.32 2k5q s LEU 65 N -3.61 2.16 -0.77 -0.37 1.02 0.52 -0.58 118.68 117.04 2k5q s LEU 65 Ca 0.34 -0.42 -0.26 0.00 0.02 0.00 0.00 54.13 53.82 2k5q s LEU 65 Cb -0.10 -0.52 0.04 0.00 0.02 0.00 0.00 46.19 45.63 2k5q s LEU 65 CO 0.28 0.01 1.25 -0.60 0.02 0.00 0.00 176.35 177.32 2k5q s ARG 66 N -1.04 3.25 -0.16 1.70 3.52 0.55 -1.68 118.95 125.08 2k5q s ARG 66 Ca 0.00 -0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 54.90 2k5q s ARG 66 Cb -0.07 -4.38 -0.03 0.00 -1.56 0.00 0.00 34.95 28.91 2k5q s ARG 66 CO 0.01 -2.10 0.63 0.14 -0.81 0.00 0.00 175.30 173.17 2k5q s VAL 67 N 5.30 5.04 -0.62 7.11 -7.23 0.09 -2.65 120.40 127.45 2k5q s VAL 67 Ca 0.35 1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 61.48 2k5q s VAL 67 Cb -0.08 -3.96 -0.02 0.00 0.56 0.00 0.00 36.38 32.88 2k5q s VAL 67 CO 0.10 0.16 1.88 -0.47 -0.31 0.00 0.00 175.10 176.46 2k5q s TYR 68 N 1.57 1.65 -0.46 2.82 5.04 0.56 -2.51 117.35 126.03 2k5q s TYR 68 Ca 0.30 0.80 -0.29 0.00 -2.44 0.00 0.00 57.07 55.45 2k5q s TYR 68 Cb -0.16 -4.07 0.02 0.00 0.35 0.00 0.00 41.96 38.10 2k5q s TYR 68 CO 0.12 -2.29 1.25 -1.58 -1.34 0.00 0.00 175.55 171.70 2k5q s HIS 69 N 9.22 2.65 -0.06 4.97 5.65 0.00 -3.10 115.29 134.62 2k5q s HIS 69 Ca 0.68 0.69 0.04 0.00 0.25 0.00 0.00 55.06 56.72 2k5q s HIS 69 Cb -0.12 -4.40 0.00 0.00 -1.18 0.00 0.00 32.58 26.88 2k5q s HIS 69 CO 0.20 -1.55 -0.18 0.45 -0.65 0.00 0.00 174.74 173.01 2k5q s SER 70 N 3.05 2.31 0.49 9.88 0.15 -0.19 -4.18 113.70 125.20 2k5q s SER 70 Ca 0.53 -0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.08 2k5q s SER 70 Cb -0.10 -0.85 1.56 0.00 -1.71 0.00 0.00 66.02 64.93 2k5q s SER 70 CO 0.32 0.13 1.86 0.44 1.20 0.00 0.00 173.24 177.19 2k5q h ASP 71 N 6.54 0.00 0.51 5.45 5.19 -1.95 0.35 116.42 132.51 2k5q h ASP 71 Ca -0.29 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 2k5q h ASP 71 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 2k5q h ASP 71 CO 0.47 0.00 -0.38 0.11 -3.12 0.00 0.00 179.24 176.32 2k5q h LYS 72 N 0.00 -0.83 0.00 3.56 1.57 -2.00 -3.39 116.57 115.48 2k5q h LYS 72 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2k5q h LYS 72 Cb 0.22 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2k5q h LYS 72 CO 0.00 -0.55 -0.47 1.17 -0.57 0.00 0.00 179.45 179.03 2k5q n LYS 73 N -4.75 0.06 0.00 3.15 0.00 -1.07 -5.05 118.16 110.49 2k5q n LYS 73 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 58.31 57.14 2k5q n LYS 73 Cb 0.37 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 34.86 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k5q n GLY 74 N -0.06 1.70 2.88 3.14 0.00 0.12 -4.71 105.19 108.25 2k5q n GLY 74 Ca 0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.20 -1.35 1.61 1.01 -1.26 -1.02 