#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 3.49 0.39 2.12 3.01 -1.26 -0.91 119.74 126.58 2k5f s LYS 2 Ca 0.00 -0.32 0.12 0.00 -1.01 0.00 0.00 55.97 54.76 2k5f s LYS 2 Cb 0.00 -2.66 0.80 0.00 -1.01 0.00 0.00 37.83 34.96 2k5f s LYS 2 CO 0.00 0.15 1.89 1.25 0.51 0.00 0.00 175.35 179.15 2k5f h LEU 3 N 0.79 0.09 -0.06 3.17 5.85 -0.44 -1.49 115.31 123.22 2k5f h LEU 3 Ca -0.50 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2k5f h LEU 3 Cb 1.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k5f h LEU 3 CO 0.62 0.34 0.00 -1.54 -0.34 0.00 0.00 178.44 177.52 2k5f n SER 4 N -4.22 0.18 0.00 1.25 3.41 -0.87 -2.42 113.62 110.97 2k5f n SER 4 Ca -0.02 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 2k5f n SER 4 Cb 0.32 -0.57 0.23 0.00 -0.26 0.00 0.00 64.21 63.93 2k5f n SER 4 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k5f n GLU 5 N -1.68 0.03 -1.59 4.33 -0.58 -0.57 -4.90 120.64 115.67 2k5f n GLU 5 Ca 0.05 0.01 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 2k5f n GLU 5 Cb 0.30 -1.52 0.15 0.00 -0.57 0.00 0.00 31.44 29.80 2k5f n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k5f s LEU 6 N -3.11 2.04 0.38 -4.62 1.43 -1.01 -4.96 118.68 108.82 2k5f s LEU 6 Ca 0.10 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.07 2k5f s LEU 6 Cb 0.17 -3.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 2k5f s LEU 6 CO 0.71 -2.67 0.02 -0.54 0.23 0.00 0.00 176.35 174.10 2k5f s LYS 7 N -5.42 1.85 -0.22 1.70 1.02 -1.26 -5.03 119.74 112.38 2k5f s LYS 7 Ca 0.66 -2.04 -0.28 0.00 0.02 0.00 0.00 55.97 54.32 2k5f s LYS 7 Cb -0.12 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 2k5f s LYS 7 CO 0.53 -0.09 1.97 0.00 -0.92 0.00 0.00 175.35 176.84 2k5f s ALA 8 N -2.91 2.94 0.00 5.17 0.00 -1.26 -1.00 121.76 124.70 2k5f s ALA 8 Ca 0.35 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2k5f s ALA 8 Cb 0.09 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2k5f s ALA 8 CO 0.17 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 173.86 2k5f n GLY 9 N 5.36 1.65 3.72 0.00 0.00 0.95 -5.01 105.19 111.86 2k5f n GLY 9 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.77 7.14 -0.12 1.61 1.01 -0.17 -4.77 116.67 119.61 2k5f s ASP 10 Ca 0.00 2.06 -0.05 0.00 0.71 0.00 0.00 52.55 55.27 2k5f s ASP 10 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k5f s ASP 10 CO 0.00 -0.38 0.06 -0.13 0.21 0.00 0.00 175.17 174.94 2k5f s ARG 11 N 0.46 3.33 0.16 8.23 3.00 -1.26 -1.12 118.95 131.74 2k5f s ARG 11 Ca 0.55 -0.29 -0.15 0.00 0.00 0.00 0.00 55.73 55.84 2k5f s ARG 11 Cb -0.30 -3.01 0.02 0.00 0.00 0.00 0.00 34.95 31.66 2k5f s ARG 11 CO 0.32 0.65 0.41 0.00 0.00 0.00 0.00 175.30 176.69 2k5f s ALA 12 N -0.71 -0.71 -0.12 2.13 0.00 0.22 -0.77 121.76 121.80 2k5f s ALA 12 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 2k5f s ALA 12 Cb -0.12 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2k5f s ALA 12 CO 0.03 -0.70 -0.08 -2.00 0.00 0.00 0.00 175.76 173.00 2k5f s GLU 13 N -3.87 3.33 -0.35 0.00 2.12 0.78 -0.73 118.70 119.98 2k5f s GLU 13 Ca 0.08 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 2k5f s GLU 13 Cb 0.01 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.69 2k5f s GLU 13 CO -0.06 0.34 1.29 0.08 -0.54 0.00 0.00 175.26 176.37 2k5f s VAL 14 N 0.07 4.11 -0.11 3.70 1.01 0.11 -0.94 120.40 128.35 2k5f s VAL 14 Ca -0.03 1.22 0.16 0.00 0.00 0.00 0.00 61.98 63.33 2k5f s VAL 14 Cb -0.14 