#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 3.61 0.41 2.12 3.01 -1.26 -1.15 119.74 126.48 2k5f s LYS 2 Ca 0.00 0.53 0.14 0.00 -1.01 0.00 0.00 55.97 55.63 2k5f s LYS 2 Cb 0.00 -2.22 0.88 0.00 -1.01 0.00 0.00 37.83 35.48 2k5f s LYS 2 CO 0.00 -0.37 1.91 1.25 0.51 0.00 0.00 175.35 178.65 2k5f h LEU 3 N 0.08 0.00 -0.06 3.17 5.85 -0.48 -2.01 115.31 121.87 2k5f h LEU 3 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2k5f h LEU 3 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2k5f h LEU 3 CO 0.62 0.27 0.00 -1.54 -0.34 0.00 0.00 178.44 177.45 2k5f n SER 4 N -4.18 0.14 -0.06 1.25 3.41 -1.15 -2.59 113.62 110.44 2k5f n SER 4 Ca -0.02 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.22 2k5f n SER 4 Cb 0.33 -0.56 0.13 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.64 0.19 -1.19 4.33 1.02 -0.76 -4.91 120.64 117.67 2k5f n GLU 5 Ca 0.05 -0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 2k5f n GLU 5 Cb 0.28 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.33 2k5f n GLU 5 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k5f s LEU 6 N -2.90 2.51 -0.06 -4.62 1.43 -1.07 -4.97 118.68 108.99 2k5f s LEU 6 Ca 0.12 1.62 0.14 0.00 -1.03 0.00 0.00 54.13 54.98 2k5f s LEU 6 Cb 0.17 -4.12 0.26 0.00 0.03 0.00 0.00 46.19 42.53 2k5f s LEU 6 CO 0.72 -2.49 1.12 2.29 0.23 0.00 0.00 176.35 178.23 2k5f n LYS 7 N -3.80 0.51 -0.77 1.70 2.85 -1.26 -5.08 118.16 112.31 2k5f n LYS 7 Ca 0.08 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.33 2k5f n LYS 7 Cb 0.54 -0.72 0.00 0.00 -0.65 0.00 0.00 35.03 34.21 2k5f n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k5f n ALA 8 N -0.29 -1.96 -0.79 0.58 0.00 -1.26 -4.85 120.51 111.94 2k5f n ALA 8 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2k5f n ALA 8 Cb 0.83 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2k5f n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5f n GLY 9 N -0.69 0.73 3.62 0.00 0.00 0.11 -4.98 105.19 103.97 2k5f n GLY 9 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.42 5.74 -0.26 1.61 1.01 -1.26 -4.94 116.67 116.15 2k5f s ASP 10 Ca 0.00 0.05 -0.09 0.00 0.71 0.00 0.00 52.55 53.22 2k5f s ASP 10 Cb 0.00 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2k5f s ASP 10 CO 0.00 0.10 0.14 -0.60 0.21 0.00 0.00 175.17 175.02 2k5f s ARG 11 N 0.80 3.83 0.05 8.23 3.52 -1.26 -1.31 118.95 132.81 2k5f s ARG 11 Ca 0.05 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 2k5f s ARG 11 Cb -0.13 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2k5f s ARG 11 CO 0.02 -0.16 -0.04 0.00 -0.81 0.00 0.00 175.30 174.31 2k5f s ALA 12 N 1.64 0.46 -0.08 6.12 0.00 0.67 -0.28 121.76 130.29 2k5f s ALA 12 Ca 0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2k5f s ALA 12 Cb -0.15 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2k5f s ALA 12 CO 0.07 -0.25 0.06 -2.00 0.00 0.00 0.00 175.76 173.65 2k5f s GLU 13 N -2.90 3.13 -0.46 0.00 2.12 0.40 -0.20 118.70 120.79 2k5f s GLU 13 Ca -0.01 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 2k5f s GLU 13 Cb 0.00 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.49 2k5f s GLU 13 CO -0.05 0.71 1.35 0.08 -0.54 0.00 0.00 175.26 176.80 2k5f s VAL 14 N -1.00 3.95 0.01 3.70 1.01 0.49 -0.64 120.40 127.93 2k5f s VAL 14 Ca 0.16 0.95 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 2k5f s VAL 14 Cb -0.12 -4.35 -0.29 0.00 0.00 0.00 0.00 36.38 31.63 2k5f s VAL 14 CO 0.06 -0.90 0.88 0.71 0.00 0.00 0.00 175.10 175.84 2k5f h THR 15 N 6.40 1.17 -2.30 3.92 1.35 -1.61 0.76 112.91 122.59 2k5f h THR 15 Ca -0.26 -2.79 -0.04 0.00 -0.55 0.00 0.00 66.41 62.77 2k5f h THR 15 Cb 1.09 2.80 -0.24 0.00 -1.73 0.00 0.00 68.15 70.07 2k5f h THR 15 CO 1.11 0.83 -0.16 -0.44 -0.25 0.00 0.00 175.52 176.61 2k5f s SER 16 N -7.07 -0.73 -0.35 5.36 0.01 -1.13 -4.78 113.70 105.02 2k5f s SER 16 Ca -0.09 1.23 -0.07 0.00 1.31 0.00 0.00 55.95 58.33 2k5f s SER 16 Cb 0.06 1.26 0.04 0.00 0.21 0.00 0.00 66.02 67.60 2k5f s SER 16 CO 0.86 -0.22 0.13 0.54 0.41 0.00 0.00 173.24 174.96 2k5f s VAL 17 N 1.81 3.87 -0.06 3.43 0.11 -1.26 -0.13 120.40 128.17 2k5f s VAL 17 Ca -0.08 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 57.78 2k5f s VAL 17 Cb -0.08 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2k5f s VAL 17 CO -0.16 -0.23 0.02 0.00 -3.33 0.00 0.00 175.10 171.39 2k5f s ALA 18 N 1.41 3.36 0.05 1.54 0.00 -0.86 -4.93 121.76 122.34 2k5f s ALA 18 Ca -0.01 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 2k5f s ALA 18 Cb -0.20 -1.50 0.05 0.00 0.00 0.00 0.00 23.12 21.47 2k5f s ALA 18 CO 0.03 0.61 0.74 0.00 0.00 0.00 0.00 175.76 177.14 2k5f n ALA 19 N 1.89 -2.01 -1.76 0.00 0.00 -1.26 -3.68 120.51 113.69 2k5f n ALA 19 Ca -0.17 -0.59 -0.39 0.00 0.00 0.00 0.00 53.44 52.29 2k5f n ALA 19 Cb 0.53 0.23 0.01 0.00 0.00 0.00 0.00 19.45 20.23 2k5f n ALA 19 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k5f s GLU 20 N -2.02 3.69 0.25 0.00 0.41 -1.26 -4.69 118.70 115.08 2k5f s GLU 20 Ca 0.17 2.09 -0.04 0.00 -0.41 0.00 0.00 54.97 56.78 2k5f s GLU 20 Cb -0.01 -2.54 0.50 0.00 -1.78 0.00 0.00 34.13 30.30 2k5f s GLU 20 CO 0.02 -0.70 1.66 -1.00 -0.49 0.00 0.00 175.26 174.75 2k5f h PRO 21 N 2.20 0.20 -0.23 0.39 0.13 -2.00 0.49 132.00 133.17 2k5f h PRO 21 Ca -0.50 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2k5f h PRO 21 Cb 1.26 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2k5f h PRO 21 CO 0.61 0.13 -0.03 0.00 -0.23 0.00 0.00 178.00 178.47 2k5f h ALA 22 N 1.68 0.31 -0.20 -0.56 0.00 -1.99 -2.13 119.26 116.37 2k5f h ALA 22 Ca 0.44 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2k5f h ALA 22 Cb 0.80 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k5f h ALA 22 CO -0.59 0.08 -0.32 0.28 0.00 0.00 0.00 179.25 178.70 2k5f h VAL 23 N 0.17 1.33 -0.66 0.00 2.07 -1.50 0.23 116.25 117.89 2k5f h VAL 23 Ca 0.06 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2k5f h VAL 23 Cb 0.47 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2k5f