#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5f s LYS 2 N 0.00 4.27 0.42 2.12 3.01 -1.26 -0.33 119.74 127.97 2k5f s LYS 2 Ca 0.00 0.98 0.14 0.00 -1.01 0.00 0.00 55.97 56.08 2k5f s LYS 2 Cb 0.00 -2.62 0.92 0.00 -1.01 0.00 0.00 37.83 35.12 2k5f s LYS 2 CO 0.00 0.23 1.94 1.25 0.51 0.00 0.00 175.35 179.27 2k5f h LEU 3 N 2.79 0.00 -0.09 3.17 5.85 -0.87 -1.19 115.31 124.97 2k5f h LEU 3 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k5f h LEU 3 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k5f h LEU 3 CO 0.64 0.25 0.00 -0.24 -0.34 0.00 0.00 178.44 178.75 2k5f n SER 4 N -4.22 0.20 -0.51 1.25 2.88 -1.06 -2.73 113.62 109.43 2k5f n SER 4 Ca -0.02 0.53 0.13 0.00 -1.33 0.00 0.00 58.87 58.18 2k5f n SER 4 Cb 0.30 -0.58 0.31 0.00 -0.75 0.00 0.00 64.21 63.49 2k5f n SER 4 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k5f n GLU 5 N -1.70 1.47 -1.68 -1.46 0.00 -0.45 -4.92 120.64 111.90 2k5f n GLU 5 Ca 0.05 -1.02 -0.31 0.00 0.00 0.00 0.00 57.16 55.88 2k5f n GLU 5 Cb 0.28 -1.48 0.04 0.00 0.00 0.00 0.00 31.44 30.28 2k5f n GLU 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2k5f s LEU 6 N -2.23 3.15 0.41 4.31 1.43 -1.11 -4.96 118.68 119.68 2k5f s LEU 6 Ca 0.29 1.53 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 2k5f s LEU 6 Cb 0.20 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2k5f s LEU 6 CO 0.42 -1.25 0.25 -0.54 0.23 0.00 0.00 176.35 175.47 2k5f s LYS 7 N -5.10 2.35 -0.39 1.70 -0.14 -1.26 -5.03 119.74 111.87 2k5f s LYS 7 Ca 0.57 -1.70 -0.28 0.00 -1.36 0.00 0.00 55.97 53.19 2k5f s LYS 7 Cb -0.13 -2.15 -0.01 0.00 -1.68 0.00 0.00 37.83 33.87 2k5f s LYS 7 CO 0.55 -0.12 1.63 0.00 -0.76 0.00 0.00 175.35 176.65 2k5f s ALA 8 N -2.54 2.89 0.00 5.17 0.00 -1.26 -1.60 121.76 124.42 2k5f s ALA 8 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2k5f s ALA 8 Cb 0.01 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2k5f s ALA 8 CO 0.25 -2.64 0.00 0.41 0.00 0.00 0.00 175.76 173.77 2k5f n GLY 9 N 5.30 1.46 3.75 0.00 0.00 0.18 -5.00 105.19 110.88 2k5f n GLY 9 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2k5f n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5f s ASP 10 N -1.94 7.35 -0.18 1.61 1.01 -0.63 -4.78 116.67 119.11 2k5f s ASP 10 Ca 0.00 2.10 -0.01 0.00 0.71 0.00 0.00 52.55 55.35 2k5f s ASP 10 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 2k5f s ASP 10 CO 0.00 -0.12 -0.12 -0.60 0.21 0.00 0.00 175.17 174.54 2k5f s ARG 11 N -0.82 3.25 0.05 8.23 3.52 -1.26 -1.46 118.95 130.46 2k5f s ARG 11 Ca 0.46 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2k5f s ARG 11 Cb -0.29 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 2k5f s ARG 11 CO 0.36 -0.08 0.03 0.00 -0.81 0.00 0.00 175.30 174.80 2k5f s ALA 12 N 1.10 0.25 0.00 6.12 0.00 0.56 -0.18 121.76 129.61 2k5f s ALA 12 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2k5f s ALA 12 Cb -0.14 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2k5f s ALA 12 CO -0.03 -0.37 -0.01 -1.83 0.00 0.00 0.00 175.76 173.52 2k5f s GLU 13 N -3.54 2.75 -0.24 0.00 -1.05 0.46 0.06 118.70 117.13 2k5f s GLU 13 Ca 0.03 -0.63 -0.29 0.00 -0.15 0.00 0.00 54.97 53.93 2k5f s GLU 13 Cb 0.05 -2.65 -0.00 0.00 -0.44 0.00 0.00 34.13 31.09 2k5f s GLU 13 CO -0.09 0.62 1.24 0.08 0.95 0.00 0.00 175.26 178.06 2k5f s VAL 14 N -1.09 4.28 -0.14 1.83 1.01 0.97 -0.31 120.40 126.95 2k5f s VAL 14 Ca 0.20 1.50 0.18 0.00 0.00 0.00 0.00 61.98 63.86 2k5f s VAL 14 Cb -0.11 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.88 2k5f