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 31.85 2k5f s VAL 14 CO 0.04 -0.61 0.80 0.41 0.00 0.00 0.00 175.10 175.73 2k5f n THR 15 N 6.49 1.26 -3.53 3.92 -1.04 0.47 0.07 114.28 121.92 2k5f n THR 15 Ca 0.15 -0.71 -0.11 0.00 -2.04 0.00 0.00 64.05 61.33 2k5f n THR 15 Cb 0.47 -0.79 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 2k5f n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2k5f s SER 16 N -5.83 -0.44 -0.23 8.00 0.15 -0.77 -4.77 113.70 109.81 2k5f s SER 16 Ca -0.03 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2k5f s SER 16 Cb 0.09 0.40 0.06 0.00 -1.71 0.00 0.00 66.02 64.86 2k5f s SER 16 CO 0.81 -0.54 -0.04 -0.69 1.20 0.00 0.00 173.24 173.98 2k5f s VAL 17 N -1.99 1.40 -0.53 4.45 1.01 -1.26 -0.01 120.40 123.47 2k5f s VAL 17 Ca -0.01 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 2k5f s VAL 17 Cb -0.01 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.77 2k5f s VAL 17 CO -0.01 -0.12 0.55 0.00 0.00 0.00 0.00 175.10 175.52 2k5f s ALA 18 N 1.46 3.51 0.31 5.51 0.00 -0.70 -4.91 121.76 126.94 2k5f s ALA 18 Ca -0.05 -2.18 -0.12 0.00 0.00 0.00 0.00 51.96 49.60 2k5f s ALA 18 Cb -0.19 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2k5f s ALA 18 CO -0.06 -2.03 0.60 0.00 0.00 0.00 0.00 175.76 174.27 2k5f s ALA 19 N 2.11 -0.29 0.41 0.00 0.00 -1.26 -4.05 121.76 118.69 2k5f s ALA 19 Ca 0.08 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 2k5f s ALA 19 Cb -0.25 0.95 -0.10 0.00 0.00 0.00 0.00 23.12 23.72 2k5f s ALA 19 CO 0.07 -0.91 1.33 -1.91 0.00 0.00 0.00 175.76 174.34 2k5f n GLU 20 N -0.48 2.11 -0.27 0.00 0.00 -1.26 -4.67 120.64 116.07 2k5f n GLU 20 Ca -0.03 0.75 0.00 0.00 0.00 0.00 0.00 57.16 57.88 2k5f n GLU 20 Cb 0.61 -2.46 0.07 0.00 0.00 0.00 0.00 31.44 29.66 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 2k5f h PRO 21 N 2.29 -0.03 -0.22 5.31 0.10 -2.00 0.51 132.00 137.95 2k5f h PRO 21 Ca -0.49 0.00 -0.10 0.00 0.10 0.00 0.00 66.00 65.52 2k5f h PRO 21 Cb 1.28 0.01 -0.00 0.00 0.10 0.00 0.00 31.00 32.39 2k5f h PRO 21 CO 0.61 -0.02 -0.23 0.00 0.10 0.00 0.00 178.00 178.45 2k5f h ALA 22 N 1.59 0.33 -0.56 -0.75 0.00 -1.98 -1.83 119.26 116.06 2k5f h ALA 22 Ca 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k5f h ALA 22 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k5f h ALA 22 CO -0.79 0.30 0.18 0.28 0.00 0.00 0.00 179.25 179.22 2k5f h VAL 23 N 0.25 1.24 0.20 0.00 2.07 -1.67 0.16 116.25 118.49 2k5f h VAL 23 Ca 0.03 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2k5f h VAL 23 Cb 0.79 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2k5f h VAL 23 CO 0.06 0.29 -0.10 -0.09 0.02 0.00 0.00 177.57 177.75 2k5f h ARG 24 N 0.78 -0.27 0.00 1.57 2.43 -0.00 -1.00 114.38 117.89 2k5f h ARG 24 Ca 0.18 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 2k5f h ARG 24 Cb 0.27 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2k5f h ARG 24 CO -0.01 -0.13 -0.36 -0.09 -1.51 0.00 0.00 179.97 177.88 2k5f h ARG 25 N -0.33 0.00 -0.25 0.20 2.43 -1.22 -0.54 114.38 114.67 2k5f h ARG 25 Ca -0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2k5f h ARG 25 Cb 0.