120.40 120.59 2k5q s VAL 75 Ca 0.00 -0.95 0.18 0.00 0.00 0.00 0.00 61.98 61.21 2k5q s VAL 75 Cb 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 2k5q s VAL 75 CO 0.00 -0.09 0.86 -1.20 0.00 0.00 0.00 175.10 174.67 2k5q n SER 76 N 4.80 1.41 -3.56 3.32 7.64 -1.18 -4.83 113.62 121.22 2k5q n SER 76 Ca -0.11 -1.21 -0.16 0.00 1.01 0.00 0.00 58.87 58.40 2k5q n SER 76 Cb 0.45 0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.31 -1.55 -0.20 -0.43 0.00 -1.26 -5.03 121.76 110.98 2k5q s ALA 77 Ca 0.12 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 2k5q s ALA 77 Cb 0.14 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.42 2k5q s ALA 77 CO 0.56 -0.39 0.60 1.67 0.00 0.00 0.00 175.76 178.20 2k5q s TRP 78 N -1.47 -0.64 0.03 0.00 1.48 -1.26 -0.32 118.94 116.75 2k5q s TRP 78 Ca -0.10 1.51 0.02 0.00 -1.06 0.00 0.00 56.10 56.47 2k5q s TRP 78 Cb -0.01 0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 32.52 2k5q s TRP 78 CO 0.07 -0.35 -0.06 -1.21 -4.06 0.00 0.00 176.95 171.34 2k5q s GLU 79 N 0.11 0.46 0.24 3.25 2.02 -1.08 -4.97 118.70 118.73 2k5q s GLU 79 Ca -0.02 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 2k5q s GLU 79 Cb -0.04 -0.25 -0.09 0.00 0.10 0.00 0.00 34.13 33.86 2k5q s GLU 79 CO 0.02 0.05 0.96 -2.00 0.02 0.00 0.00 175.26 174.31 2k5q s GLU 80 N -1.23 4.82 -0.07 1.61 2.12 -1.26 -0.33 118.70 124.36 2k5q s GLU 80 Ca -0.08 1.53 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 2k5q s GLU 80 Cb -0.08 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 31.08 2k5q s GLU 80 CO 0.00 0.47 0.16 0.14 -0.54 0.00 0.00 175.26 175.49 2k5q s VAL 81 N -1.15 -0.11 0.16 3.70 -7.23 0.25 -4.86 120.40 111.17 2k5q s VAL 81 Ca 0.42 0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.51 2k5q s VAL 81 Cb -0.27 -0.27 -0.07 0.00 0.56 0.00 0.00 36.38 36.33 2k5q s VAL 81 CO 0.33 0.09 1.17 -0.54 -0.31 0.00 0.00 175.10 175.84 2k5q s LYS 82 N 1.49 4.51 0.55 4.82 1.02 -1.26 -2.76 119.74 128.11 2k5q s LYS 82 Ca -0.06 1.81 0.37 0.00 0.02 0.00 0.00 55.97 58.11 2k5q s LYS 82 Cb -0.12 -3.27 1.94 0.00 -0.52 0.00 0.00 37.83 35.87 2k5q s LYS 82 CO -0.06 -0.06 2.13 1.57 -0.92 0.00 0.00 175.35 178.00 2k5q h LYS 83 N 5.45 0.00 0.00 1.68 -0.00 -1.93 -2.01 116.57 119.77 2k5q h LYS 83 Ca -0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.21 2k5q h LYS 83 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2k5q h LYS 83 CO 0.75 0.00 -0.01 -0.44 -0.00 0.00 0.00 179.45 179.75 2k5q h ASP 84 N 0.00 0.00 -0.10 7.07 3.32 -2.02 -3.07 116.42 121.62 2k5q h ASP 84 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k5q h ASP 84 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2k5q h ASP 84 CO 0.00 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 