s VAL 14 CO 0.10 -0.32 0.34 0.35 0.00 0.00 0.00 175.10 175.58 2k5f n THR 15 N 5.78 1.03 -3.46 3.92 -2.24 0.16 -0.20 114.28 119.26 2k5f n THR 15 Ca 0.14 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 2k5f n THR 15 Cb 0.46 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 2k5f n THR 15 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k5f s SER 16 N -5.34 -0.57 -0.05 3.42 0.15 -0.69 -4.81 113.70 105.80 2k5f s SER 16 Ca -0.08 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 2k5f s SER 16 Cb 0.09 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2k5f s SER 16 CO 0.85 -0.88 0.13 0.54 1.20 0.00 0.00 173.24 175.08 2k5f s VAL 17 N -3.14 -0.03 -0.20 4.45 0.11 -1.26 -0.10 120.40 120.22 2k5f s VAL 17 Ca -0.02 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2k5f s VAL 17 Cb -0.01 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.70 2k5f s VAL 17 CO -0.07 0.05 0.02 0.00 -3.33 0.00 0.00 175.10 171.77 2k5f s ALA 18 N 0.81 1.16 0.23 1.54 0.00 -0.54 -4.97 121.76 120.00 2k5f s ALA 18 Ca -0.06 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2k5f s ALA 18 Cb -0.08 -1.22 0.06 0.00 0.00 0.00 0.00 23.12 21.88 2k5f s ALA 18 CO -0.04 -1.17 0.90 0.00 0.00 0.00 0.00 175.76 175.45 2k5f s ALA 19 N 1.78 -1.37 0.55 0.00 0.00 -1.26 -4.34 121.76 117.12 2k5f s ALA 19 Ca -0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 2k5f s ALA 19 Cb -0.17 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2k5f s ALA 19 CO -0.08 -1.04 1.32 0.39 0.00 0.00 0.00 175.76 176.35 2k5f n GLU 20 N -0.54 1.62 -0.34 0.00 4.71 -1.26 -4.68 120.64 120.14 2k5f n GLU 20 Ca -0.05 0.60 0.09 0.00 -0.01 0.00 0.00 57.16 57.79 2k5f n GLU 20 Cb 0.60 -2.52 0.27 0.00 -1.01 0.00 0.00 31.44 28.77 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2k5f h PRO 21 N 1.36 0.78 -0.41 3.49 0.13 -2.01 0.33 132.00 135.66 2k5f h PRO 21 Ca -0.50 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 2k5f h PRO 21 Cb 1.31 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2k5f h PRO 21 CO 0.57 0.51 -0.03 0.00 -0.23 0.00 0.00 178.00 178.82 2k5f h ALA 22 N 1.59 0.56 -0.34 -0.56 0.00 -1.99 0.16 119.26 118.68 2k5f h ALA 22 Ca 0.52 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2k5f h ALA 22 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k5f h ALA 22 CO -0.34 0.37 -0.27 0.28 0.00 0.00 0.00 179.25 179.29 2k5f h VAL 23 N 0.58 1.29 -0.24 0.00 2.07 -1.63 -2.15 116.25 116.17 2k5f h VAL 23 Ca 0.11 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 2k5f h VAL 23 Cb 0.52 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2k5f h VAL 23 CO 0.03 0.47 0.14 -0.09 0.02 0.00 0.00 177.57 178.14 2k5f h ARG 24 N 0.56 0.32 -0.91 1.57 2.43 -0.27 -0.92 114.38 117.16 2k5f h ARG 24 Ca 0.06 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2k5f h ARG 24 Cb 0.84 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 2k5f h ARG 24 CO 0.07 0.26 0.58 -0.09 -1.51 0.00 0.00 179.97 179.28 2k5f h ARG 25 N 0.29 1.05 -0.33 0.20 9.65 -0.63 0.25 114.38 124.86 2k5f h ARG 25 Ca 0.08 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2k5f h ARG 25 Cb 0.02 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 2k5f h ARG 25 CO -0.02 0.69 0.18 -0.09 2.80 0.00 0.00 179.97 183.53 2k5f h ARG 26 N 1.08 0.46 -0.63 0.20 2.43 -1.01 -0.72 114.38 116.20 2k5f h ARG 26 Ca 0.39 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 2k5f h ARG 26 Cb 0.