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2k5f h ARG 25 CO 0.05 0.36 0.06 -0.09 -1.51 0.00 0.00 179.97 178.83 2k5f h ARG 26 N 0.00 0.40 -0.71 0.20 2.43 -0.44 0.13 114.38 116.39 2k5f h ARG 26 Ca -0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2k5f h ARG 26 Cb 0.88 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 2k5f h ARG 26 CO 0.05 0.50 0.32 -0.07 -1.51 0.00 0.00 179.97 179.27 2k5f h LEU 27 N 0.23 0.94 -1.00 3.80 3.38 -0.74 -1.08 115.31 120.83 2k5f h LEU 27 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2k5f h LEU 27 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2k5f h LEU 27 CO 0.00 0.82 0.24 0.24 0.09 0.00 0.00 178.44 179.83 2k5f h MET 28 N 0.99 0.97 -0.23 1.13 2.86 -0.82 0.29 114.93 120.11 2k5f h MET 28 Ca 0.24 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2k5f h MET 28 Cb 0.14 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2k5f h MET 28 CO -0.03 0.80 -0.14 0.22 1.06 0.00 0.00 176.91 178.83 2k5f h ASP 29 N 0.94 0.37 0.28 1.22 3.58 -0.24 -2.28 116.42 120.30 2k5f h ASP 29 Ca 0.22 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 2k5f h ASP 29 Cb 0.21 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2k5f h ASP 29 CO -0.02 0.54 -0.60 -0.07 -2.88 0.00 0.00 179.24 176.22 2k5f h LEU 30 N 0.36 0.36 0.00 2.28 3.38 -0.32 -3.47 115.31 117.90 2k5f h LEU 30 Ca 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k5f h LEU 30 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k5f h LEU 30 CO 0.03 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2k5f n GLY 31 N 0.28 -0.40 3.40 0.83 0.00 -0.20 -4.87 105.19 104.23 2k5f n GLY 31 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 5.74 0.54 0.99 0.20 0.86 -4.75 118.68 122.26 2k5f s LEU 32 Ca 0.00 -2.94 0.06 0.00 0.69 0.00 0.00 54.13 51.94 2k5f s LEU 32 Cb 0.00 -2.31 0.04 0.00 -0.43 0.00 0.00 46.19 43.49 2k5f s LEU 32 CO 0.00 -0.64 0.41 0.68 -0.29 0.00 0.00 176.35 176.51 2k5f s VAL 33 N 0.69 1.67 -0.25 1.68 -7.23 -1.26 -2.55 120.40 113.14 2k5f s VAL 33 Ca 0.33 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.72 2k5f s VAL 33 Cb -0.07 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 2k5f s VAL 33 CO -0.06 0.00 1.47 -0.60 -0.31 0.00 0.00 175.10 175.60 2k5f s ARG 34 N -4.29 3.87 0.00 4.82 3.52 -1.26 -1.60 118.95 124.00 2k5f s ARG 34 Ca 0.34 1.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 2k5f s ARG 34 Cb -0.02 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2k5f s ARG 34 CO 0.21 -1.19 0.00 0.41 -0.81 0.00 0.00 175.30 173.92 2k5f n GLY 35 N 4.47 0.69 3.78 8.12 0.00 0.11 -5.02 105.19 117.34 2k5f n GLY 35 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.08 -0.14 4.61 0.00 -0.63 -4.76 121.76 121.92 2k5f s ALA 36 Ca 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 2k5f s ALA 36 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2k5f s ALA 36 CO 0.00 -0.24 -0.13 0.15 0.00 0.00 0.00 175.76 175.53 2k5f s LYS 37 N -2.51 3.32 0.21 0.00 1.02 -1.26 0.10 119.74 120.62 2k5f s LYS 37 Ca 0.58 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.83 2k5f s LYS 37 Cb -0.22 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 2k5f s LYS 37 CO 0.28 0.12 0.20 -0.48 -0.92 0.00 0.00 175.35 174.55 2k5f s LEU 38 N 0.59 1.00 -0.05 3.17 0.05 0.09 -1.90 118.68 121.64 2k5f s LEU 38 Ca -0.08 -1.28 0.02 0.00 0.05 0.00 0.00 54.13 52.84 2k5f s LEU 38 Cb -0.16 0.67 0.01 0.00 -2.05 0.00 0.00 46.19 44.67 2k5f s LEU 38 CO 0.03 -0.90 -0.10 -0.75 -0.55 0.00 0.00 176.35 174.08 2k5f s LYS 39 N -4.12 1.28 -0.09 1.48 2.20 -0.67 -0.61 119.74 119.20 2k5f s LYS 39 Ca 0.35 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.33 2k5f s LYS 39 Cb 0.05 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.21 2k5f s LYS 39 CO 0.11 0.05 1.53 0.08 -0.36 0.00 0.00 175.35 176.76 