176.91 2k5q n GLU 85 N -3.12 1.55 -2.71 3.56 1.02 -0.75 -5.01 120.64 115.17 2k5q n GLU 85 Ca -0.01 -1.36 -0.38 0.00 -0.02 0.00 0.00 57.16 55.40 2k5q n GLU 85 Cb 0.23 -1.12 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 2k5q n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k5q s LEU 86 N -0.76 4.41 0.45 -4.62 1.02 -1.16 -5.01 118.68 113.00 2k5q s LEU 86 Ca 0.09 1.93 -0.25 0.00 0.02 0.00 0.00 54.13 55.92 2k5q s LEU 86 Cb 0.05 -3.90 -0.08 0.00 0.02 0.00 0.00 46.19 42.28 2k5q s LEU 86 CO 0.07 -0.07 1.44 -0.81 0.02 0.00 0.00 176.35 176.99 2k5q n PRO 87 N 0.77 2.27 0.23 1.29 -0.04 -1.26 -4.92 135.00 133.33 2k5q n PRO 87 Ca 0.01 0.81 0.07 0.00 -0.04 0.00 0.00 63.50 64.35 2k5q n PRO 87 Cb 0.49 -2.63 0.55 0.00 -0.04 0.00 0.00 33.50 31.87 2k5q n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5q h ALA 88 N 2.31 1.55 -0.54 0.55 0.00 -1.99 -3.01 119.26 118.14 2k5q h ALA 88 Ca -0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k5q h ALA 88 Cb 1.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2k5q h ALA 88 CO 0.61 0.23 0.33 0.87 0.00 0.00 0.00 179.25 181.29 2k5q h LYS 89 N 0.00 0.72 0.08 0.00 6.56 -2.00 0.73 116.57 122.65 2k5q h LYS 89 Ca -0.00 -0.06 -0.27 0.00 -1.06 0.00 0.00 60.65 59.26 2k5q h LYS 89 Cb 0.35 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 2k5q h LYS 89 CO 0.02 0.50 -1.35 -0.24 -2.06 0.00 0.00 179.45 176.33 2k5q h VAL 90 N 0.74 1.35 0.00 0.50 3.04 -1.92 -3.27 116.25 116.68 2k5q h VAL 90 Ca 0.20 -3.01 -0.03 0.00 -1.01 0.00 0.00 66.70 62.85 2k5q h VAL 90 Cb -0.04 2.80 -0.00 0.00 -2.01 0.00 0.00 31.29 32.04 2k5q h VAL 90 CO -0.04 0.84 -0.13 0.50 -1.01 0.00 0.00 177.57 177.73 2k5q h LYS 91 N 0.05 0.00 -0.37 4.17 3.11 -1.30 -1.10 116.57 121.13 2k5q h LYS 91 Ca -0.16 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.78 2k5q h LYS 91 Cb 1.95 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.16 2k5q h LYS 91 CO 0.16 0.13 0.43 1.49 -2.81 0.00 0.00 179.45 178.85 2k5q h GLU 92 N 0.00 0.00 0.00 1.90 4.81 -0.93 -2.57 114.58 117.79 2k5q h GLU 92 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2k5q h GLU 92 Cb 0.30 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2k5q h GLU 92 CO 0.02 0.00 -2.13 1.63 -0.73 0.00 0.00 179.01 177.80 2k5q n LYS 93 N -3.65 0.48 -2.57 1.92 4.01 -0.55 -2.90 118.16 114.89 2k5q n LYS 93 Ca 0.06 0.13 -0.41 0.00 -0.51 0.00 0.00 58.31 57.58 2k5q n LYS 93 Cb 0.59 -1.36 -0.03 0.00 -0.51 0.00 0.00 35.03 33.72 2k5q n LYS 93 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2k5q s LEU 94 N -6.34 3.58 0.00 -0.35 1.98 -0.53 -3.97 118.68 113.05 2k5q s LEU 94 Ca -0.27 -1.62 0.00 0.00 -2.89 0.00 0.00 54.13 49.35 2k5q s LEU 94 Cb 0.08 -2.57 0.00 0.00 0.66 0.00 0.00 46.19 