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2k5f h ARG 26 CO -0.16 0.40 0.30 -0.07 -1.51 0.00 0.00 179.97 178.93 2k5f h LEU 27 N 0.41 0.82 -1.09 3.80 3.38 -0.19 -1.06 115.31 121.38 2k5f h LEU 27 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k5f h LEU 27 Cb 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2k5f h LEU 27 CO -0.02 0.72 0.40 0.24 0.09 0.00 0.00 178.44 179.87 2k5f h MET 28 N 0.86 1.03 -0.01 1.13 2.86 -0.30 0.15 114.93 120.65 2k5f h MET 28 Ca 0.22 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2k5f h MET 28 Cb 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2k5f h MET 28 CO -0.03 0.76 -0.50 0.22 1.06 0.00 0.00 176.91 178.42 2k5f h ASP 29 N 1.04 0.04 0.00 1.22 3.58 -0.68 -2.11 116.42 119.50 2k5f h ASP 29 Ca 0.26 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2k5f h ASP 29 Cb 0.04 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k5f h ASP 29 CO -0.04 0.54 0.00 0.18 -2.88 0.00 0.00 179.24 177.03 2k5f n LEU 30 N -3.94 0.00 0.00 2.28 4.77 -0.44 -4.85 117.00 114.82 2k5f n LEU 30 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2k5f n LEU 30 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2k5f n LEU 30 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2k5f n GLY 31 N 0.85 0.73 3.34 -0.72 0.00 -0.79 -4.74 105.19 103.86 2k5f n GLY 31 Ca 0.21 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 2k5f n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k5f s LEU 32 N 0.00 6.28 0.36 0.99 0.20 0.42 -4.67 118.68 122.26 2k5f s LEU 32 Ca 0.00 -2.24 0.05 0.00 0.69 0.00 0.00 54.13 52.64 2k5f s LEU 32 Cb 0.00 -2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2k5f s LEU 32 CO 0.00 -0.76 0.21 0.68 -0.29 0.00 0.00 176.35 176.19 2k5f s VAL 33 N 1.09 0.25 0.01 1.68 -7.23 -1.26 -3.61 120.40 111.33 2k5f s VAL 33 Ca 0.14 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 2k5f s VAL 33 Cb -0.17 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.28 2k5f s VAL 33 CO -0.04 0.00 1.64 -0.60 -0.31 0.00 0.00 175.10 175.79 2k5f s ARG 34 N -3.59 4.20 0.00 4.82 3.52 -1.26 -1.52 118.95 125.12 2k5f s ARG 34 Ca 0.33 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 2k5f s ARG 34 Cb 0.03 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2k5f s ARG 34 CO 0.21 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 2k5f n GLY 35 N 4.05 2.62 3.73 8.12 0.00 0.72 -5.01 105.19 119.42 2k5f n GLY 35 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2k5f n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5f s ALA 36 N -2.57 3.50 -0.15 4.61 0.00 -0.57 -4.75 121.76 121.82 2k5f s ALA 36 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 2k5f s ALA 36 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2k5f s ALA 36 CO 0.00 -0.49 -0.05 0.15 0.00 0.00 0.00 175.76 175.36 2k5f s LYS 37 N 0.25 3.58 0.18 0.00 1.02 -1.26 -0.02 119.74 123.49 2k5f s LYS 37 Ca 0.57 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 56.05 2k5f s LYS 37 Cb -0.35 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 2k5f s LYS 37 CO 0.35 0.27 -0.02 -0.48 -0.92 0.00 0.00 175.35 174.55 2k5f s LEU 38 N 0.28 2.23 -0.02 3.17 0.05 0.11 -0.48 118.68 124.01 2k5f s LEU 38 Ca -0.04 -1.15 0.01 0.00 0.05 0.00 0.00 54.13 53.00 2k5f s LEU 38 Cb -0.14 -0.17 0.01 0.00 -2.05 0.00 0.00 46.19 43.83 2k5f s LEU 38 CO 0.03 -0.50 -0.04 -0.75 -0.55 0.00 0.00 176.35 174.53 2k5f s LYS 39 N -3.87 0.56 -0.00 1.48 2.20 0.04 -0.33 119.74 119.82 2k5f s LYS 39 Ca 0.24 -0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 2k5f s LYS 39 Cb 0.05 -0.58 -0.05 0.00 -1.51 0.00 0.00 37.83 35.75 2k5f s LYS 39 CO 0.04 