2k5f s VAL 40 N 0.49 3.80 -0.06 4.02 1.01 -0.28 -0.67 120.40 128.72 2k5f s VAL 40 Ca -0.09 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 2k5f s VAL 40 Cb -0.13 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2k5f s VAL 40 CO 0.02 -0.09 -0.01 -0.07 0.00 0.00 0.00 175.10 174.94 2k5f h LEU 41 N 10.12 0.00 -7.45 3.92 3.38 -1.05 0.27 115.31 124.50 2k5f h LEU 41 Ca -0.35 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 2k5f h LEU 41 Cb 1.15 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 2k5f h LEU 41 CO 0.96 0.29 -0.19 -0.13 0.09 0.00 0.00 178.44 179.46 2k5f s ARG 42 N -1.35 0.79 -0.15 1.13 1.81 -0.97 -4.23 118.95 115.98 2k5f s ARG 42 Ca -0.01 -0.27 -0.05 0.00 -1.72 0.00 0.00 55.73 53.68 2k5f s ARG 42 Cb 0.00 0.35 -0.03 0.00 -0.45 0.00 0.00 34.95 34.82 2k5f s ARG 42 CO 0.01 -0.24 -0.00 -0.06 -0.68 0.00 0.00 175.30 174.33 2k5f s PHE 43 N -1.89 3.11 0.90 -0.53 0.40 -1.26 -1.41 117.98 117.30 2k5f s PHE 43 Ca -0.09 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 2k5f s PHE 43 Cb -0.03 -1.97 0.10 0.00 0.51 0.00 0.00 43.02 41.63 2k5f s PHE 43 CO 0.01 0.08 0.91 0.00 0.70 0.00 0.00 175.22 176.92 2k5f n ALA 44 N 3.36 -1.26 0.09 5.36 0.00 -0.90 -4.79 120.51 122.38 2k5f n ALA 44 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2k5f n ALA 44 Cb 0.52 -2.07 0.02 0.00 0.00 0.00 0.00 19.45 17.92 2k5f n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k5f n PRO 45 N -3.19 0.05 -0.12 0.00 -0.04 -1.26 -0.55 135.00 129.88 2k5f n PRO 45 Ca 0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2k5f n PRO 45 Cb 0.52 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.67 0.82 -0.32 1.53 4.77 -1.26 -4.98 117.00 116.89 2k5f n LEU 46 Ca 0.00 -1.15 -0.04 0.00 -0.03 0.00 0.00 56.01 54.79 2k5f n LEU 46 Cb 0.00 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2k5f n LEU 46 CO 0.00 0.28 -0.04 0.61 -1.33 0.00 0.00 177.39 176.91 2k5f n GLY 47 N -0.33 0.64 3.65 -0.72 0.00 0.29 -4.93 105.19 103.79 2k5f n GLY 47 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 -0.24 1.00 1.61 2.15 -1.26 -4.58 116.67 112.96 2k5f s ASP 48 Ca 0.00 0.40 -0.09 0.00 0.43 0.00 0.00 52.55 53.29 2k5f s ASP 48 Cb 0.00 0.90 0.13 0.00 -0.30 0.00 0.00 42.92 43.65 2k5f s ASP 48 CO 0.00 -0.07 0.74 -0.81 -0.17 0.00 0.00 175.17 174.86 2k5f n PRO 49 N 2.92 -0.74 -5.22 4.34 -0.04 -1.26 -4.67 135.00 130.33 2k5f n PRO 49 Ca -0.16 -1.14 -0.31 0.00 -0.04 0.00 0.00 63.50 61.85 2k5f n PRO 49 Cb 0.57 -0.76 -0.16 0.00 -0.04 0.00 0.00 33.50 33.10 2k5f n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k5f s ILE 50 N -2.61 1.98 -0.19 0.52 1.01 -0.16 -2.11 121.20 119.65 2k5f s ILE 50 Ca 0.42 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2k5f s ILE 50 Cb -0.01 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2k5f s ILE 50 CO 0.29 0.55 -0.05 -1.61 0.00 0.00 0.00 174.94 174.13 2k5f s GLU 51 N -0.12 3.48 0.04 2.79 2.02 -0.50 -2.05 118.70 124.36 2k5f s GLU 51 Ca -0.04 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.39 2k5f s GLU 51 Cb -0.14 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 2k5f s GLU 51 CO 0.04 0.01 -0.12 0.14 0.02 0.00 0.00 175.26 175.35 2k5f s VAL 52 N 0.95 0.90 -0.50 2.63 -7.23 -0.24 -0.41 120.40 116.50 2k5f s VAL 52 Ca -0.00 -0.96 -0.17 0.00 -1.81 0.00 0.00 61.98 59.04 2k5f s VAL 52 Cb -0.15 -0.84 0.08 0.00 0.56 0.00 0.00 36.38 36.03 2k5f s VAL 52 CO 0.01 -0.10 0.50 0.21 -0.31 0.00 0.00 175.10 175.41 2k5f s ASN 53 N -1.19 6.18 -0.34 4.85 2.47 0.15 0.06 114.94 127.13 2k5f s ASN 53 Ca -0.01 -1.26 -0.07 0.00 0.42 0.00 0.00 52.86 51.93 2k5f s ASN 53 Cb -0.08 -2.23 0.03 0.00 -1.45 0.00 0.00 41.25 37.53 2k5f s ASN 53 CO 0.01 -0.78 0.11 0.00 -3.72 0.00 0.00 177.10 172.72 2k5f n ASN 55 N 4.84 -5.39 0.00 0.00 3.02 -0.80 -1.01 115.26 115.92 2k5f n ASN 55 Ca -0.13 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2k5f n ASN 55 Cb 0.45 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5f n GLY 56 N -0.90 0.61 3.48 7.41 0.00 -1.26 -5.05 105.19 109.48 2k5f n GLY 56 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2k5f n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k5f s MET 57 N -0.80 3.70 -0.53 1.61 -1.94 -0.18 -5.06 119.30 116.11 2k5f s MET 57 Ca 0.00 -0.47 -0.28 0.00 -1.71 0.00 0.00 55.69 53.24 2k5f s MET 57 Cb 0.00 -3.23 0.03 0.00 2.01 0.00 0.00 34.83 33.64 2k5f s MET 57 CO 0.00 -0.04 1.12 -0.51 -0.01 0.00 0.00 175.02 175.58 2k5f s LEU 58 N 1.20 3.64 0.10 -0.03 1.02 -1.26 0.05 118.68 123.38 2k5f s LEU 58 Ca 0.04 0.18 0.04 0.00 0.02 0.00 0.00 54.13 54.41 2k5f s LEU 58 Cb -0.14 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.76 2k5f s LEU 58 CO 0.03 -1.33 0.08 -0.76 0.02 0.00 0.00 176.35 174.39 2k5f s LEU 59 N 4.56 3.78 -0.08 1.79 1.43 0.11 -4.95 118.68 125.31 2k5f s LEU 59 Ca 0.43 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2k5f s LEU 59 Cb -0.08 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.72 2k5f s LEU 59 CO 0.27 0.15 -0.02 -0.89 0.23 0.00 0.00 176.35 176.09 2k5f s THR 60 N -1.45 0.56 0.41 5.49 2.01 -1.26 -1.08 115.64 120.32 2k5f s THR 60 Ca 0.29 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.34 2k5f s THR 60 Cb -0.12 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 2k5f s THR 60 CO 0.22 0.29 0.16 0.00 -0.69 0.00 0.00 174.62 174.59 2k5f s MET 61 N 1.86 1.93 0.43 4.92 0.23 -0.87 -4.98 119.30 122.82 2k5f s MET 61 Ca 0.04 -2.18 -0.04 0.00 -1.03 0.00 0.00 55.69 52.48 2k5f s MET 61 Cb -0.12 -0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 32.67 2k5f s MET 61 CO -0.06 -0.53 0.71 1.03 -2.03 0.00 0.00 175.02 174.15 2k5f s ARG 62 N -3.65 3.56 0.28 3.16 1.81 -1.26 -0.98 118.95 121.87 2k5f s ARG 62 Ca 0.25 0.09 0.02 0.00 -1.72 0.00 0.00 55.73 54.38 2k5f s ARG 62 Cb 0.02 -2.47 0.61 0.00 -0.45 0.00 0.00 34.95 32.66 2k5f s ARG 62 CO 0.16 -0.07 1.80 -0.09 -0.68 0.00 0.00 175.30 176.42 2k5f h ARG 63 N 0.59 0.80 -0.04 3.54 2.43 -1.90 -0.22 114.38 119.57 2k5f h ARG 63 Ca -0.48 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 2k5f h ARG 63 Cb 1.20 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2k5f h ARG 63 CO 0.62 0.53 -0.19 -2.95 -1.51 0.00 0.00 179.97 176.47 2k5f h ASN 64 N 0.82 0.07 -0.25 -3.80 -1.07 -1.93 -2.29 115.58 107.13 2k5f h ASN 64 Ca 0.52 -0.01 -0.18 0.00 0.07 0.00 0.00 56.30 56.69 2k5f h ASN 64 Cb 0.67 -0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 36.90 2k5f h ASN 64 CO -0.33 0.27 -0.55 -0.33 0.07 0.00 0.00 177.43 176.56 2k5f h GLU 65 N 0.07 0.84 0.00 4.14 4.39 -1.40 -2.83 114.58 119.79 2k5f h GLU 65 Ca 0.01 -0.54 -0.05 0.00 0.34 0.00 0.00 59.36 59.13 2k5f h GLU 65 Cb 0.38 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2k5f h GLU 65 CO 0.03 1.17 -0.23 0.00 -1.16 0.00 0.00 179.01 178.81 2k5f h ALA 66 N 0.72 1.33 -0.53 3.43 0.00 -1.16 -1.34 119.26 121.72 2k5f h ALA 66 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2k5f h ALA 66 Cb 1.