44.36 2k5q s LEU 94 CO 0.44 -1.45 0.00 0.61 -1.89 0.00 0.00 176.35 174.06 2k5q n GLY 95 N 6.63 3.12 3.91 7.98 0.00 -1.26 -4.67 105.19 120.90 2k5q n GLY 95 Ca 0.35 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.29 5.04 -0.39 1.61 1.01 -1.10 -5.08 120.40 121.20 2k5q s VAL 96 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 2k5q s VAL 96 Cb 0.00 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2k5q s VAL 96 CO 0.00 -0.39 0.26 -0.54 0.00 0.00 0.00 175.10 174.43 2k5q s LYS 97 N -3.75 2.97 -0.62 2.72 -0.14 -1.24 -3.86 119.74 115.83 2k5q s LYS 97 Ca 0.43 -1.00 -0.26 0.00 -1.36 0.00 0.00 55.97 53.78 2k5q s LYS 97 Cb -0.10 -3.87 -0.11 0.00 -1.68 0.00 0.00 37.83 32.06 2k5q s LYS 97 CO 0.32 -0.70 2.45 1.47 -0.76 0.00 0.00 175.35 178.12 2k5q n LEU 98 N 5.10 1.85 -0.12 3.17 -0.00 -1.14 -4.76 117.00 121.09 2k5q n LEU 98 Ca -0.11 -0.60 -0.25 0.00 -0.00 0.00 0.00 56.01 55.04 2k5q n LEU 98 Cb 0.47 -1.48 -0.10 0.00 -0.00 0.00 0.00 43.42 42.31 2k5q n LEU 98 CO 0.39 -1.66 -1.08 1.21 -0.00 0.00 0.00 177.39 176.25 2k5q n GLU 99 N 8.79 0.57 -2.42 1.47 2.13 -1.26 -5.10 120.64 124.83 2k5q n GLU 99 Ca 0.44 0.36 -0.04 0.00 0.66 0.00 0.00 57.16 58.58 2k5q n GLU 99 Cb 0.45 -1.57 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 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 -4.33 -4.29 -2.46 4.31 8.25 -1.26 -4.87 115.22 110.57 2k5q n HIS 100 Ca -0.43 2.52 -0.41 0.00 -0.26 0.00 0.00 57.72 59.13 2k5q n HIS 100 Cb 0.78 -3.74 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 2k5q n HIS 100 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5q s HIS 101 N -0.59 2.31 0.45 4.41 3.76 -1.26 -5.01 115.29 119.36 2k5q s HIS 101 Ca -0.18 0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.83 2k5q s HIS 101 Cb 0.01 -4.47 -0.08 0.00 1.11 0.00 0.00 32.58 29.15 2k5q s HIS 101 CO 0.48 -1.94 1.12 -1.58 -0.85 0.00 0.00 174.74 171.97 2k5q s HIS 102 N 5.93 3.00 -0.01 1.40 5.04 -1.26 -5.00 115.29 124.38 2k5q s HIS 102 Ca 0.46 1.57 -0.28 0.00 -1.54 0.00 0.00 55.06 55.27 2k5q s HIS 102 Cb -0.09 -3.27 -0.04 0.00 0.04 0.00 0.00 32.58 29.22 2k5q s HIS 102 CO 0.22 -1.18 0.89 -1.01 -2.34 0.00 0.00 174.74 171.32 2k5q s HIS 103 N -1.63 3.65 -0.06 3.88 3.76 -1.26 -5.05 115.29 118.58 2k5q s HIS 103 Ca 0.63 1.58 -0.05 0.00 -0.15 0.00 0.00 55.06 57.06 2k5q s HIS 103 Cb -0.25 -3.01 0.02 0.00 1.11 0.00 0.00 32.58 30.45 2k5q s HIS 103 CO 0.31 0.05 0.16 -3.38 -0.85 0.00 0.00 174.74 171.02 2k5q s HIS 104 N 0.82 -0.18 -3.00 1.40 -3.43 -1.26 -5.36 115.29 104.29 2k5q s HIS 104 Ca 0.47 0.46 0.24 0.00 -0.80 0.00 0.00 55.06 55.43 2k5q s HIS 104 Cb -0.20 0.02 0.20 0.00 -1.43 0.00 0.00 32.58 31.16 2k5q s HIS 104 CO 0.25 -0.12 1.26 0.72 -2.00 0.00 0.00 174.74 174.86