0.01 1.28 0.08 -0.36 0.00 0.00 175.35 176.41 2k5f s VAL 40 N 0.40 3.96 -0.18 4.02 1.01 -0.54 -0.41 120.40 128.66 2k5f s VAL 40 Ca -0.05 1.34 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 2k5f s VAL 40 Cb -0.08 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 2k5f s VAL 40 CO -0.00 0.03 -0.02 0.18 0.00 0.00 0.00 175.10 175.28 2k5f n LEU 41 N 4.93 1.85 -3.82 3.92 4.77 0.58 -0.65 117.00 128.58 2k5f n LEU 41 Ca 0.11 0.50 -0.08 0.00 -0.03 0.00 0.00 56.01 56.51 2k5f n LEU 41 Cb 0.45 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 2k5f n LEU 41 CO 0.57 -0.05 0.37 0.00 -1.33 0.00 0.00 177.39 176.95 2k5f s ARG 42 N -2.35 1.62 0.09 3.23 1.70 -0.96 -4.58 118.95 117.69 2k5f s ARG 42 Ca -0.24 -0.96 0.08 0.00 -0.47 0.00 0.00 55.73 54.14 2k5f s ARG 42 Cb 0.05 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 2k5f s ARG 42 CO 0.42 -0.72 -0.21 -0.06 -1.08 0.00 0.00 175.30 173.65 2k5f s PHE 43 N -3.91 1.84 0.82 5.89 0.08 -1.26 -1.69 117.98 119.75 2k5f s PHE 43 Ca 0.12 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 2k5f s PHE 43 Cb -0.04 -1.03 0.08 0.00 -0.57 0.00 0.00 43.02 41.47 2k5f s PHE 43 CO 0.04 0.19 1.11 0.00 -0.10 0.00 0.00 175.22 176.45 2k5f s ALA 44 N -1.06 2.16 -2.00 5.36 0.00 -0.63 -4.90 121.76 120.69 2k5f s ALA 44 Ca 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2k5f s ALA 44 Cb -0.10 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 20.04 2k5f s ALA 44 CO 0.04 -1.84 0.38 -0.35 0.00 0.00 0.00 175.76 173.99 2k5f n PRO 45 N -3.50 0.14 -0.05 0.00 -0.04 -1.26 -0.90 135.00 129.39 2k5f n PRO 45 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2k5f n PRO 45 Cb 0.57 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 2k5f n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k5f n LEU 46 N -0.70 0.82 0.00 1.53 4.77 -1.26 -4.96 117.00 117.20 2k5f n LEU 46 Ca 0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2k5f n LEU 46 Cb 0.01 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2k5f n LEU 46 CO 0.01 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2k5f n GLY 47 N -0.26 0.32 3.63 -0.72 0.00 -0.08 -4.95 105.19 103.14 2k5f n GLY 47 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2k5f n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 48 N -2.03 -0.90 1.04 1.61 2.15 -1.26 -4.46 116.67 112.82 2k5f s ASP 48 Ca 0.00 1.39 -0.16 0.00 0.43 0.00 0.00 52.55 54.20 2k5f s ASP 48 Cb 0.00 1.52 0.22 0.00 -0.30 0.00 0.00 42.92 44.36 2k5f s ASP 48 CO 0.00 -0.21 1.23 -2.65 -0.17 0.00 0.00 175.17 173.36 2k5f n PRO 49 N 4.42 -1.50 -5.12 4.34 -0.02 -1.26 -4.62 135.00 131.23 2k5f n PRO 49 Ca -0.18 -1.90 -0.29 0.00 -2.02 0.00 0.00 63.50 59.11 2k5f n PRO 49 Cb 0.57 -1.34 -0.16 0.00 -0.02 0.00 0.00 33.50 32.55 2k5f n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k5f s ILE 50 N -3.62 1.82 -0.18 4.25 1.01 0.23 -1.61 121.20 123.08 2k5f s ILE 50 Ca 0.71 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2k5f s ILE 50 Cb -0.03 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2k5f s ILE 50 CO 0.50 0.51 -0.05 -1.61 0.00 0.00 0.00 174.94 174.29 2k5f s GLU 51 N -0.31 3.48 0.10 2.79 2.02 -0.68 -0.48 118.70 125.63 2k5f s GLU 51 Ca 0.02 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.45 2k5f s GLU 51 Cb -0.11 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 2k5f s GLU 51 CO 0.01 0.02 -0.09 0.14 0.02 0.00 0.00 175.26 175.36 2k5f s VAL 52 N 0.93 0.89 -0.48 2.63 -7.23 -0.92 -0.31 120.40 115.91 2k5f s VAL 52 Ca -0.01 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2k5f