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2k5f h ALA 66 CO 0.12 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.60 2k5f h GLU 67 N 0.00 0.90 -0.33 0.00 5.08 -1.20 -2.25 114.58 116.79 2k5f h GLU 67 Ca -0.00 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 2k5f h GLU 67 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k5f h GLU 67 CO 0.03 0.90 -0.24 0.78 -1.00 0.00 0.00 179.01 179.48 2k5f h GLY 68 N 0.99 0.70 -5.13 -3.84 0.00 -1.07 -3.44 103.07 91.29 2k5f h GLY 68 Ca 0.16 -0.59 -0.57 0.00 0.00 0.00 0.00 47.33 46.33 2k5f h GLY 68 CO 0.02 0.54 0.90 -0.42 0.00 0.00 0.00 176.54 177.58 2k5f s ILE 69 N -4.55 4.23 -0.20 2.60 1.01 -0.85 -1.72 121.20 121.71 2k5f s ILE 69 Ca -0.08 1.49 -0.09 0.00 0.00 0.00 0.00 60.65 61.97 2k5f s ILE 69 Cb 0.13 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2k5f s ILE 69 CO 0.82 -0.12 0.12 -0.89 0.00 0.00 0.00 174.94 174.86 2k5f s THR 70 N 3.45 5.24 0.10 2.92 2.01 0.98 -0.38 115.64 129.96 2k5f s THR 70 Ca 0.56 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.71 2k5f s THR 70 Cb -0.23 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2k5f s THR 70 CO 0.16 0.43 -0.06 0.68 -0.69 0.00 0.00 174.62 175.14 2k5f s VAL 71 N 0.51 0.64 -0.09 3.82 -7.23 -0.09 -0.39 120.40 117.57 2k5f s VAL 71 Ca 0.07 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.35 2k5f s VAL 71 Cb -0.12 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 2k5f s VAL 71 CO -0.00 -0.86 -0.23 -1.38 -0.31 0.00 0.00 175.10 172.32 2k5f s HIS 72 N -3.66 2.47 0.25 2.82 -3.43 -0.12 -4.06 115.29 109.56 2k5f s HIS 72 Ca 0.12 -0.96 -0.31 0.00 -0.80 0.00 0.00 55.06 53.11 2k5f s HIS 72 Cb 0.06 -1.65 -0.11 0.00 -1.43 0.00 0.00 32.58 29.44 2k5f s HIS 72 CO -0.05 -0.38 1.60 0.42 -2.00 0.00 0.00 174.74 174.34 2k5f s ILE 73 N 0.27 2.21 -1.27 -5.38 1.01 -1.26 -0.15 121.20 116.62 2k5f s ILE 73 Ca -0.16 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 2k5f s ILE 73 Cb -0.17 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2k5f s ILE 73 CO 0.08 0.02 1.85 0.18 0.00 0.00 0.00 174.94 177.07 2k5f n LEU 74 N 2.87 4.78 0.00 2.97 4.77 0.05 -3.20 117.00 129.25 2k5f n LEU 74 Ca 0.11 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.33 2k5f n LEU 74 Cb 0.37 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 2k5f n LEU 74 CO 0.63 -0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 2k5f n ALA 75 N 9.25 0.00 0.00 -1.18 0.00 -1.26 -4.91 120.51 122.41 2k5f n ALA 75 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2k5f n ALA 75 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2k5f n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5f n GLY 76 N -0.13 3.40 3.46 0.00 0.00 -1.19 -5.14 105.19 105.59 2k5f n GLY 76 Ca 0.00 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 2k5f n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 77 N 0.00 3.66 0.00 1.61 2.15 -1.26 -5.01 116.67 117.82 2k5f s ASP 77 Ca 0.00 -0.70 0.29 0.00 0.43 0.00 0.00 52.55 52.57 2k5f s ASP 77 Cb 0.00 -0.40 1.35 0.00 -0.30 0.00 0.00 42.92 43.57 2k5f s ASP 77 CO 0.00 0.15 1.92 -0.62 -0.17 0.00 0.00 175.17 176.45 2k5f n GLU 78 N 0.56 1.05 -2.69 4.34 1.02 -1.26 -4.57 120.64 119.09 2k5f n GLU 78 Ca -0.15 -0.38 -0.02 0.00 -0.02 0.00 0.00 57.16 56.60 2k5f n GLU 78 Cb 0.54 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 2k5f n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k5f s GLY 79 N -2.21 -1.84 -0.60 0.62 0.00 -1.26 -5.09 107.32 96.94 2k5f s GLY 79 