s VAL 52 Cb -0.15 -1.49 0.11 0.00 0.56 0.00 0.00 36.38 35.41 2k5f s VAL 52 CO 0.01 -0.67 0.36 0.21 -0.31 0.00 0.00 175.10 174.70 2k5f s ASN 53 N -2.70 5.81 -0.27 4.85 3.84 0.45 -2.01 114.94 124.91 2k5f s ASN 53 Ca 0.08 -1.80 -0.04 0.00 0.21 0.00 0.00 52.86 51.31 2k5f s ASN 53 Cb 0.00 -2.05 0.02 0.00 -0.55 0.00 0.00 41.25 38.66 2k5f s ASN 53 CO -0.01 -0.70 0.02 0.00 -2.79 0.00 0.00 177.10 173.61 2k5f n ASN 55 N 4.77 -5.02 0.00 0.00 2.85 0.37 -0.16 115.26 118.07 2k5f n ASN 55 Ca -0.15 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 2k5f n ASN 55 Cb 0.48 -4.00 0.00 0.00 1.24 0.00 0.00 39.78 37.49 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5f n GLY 56 N -0.92 0.61 3.70 8.20 0.00 -1.26 -5.03 105.19 110.48 2k5f n GLY 56 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2k5f n GLY 56 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k5f s MET 57 N -0.79 4.20 -0.50 1.61 0.00 0.77 -5.05 119.30 119.54 2k5f s MET 57 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 55.69 55.55 2k5f s MET 57 Cb 0.00 -3.48 0.06 0.00 0.00 0.00 0.00 34.83 31.42 2k5f s MET 57 CO 0.00 0.13 0.56 -0.51 0.00 0.00 0.00 175.02 175.20 2k5f s LEU 58 N 0.81 5.19 -0.01 4.11 1.02 -1.26 0.32 118.68 128.86 2k5f s LEU 58 Ca 0.15 -1.06 0.04 0.00 0.02 0.00 0.00 54.13 53.28 2k5f s LEU 58 Cb -0.13 -2.36 -0.01 0.00 0.02 0.00 0.00 46.19 43.70 2k5f s LEU 58 CO 0.05 -0.82 -0.13 -1.48 0.02 0.00 0.00 176.35 173.99 2k5f s LEU 59 N 2.32 2.04 -0.20 1.79 2.34 -0.85 -5.02 118.68 121.10 2k5f s LEU 59 Ca 0.12 -0.25 -0.15 0.00 0.06 0.00 0.00 54.13 53.91 2k5f s LEU 59 Cb -0.21 -0.64 -0.04 0.00 -0.56 0.00 0.00 46.19 44.74 2k5f s LEU 59 CO 0.10 0.14 0.37 -0.89 -1.06 0.00 0.00 176.35 175.01 2k5f s THR 60 N -0.34 5.22 0.15 5.48 2.01 -1.26 -2.18 115.64 124.72 2k5f s THR 60 Ca 0.05 0.65 0.04 0.00 0.31 0.00 0.00 61.69 62.74 2k5f s THR 60 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k5f s THR 60 CO -0.00 0.28 -0.08 0.00 -0.69 0.00 0.00 174.62 174.12 2k5f s MET 61 N 1.18 1.04 0.43 4.92 0.23 0.37 -4.97 119.30 122.50 2k5f s MET 61 Ca 0.18 -1.45 -0.08 0.00 -1.03 0.00 0.00 55.69 53.31 2k5f s MET 61 Cb -0.14 -0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.58 2k5f s MET 61 CO 0.07 0.03 0.76 1.03 -2.03 0.00 0.00 175.02 174.88 2k5f s ARG 62 N -3.78 3.67 0.16 3.16 1.81 -1.26 0.74 118.95 123.44 2k5f s ARG 62 Ca 0.17 0.32 -0.15 0.00 -1.72 0.00 0.00 55.73 54.35 2k5f s ARG 62 Cb 0.04 -2.41 0.04 0.00 -0.45 0.00 0.00 34.95 32.17 2k5f s ARG 62 CO 0.00 -0.08 1.78 -0.09 -0.68 0.00 0.00 175.30 176.23 2k5f h ARG 63 N 0.87 0.67 0.00 3.54 2.43 -1.90 -2.08 114.38 117.92 2k5f h ARG 63 Ca -0.47 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2k5f h ARG 63 Cb 1.19 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2k5f h ARG 63 CO 0.63 0.51 -0.02 -2.95 -1.51 0.00 0.00 179.97 176.63 2k5f h ASN 64 N 0.65 0.00 -0.16 -3.80 7.08 -1.94 0.28 115.58 117.70 2k5f h ASN 64 Ca 0.17 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.21 2k5f h ASN 64 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 2k5f h ASN 64 CO -0.03 0.02 -0.61 -0.33 -2.08 0.00 0.00 177.43 174.40 2k5f h GLU 65 N 0.00 0.76 0.00 4.14 5.08 -1.78 -3.11 114.58 119.67 2k5f h GLU 65 Ca -0.00 -0.52 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 2k5f h GLU 65 Cb 0.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2k5f h GLU 65 CO 0.00 1.14 -0.40 0.00 -1.00 0.00 0.00 179.01 178.75 2k5f h ALA 66 N 0.74 0.93 -0.35 3.43 0.00 -0.61 -3.14 119.26 120.27 2k5f h ALA 66 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k5f h ALA 66 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2k5f h ALA 66 CO 0.13 0.50 0.22 0.93 0.00 0.00 0.00 179.25 181.04 2k5f h GLU 67 N 0.00 0.46 0.00 0.00 4.39 -0.96 -2.10 114.58 116.37 2k5f h GLU 67 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k5f h GLU 67 Cb 0.98 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k5f h GLU 67 CO 0.05 0.32 0.00 0.78 -1.16 0.00 0.00 179.01 179.00 2k5f h GLY 68 N 0.46 0.00 -5.27 -3.84 0.00 -1.56 -3.44 103.07 89.43 2k5f h GLY 68 Ca 0.13 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 2k5f h GLY 68 CO -0.03 0.00 -0.13 -0.42 0.00 0.00 0.00 176.54 175.97 2k5f s ILE 69 N -3.54 5.09 -0.20 2.60 1.01 -0.82 -1.46 121.20 123.88 2k5f s ILE 69 Ca 0.01 0.99 -0.06 0.00 0.00 0.00 0.00 60.65 61.59 2k5f s ILE 69 Cb 0.09 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2k5f s ILE 69 CO 0.40 0.41 0.02 -0.89 0.00 0.00 0.00 174.94 174.88 2k5f s THR 70 N 0.04 4.16 0.21 2.92 2.01 0.85 -0.96 115.64 124.88 2k5f s THR 70 Ca 0.26 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.09 2k5f s THR 70 Cb -0.16 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 2k5f s THR 70 CO 0.12 0.42 -0.10 0.68 -0.69 0.00 0.00 174.62 175.05 2k5f s VAL 71 N 0.97 1.54 -0.14 3.82 -7.23 0.55 -0.67 120.40 119.23 2k5f s VAL 71 Ca 0.02 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2k5f s VAL 71 Cb -0.14 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2k5f s VAL 71 CO 0.02 -0.52 -0.13 -2.28 -0.31 0.00 0.00 175.10 171.88 2k5f s HIS 72 N -3.09 2.07 0.22 2.82 5.65 0.57 -3.65 115.29 119.88 2k5f s HIS 72 Ca 0.24 -1.15 -0.31 0.00 0.25 0.00 0.00 55.06 54.09 2k5f s HIS 72 Cb 0.02 -1.54 -0.10 0.00 -1.18 0.00 0.00 32.58 29.77 2k5f s HIS 72 CO 0.07 -0.65 1.53 0.42 -0.65 0.00 0.00 174.74 175.47 2k5f s ILE 73 N 1.52 2.51 -0.52 0.89 1.01 -1.26 -0.41 121.20 124.94 2k5f s ILE 73 Ca 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 2k5f s ILE 73 Cb -0.13 -3.26 0.03 0.00 0.01 0.00 0.00 42.46 39.11 2k5f s ILE 73 CO -0.10 0.05 2.83 0.18 0.00 0.00 0.00 174.94 177.90 2k5f n LEU 74 N 3.08 6.55 0.04 2.97 4.77 0.75 -4.42 117.00 130.74 2k5f n LEU 74 Ca 0.10 -4.07 -0.21 0.00 -0.03 0.00 0.00 56.01 51.81 2k5f n LEU 74 Cb 0.39 -1.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.06 2k5f n LEU 74 CO 0.62 1.77 -0.12 0.00 -1.33 0.00 0.00 177.39 178.33 2k5f h ALA 75 N 3.22 -0.01 -3.00 -1.18 0.00 -1.90 -3.47 119.26 112.92 2k5f h ALA 75 Ca 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2k5f h ALA 75 Cb 0.76 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k5f h ALA 75 CO 0.89 0.53 0.00 0.41 0.00 0.00 0.00 179.25 181.08 2k5f n GLY 76 N 1.69 1.11 2.06 0.00 0.00 -1.26 -5.13 105.19 103.67 2k5f n GLY 76 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2k5f n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k5f n ASP 77 N 0.00 -1.14 -2.31 1.61 2.03 -1.26 -5.14 116.55 110.34 2k5f n ASP 77 Ca 0.00 0.34 -0.04 0.00 0.52 0.00 0.00 54.79 55.60 2k5f n ASP 77 Cb 0.00 1.26 -0.04 0.00 -0.72 0.00 0.00 41.12 41.62 2k5f n ASP 77 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k5f n GLU 78 N -2.95 -3.43 -2.60 -0.67 4.71 -1.26 -4.84 120.64 109.60 2k5f n GLU 78 Ca 0.00 2.71 -0.43 0.00 -0.01 0.00 0.00 57.16 59.43 2k5f n GLU 78 Cb 0.00 -4.03 0.00 0.00 -1.01 0.00 0.00 31.44 26.40 2k5f n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k5f n GLY 79 N 1.26 2.72 3.19 0.62 0.00 -1.26 -4.89 105.19 106.84 2k5f n