Ca 0.37 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.87 2k5f s GLY 79 CO 0.41 4.31 0.37 -2.38 0.00 0.00 0.00 173.10 175.81 2k5f s HIS 80 N 1.20 3.24 -0.48 1.90 -3.43 -1.26 -5.07 115.29 111.39 2k5f s HIS 80 Ca 0.22 -3.19 -0.20 0.00 -0.80 0.00 0.00 55.06 51.09 2k5f s HIS 80 Cb 0.11 -2.67 0.04 0.00 -1.43 0.00 0.00 32.58 28.63 2k5f s HIS 80 CO -0.12 -0.66 0.64 -1.25 -2.00 0.00 0.00 174.74 171.35 2k5f s PRO 81 N -0.78 3.18 -0.97 -0.38 0.04 -1.26 -5.00 135.00 129.83 2k5f s PRO 81 Ca 0.21 -0.66 -0.22 0.00 0.04 0.00 0.00 61.00 60.36 2k5f s PRO 81 Cb -0.16 -4.03 0.07 0.00 0.04 0.00 0.00 34.50 30.42 2k5f s PRO 81 CO -0.08 -1.14 1.35 -1.58 0.04 0.00 0.00 177.00 175.60 2k5f s HIS 82 N 2.74 2.66 -0.46 0.56 2.46 -1.26 -4.83 115.29 117.16 2k5f s HIS 82 Ca 0.18 -0.92 0.06 0.00 0.47 0.00 0.00 55.06 54.85 2k5f s HIS 82 Cb -0.17 -4.59 0.21 0.00 -0.13 0.00 0.00 32.58 27.90 2k5f s HIS 82 CO 0.15 -1.84 0.47 0.41 -2.47 0.00 0.00 174.74 171.46 2k5f n GLY 83 N 6.44 2.89 3.88 1.59 0.00 -1.26 -5.11 105.19 113.62 2k5f n GLY 83 Ca 0.28 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.85 3.53 0.00 1.61 -0.00 -1.26 -5.11 118.94 116.86 2k5f s TRP 84 Ca 0.34 0.38 0.00 0.00 -0.00 0.00 0.00 56.10 56.82 2k5f s TRP 84 Cb 0.09 -1.85 0.00 0.00 -0.00 0.00 0.00 33.47 31.72 2k5f s TRP 84 CO -0.14 0.66 0.00 -2.30 -0.00 0.00 0.00 176.95 175.17 2k5f n PRO 85 N 1.24 -0.08 -4.08 5.86 -0.02 -1.26 -5.09 135.00 131.58 2k5f n PRO 85 Ca -0.13 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.21 2k5f n PRO 85 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.89 2k5f n PRO 85 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k5f s GLY 86 N -1.62 0.40 -0.28 -1.23 0.00 -1.26 -5.12 107.32 98.22 2k5f s GLY 86 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 44.72 43.90 2k5f s GLY 86 CO 0.00 -0.59 0.88 -0.12 0.00 0.00 0.00 173.10 173.26 2k5f s PHE 87 N -0.97 3.25 0.05 1.90 5.36 -1.26 -5.03 117.98 121.27 2k5f s PHE 87 Ca -0.06 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.98 2k5f s PHE 87 Cb -0.07 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 2k5f s PHE 87 CO 0.00 -0.53 0.11 -0.98 -1.46 0.00 0.00 175.22 172.36 2k5f s ARG 88 N 3.06 3.08 0.24 10.12 1.70 -1.26 -5.11 118.95 130.78 2k5f s ARG 88 Ca 0.37 -0.56 0.05 0.00 -0.47 0.00 0.00 55.73 55.12 2k5f s ARG 88 Cb -0.14 -2.85 -0.02 0.00 -0.57 0.00 0.00 34.95 31.36 2k5f s ARG 88 CO 0.10 0.61 0.19 2.89 -1.08 0.00 0.00 175.30 178.01 2k5f n ARG 89 N 0.66 0.32 -2.36 3.89 0.00 -1.26 -5.17 116.66 112.75 2k5f n ARG 89 Ca -0.09 -2.34 -0.24 0.00 -0.00 0.00 0.00 57.85 55.18 2k5f n ARG 89 Cb 0.52 1.85 0.05 0.00 -0.00 0.00 0.00 32.46 34.89 2k5f n ARG 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2k5f s ARG 90 N -2.96 2.37 -0.36 2.89 0.52 -1.26 -4.97 118.95 115.18 2k5f s ARG 90 Ca 0.27 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2k5f s ARG 90 Cb 0.01 -2.28 0.47 0.00 0.52 0.00 0.00 34.95 33.67 2k5f s ARG 90 CO 0.19 -1.02 1.74 0.72 0.02 0.00 0.00 175.30 176.94 2k5f n HIS 91 N -2.71 2.29 0.00 -0.53 8.25 -1.26 -4.93 115.22 116.34 2k5f n HIS 91 Ca 0.08 -1.66 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 2k5f n HIS 91 Cb 0.60 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.87 2k5f n HIS 91 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k5f n ARG 92 N -0.64 0.00 -3.02 -0.41 1.74 -1.26 -4.77 116.66 108.30 2k5f n ARG 92 Ca 0.45 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.44 