GLY 79 Ca -0.32 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2k5f n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5f s HIS 80 N 3.93 3.62 -0.26 1.61 5.04 -1.26 -5.05 115.29 122.92 2k5f s HIS 80 Ca 0.53 -2.48 -0.37 0.00 -1.54 0.00 0.00 55.06 51.20 2k5f s HIS 80 Cb 0.04 -3.46 -0.13 0.00 0.04 0.00 0.00 32.58 29.06 2k5f s HIS 80 CO 0.07 -0.89 1.92 -2.30 -2.34 0.00 0.00 174.74 171.20 2k5f n PRO 81 N 3.51 1.38 -4.24 2.88 -0.02 -1.26 -4.95 135.00 132.30 2k5f n PRO 81 Ca 0.12 0.47 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 2k5f n PRO 81 Cb 0.41 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 2k5f n PRO 81 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2k5f s HIS 82 N 4.88 1.65 0.00 6.00 -3.43 -1.26 -4.99 115.29 118.14 2k5f s HIS 82 Ca 1.01 -1.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2k5f s HIS 82 Cb -0.92 -0.58 0.00 0.00 -1.43 0.00 0.00 32.58 29.66 2k5f s HIS 82 CO 0.57 -0.96 0.00 0.41 -2.00 0.00 0.00 174.74 172.76 2k5f n GLY 83 N -0.64 0.68 3.76 -1.38 0.00 -1.26 -5.03 105.19 101.33 2k5f n GLY 83 Ca 0.06 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2k5f n GLY 83 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k5f s TRP 84 N -2.93 2.69 -0.83 1.61 -0.11 -1.26 -4.84 118.94 113.26 2k5f s TRP 84 Ca 0.00 1.46 -0.20 0.00 1.22 0.00 0.00 56.10 58.58 2k5f s TRP 84 Cb 0.00 -3.57 -0.19 0.00 -1.50 0.00 0.00 33.47 28.21 2k5f s TRP 84 CO 0.00 -2.05 2.16 -0.35 -4.62 0.00 0.00 176.95 172.09 2k5f n PRO 85 N -0.52 0.29 -3.16 5.86 -0.04 -1.26 -4.74 135.00 131.42 2k5f n PRO 85 Ca 0.07 -0.81 -0.04 0.00 -0.04 0.00 0.00 63.50 62.68 2k5f n PRO 85 Cb 0.46 -2.99 0.02 0.00 -0.04 0.00 0.00 33.50 30.95 2k5f n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5f n GLY 86 N 6.18 1.00 3.06 0.55 0.00 -1.26 -5.03 105.19 109.68 2k5f n GLY 86 Ca 0.45 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 2k5f n GLY 86 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k5f n PHE 87 N -0.47 -3.00 -3.83 1.61 7.35 -1.26 -5.04 117.46 112.81 2k5f n PHE 87 Ca -0.04 1.15 -0.15 0.00 -0.76 0.00 0.00 57.45 57.65 2k5f n PHE 87 Cb 0.44 -4.11 -0.16 0.00 0.35 0.00 0.00 39.48 36.01 2k5f n PHE 87 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2k5f s ARG 88 N -3.00 0.05 -0.35 -4.13 3.52 -1.26 -5.11 118.95 108.67 2k5f s ARG 88 Ca 0.01 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.79 2k5f s ARG 88 Cb -0.00 -0.25 0.18 0.00 -1.56 0.00 0.00 34.95 33.31 2k5f s ARG 88 CO 0.75 -0.12 0.54 0.50 -0.81 0.00 0.00 175.30 176.16 2k5f s ARG 89 N 0.83 0.64 -0.02 5.12 3.52 -1.26 -4.96 118.95 122.83 2k5f s ARG 89 Ca -0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 2k5f s ARG 89 Cb -0.10 -0.04 0.06 0.00 -1.56 0.00 0.00 34.95 33.32 2k5f s ARG 89 CO -0.02 -1.12 1.04 -2.13 -0.81 0.00 0.00 175.30 172.26 2k5f n ARG 90 N 4.87 0.08 -1.97 5.12 0.63 -1.26 -5.10 116.66 119.03 2k5f n ARG 90 Ca 0.07 -1.12 -0.42 0.00 -0.92 0.00 0.00 57.85 55.46 2k5f n ARG 90 Cb 0.53 0.44 -0.03 0.00 0.45 0.00 0.00 32.46 33.85 2k5f n ARG 90 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2k5f s HIS 91 N -0.01 1.73 0.52 -0.14 2.46 -1.26 -4.96 115.29 113.62 2k5f s HIS 91 Ca 0.04 0.67 -0.18 0.00 0.47 0.00 0.00 55.06 56.07 2k5f s HIS 91 Cb 0.06 -4.09 -0.07 0.00 -0.13 0.00 0.00 32.58 28.34 2k5f s HIS 91 CO -0.02 -2.91 1.01 -0.98 -2.47 0.00 0.00 174.74 169.36 2k5f s ARG 92 N 5.96 3.81 0.09 2.88 1.70 -1.26 -5.07 118.95 127.06 2k5f s ARG 92 Ca 0.80 1.10 0.10 0.00 -0.47 0.00 0.00 55.73 57.26 2k5f s ARG 92 Cb -0.21 -2.11 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 2k5f s ARG 92 CO 0.32 -0.39 -0.25 0.12 -1.08 0.00 0.00 175.30 174.02 2k5f s PHE 93 N -2.41 2.37 0.11 5.89 5.36 -1.26 -5.13 117.98 122.90 2k5f s PHE 93 Ca 0.62 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2k5f s PHE 93 Cb -0.12 -1.33 -0.05 0.00 -0.34 0.00 0.00 43.02 41.17 2k5f s PHE 93 CO 0.28 0.27 0.34 0.20 -1.46 0.00 0.00 175.22 174.85 2k5f s GLY 94 N -1.73 2.24 -0.19 13.12 0.00 -1.26 -5.09 107.32 114.41 2k5f s GLY 94 Ca 0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 2k5f s GLY 94 CO 0.05 -0.50 -0.03 0.54 0.00 0.00 0.00 173.10 173.16 2k5f s LYS 95 N -2.47 1.30 -0.29 2.90 -0.14 -1.26 -5.08 119.74 114.70 2k5f s LYS 95 Ca 0.38 -0.61 0.02 0.00 -1.36 0.00 0.00 55.97 54.40 2k5f s LYS 95 Cb -0.13 -2.16 0.16 0.00 -1.68 0.00 0.00 37.83 34.02 2k5f s LYS 95 CO 0.24 -0.52 0.41 0.50 -0.76 0.00 0.00 175.35 175.21 2k5f s ARG 96 N 1.62 0.41 0.51 1.68 3.52 -1.26 -5.15 118.95 120.29 2k5f s ARG 96 Ca -0.01 0.12 -0.20 0.00 -0.13 0.00 0.00 55.73 55.51 2k5f s ARG 96 Cb -0.17 -0.31 -0.07 0.00 -1.56 0.00 0.00 34.95 32.84 2k5f s ARG 96 CO -0.07 -1.03 1.06 0.00 -0.81 0.00 0.00 175.30 174.45 2k5f s ALA 97 N 2.54 2.81 -0.91 6.12 0.00 -1.26 -4.96 121.76 126.10 2k5f s ALA 97 Ca 0.10 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 2k5f s ALA 97 Cb -0.12 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.77 2k5f s ALA 97 CO -0.30 -0.48 1.36 -1.17 0.00 0.00 0.00 175.76 175.17 2k5f s LEU 98 N -3.67 3.50 -0.26 0.00 2.96 -1.26 -4.97 118.68 114.98 2k5f s LEU 98 Ca 0.68 -1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 2k5f s LEU 98 Cb -0.18 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2k5f s LEU 98 CO 0.23 -1.59 0.36 -1.83 -1.32 0.00 0.00 176.35 172.20 2k5f s GLU 99 N 5.07 4.03 0.00 1.98 -1.05 -1.26 -5.07 118.70 122.40 2k5f s GLU 99 Ca 0.41 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2k5f s GLU 99 Cb -0.04 -3.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.01 2k5f s GLU 99 CO -0.01 -0.24 0.00 0.72 0.95 0.00 0.00 175.26 176.68 2k5f n HIS 100 N 5.20 -1.83 -0.04 4.83 8.25 -1.26 -5.07 115.22 125.31 2k5f n HIS 100 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 2k5f n HIS 100 Cb 0.51 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.51 2k5f n HIS 100 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k5f h HIS 101 N 0.31 -0.02 -3.39 4.41 -0.00 -2.00 -3.44 115.15 111.02 2k5f h HIS 101 Ca 0.00 -0.00 -0.65 0.00 -0.00 0.00 0.00 60.37 59.72 2k5f h HIS 101 Cb 0.00 0.01 -0.23 0.00 -0.00 0.00 0.00 27.41 27.19 2k5f h HIS 101 CO 0.00 0.72 -0.71 -1.01 -0.00 0.00 0.00 177.93 176.94 2k5f s HIS 102 N -2.95 2.93 -0.10 2.45 3.76 -1.26 -4.98 115.29 115.14 2k5f s HIS 102 Ca -0.17 -0.35 0.15 0.00 -0.15 0.00 0.00 55.06 54.54 2k5f s HIS 102 Cb -0.01 -1.87 -0.10 0.00 1.11 0.00 0.00 32.58 31.71 2k5f s HIS 102 CO 0.64 -0.02 1.00 0.45 -0.85 0.00 0.00 174.74 175.96 2k5f h HIS 103 N 6.42 0.00 -4.49 1.40 -0.00 -2.02 -3.45 115.15 113.01 2k5f h HIS 103 Ca -0.33 0.00 -0.66 0.00 -0.00 0.00 0.00 60.37 59.38 2k5f h HIS 103 Cb 1.19 0.00 -0.29 0.00 -0.00 0.00 0.00 27.41 28.31 2k5f h HIS 103 CO 0.53 0.64 -0.87 -1.01 -0.00 0.00 0.00 177.93 177.22 2k5f s HIS 104 N -2.88 2.14 0.00 2.45 3.76 -1.26 -5.16 115.29 114.34 2k5f s HIS 104 Ca -0.01 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2k5f s HIS 104 Cb 0.08 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.42 2k5f s HIS 104 CO 0.80 -0.01 0.00 1.58 -0.85 0.00 0.00 174.74 176.26