2k5f n ARG 92 Cb 1.24 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.69 2k5f n ARG 92 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k5f n PHE 93 N 0.00 -3.20 -3.84 -1.55 7.35 -1.26 -5.06 117.46 109.90 2k5f n PHE 93 Ca 0.00 1.27 -0.09 0.00 -0.76 0.00 0.00 57.45 57.87 2k5f n PHE 93 Cb 0.00 -3.87 -0.07 0.00 0.35 0.00 0.00 39.48 35.89 2k5f n PHE 93 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2k5f s GLY 94 N -2.67 0.07 -0.03 7.13 0.00 -1.26 -5.10 107.32 105.46 2k5f s GLY 94 Ca 0.16 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 44.23 2k5f s GLY 94 CO 0.78 -0.76 -0.16 0.28 0.00 0.00 0.00 173.10 173.24 2k5f n LYS 95 N -0.08 0.24 -2.89 2.90 5.02 -1.26 -5.08 118.16 117.01 2k5f n LYS 95 Ca -0.15 0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 2k5f n LYS 95 Cb 0.63 -0.92 0.01 0.00 -0.02 0.00 0.00 35.03 34.73 2k5f n LYS 95 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2k5f n ARG 96 N -3.91 -2.35 -3.49 1.97 3.00 -1.26 -5.00 116.66 105.61 2k5f n ARG 96 Ca -0.06 2.09 -0.36 0.00 -0.00 0.00 0.00 57.85 59.51 2k5f n ARG 96 Cb 0.24 -5.52 -0.06 0.00 0.00 0.00 0.00 32.46 27.12 2k5f n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k5f s ALA 97 N -2.56 3.68 -0.07 5.13 0.00 -1.26 -5.09 121.76 121.59 2k5f s ALA 97 Ca 0.25 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.98 2k5f s ALA 97 Cb -0.07 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.68 2k5f s ALA 97 CO 0.77 0.51 -0.13 -0.51 0.00 0.00 0.00 175.76 176.40 2k5f s LEU 98 N -1.59 1.63 0.75 0.00 1.02 -1.26 -5.14 118.68 114.09 2k5f s LEU 98 Ca 0.31 -0.32 -0.05 0.00 0.02 0.00 0.00 54.13 54.09 2k5f s LEU 98 Cb -0.15 -0.87 0.12 0.00 0.02 0.00 0.00 46.19 45.30 2k5f s LEU 98 CO 0.17 0.03 1.05 -1.83 0.02 0.00 0.00 176.35 175.78 2k5f s GLU 99 N 0.76 1.64 -0.09 1.70 1.03 -1.26 -5.11 118.70 117.37 2k5f s GLU 99 Ca -0.13 -0.76 -0.04 0.00 0.03 0.00 0.00 54.97 54.08 2k5f s GLU 99 Cb -0.16 -2.21 0.05 0.00 -0.80 0.00 0.00 34.13 31.01 2k5f s GLU 99 CO 0.03 -1.55 0.20 -1.58 -1.33 0.00 0.00 175.26 171.03 2k5f s HIS 100 N -3.29 -0.26 0.71 4.83 2.46 -1.26 -5.16 115.29 113.32 2k5f s HIS 100 Ca 0.66 0.69 -0.11 0.00 0.47 0.00 0.00 55.06 56.76 2k5f s HIS 100 Cb -0.07 -0.06 0.01 0.00 -0.13 0.00 0.00 32.58 32.34 2k5f s HIS 100 CO 0.46 -0.24 1.08 -3.38 -2.47 0.00 0.00 174.74 170.19 2k5f s HIS 101 N 1.58 3.24 -0.13 3.88 -3.43 -1.26 -4.71 115.29 114.46 2k5f s HIS 101 Ca -0.06 1.19 -0.07 0.00 -0.80 0.00 0.00 55.06 55.32 2k5f s HIS 101 Cb -0.11 -2.97 0.03 0.00 -1.43 0.00 0.00 32.58 28.09 2k5f s HIS 101 CO -0.07 -1.22 0.14 1.58 -2.00 0.00 0.00 174.74 173.17 2k5f n HIS 102 N -3.07 -2.84 -4.04 0.38 -0.00 -1.26 -5.10 115.22 99.28 2k5f n HIS 102 Ca 0.07 1.61 -0.09 0.00 -0.00 0.00 0.00 57.72 59.31 2k5f n HIS 102 Cb 0.56 -3.06 -0.09 0.00 -0.00 0.00 0.00 29.99 27.40 2k5f n HIS 102 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5f s HIS 103 N -0.50 0.54 -0.19 1.57 -0.00 -1.26 -5.03 115.29 110.43 2k5f s HIS 103 Ca -0.16 -0.98 -0.03 0.00 -0.00 0.00 0.00 55.06 53.89 2k5f s HIS 103 Cb 0.01 -0.30 0.01 0.00 -0.00 0.00 0.00 32.58 32.31 2k5f s HIS 103 CO 0.51 -0.52 0.06 0.72 -0.00 0.00 0.00 174.74 175.50 2k5f n HIS 104 N -0.05 -2.93 1.71 0.38 8.25 -1.26 -5.29 115.22 116.03 2k5f n HIS 104 Ca -0.10 1.44 0.14 0.00 -0.26 0.00 0.00 57.72 58.93 2k5f n HIS 104 Cb 0.63 -3.25 0.81 0.00 1.12 0.00 0.00 29.99 29.29 2k5f n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56