h VAL 23 CO 0.02 0.47 0.30 -0.09 0.02 0.00 0.00 177.57 178.29 2k5f h ARG 24 N 0.23 0.95 -0.17 1.57 1.12 -0.15 0.36 114.38 118.30 2k5f h ARG 24 Ca 0.02 -0.13 -0.03 0.00 -1.11 0.00 0.00 59.98 58.72 2k5f h ARG 24 Cb 0.90 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 2k5f h ARG 24 CO 0.07 0.75 -0.01 -0.09 -3.11 0.00 0.00 179.97 177.58 2k5f h ARG 25 N 0.94 0.30 -0.88 0.20 9.65 -1.23 -2.03 114.38 121.34 2k5f h ARG 25 Ca 0.23 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 2k5f h ARG 25 Cb 0.12 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 2k5f h ARG 25 CO -0.03 0.53 0.48 -0.09 2.80 0.00 0.00 179.97 183.67 2k5f h ARG 26 N 0.04 1.23 -0.59 0.20 1.12 -0.28 0.44 114.38 116.54 2k5f h ARG 26 Ca 0.05 -0.14 -0.08 0.00 -1.11 0.00 0.00 59.98 58.69 2k5f h ARG 26 Cb 0.40 -0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 2k5f h ARG 26 CO 0.01 0.90 0.06 -0.07 -3.11 0.00 0.00 179.97 177.75 2k5f h LEU 27 N 1.23 0.93 -0.74 3.80 3.38 -0.26 -1.92 115.31 121.74 2k5f h LEU 27 Ca 0.31 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2k5f h LEU 27 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2k5f h LEU 27 CO -0.05 0.96 -0.59 0.24 0.09 0.00 0.00 178.44 179.09 2k5f h MET 28 N 0.91 0.12 -0.01 1.13 2.86 -0.62 0.98 114.93 120.30 2k5f h MET 28 Ca 0.18 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2k5f h MET 28 Cb 0.45 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2k5f h MET 28 CO 0.02 0.68 -0.39 -0.44 1.06 0.00 0.00 176.91 177.84 2k5f h ASP 29 N 0.09 0.01 -0.16 1.22 3.32 -0.63 -2.77 116.42 117.49 2k5f h ASP 29 Ca -0.01 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2k5f h ASP 29 Cb 1.07 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2k5f h ASP 29 CO 0.08 0.40 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.50 2k5f h LEU 30 N 0.01 0.66 0.00 1.55 3.38 -0.80 -3.47 115.31 116.64 2k5f h LEU 30 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2k5f h LEU 30 Cb 0.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k5f h LEU 30 CO 0.05 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2k5f n GLY 31 N 0.51 -0.73 3.41 0.83 0.00 -0.50 -5.09 105.19 103.61 2k5f n GLY 31 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 5.37 0.00 0.99 0.20 0.22 -4.86 118.68 120.61 2k5f s LEU 32 Ca 0.00 -1.94 0.03 0.00 0.69 0.00 0.00 54.13 52.90 2k5f s LEU 32 Cb 0.00 -2.35 -0.01 0.00 -0.43 0.00 0.00 46.19 43.40 2k5f s LEU 32 CO 0.00 -1.02 0.09 1.33 -0.29 0.00 0.00 176.35 176.46 2k5f n VAL 33 N 5.26 0.00 -2.04 1.68 0.24 -1.26 -3.37 118.33 118.84 2k5f n VAL 33 Ca 0.13 -2.03 -0.42 0.00 -2.04 0.00 0.00 64.34 59.97 2k5f n VAL 33 Cb 0.47 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 2k5f n VAL 33 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2k5f s ARG 34 N -3.38 4.19 0.00 7.34 3.00 -1.26 -2.08 118.95 126.76 2k5f s ARG 34 Ca 0.13 2.15 0.00 0.00 -1.00 0.00 0.00 55.73 57.01 2k5f s ARG 34 Cb 0.01 -3.93 0.00 0.00 0.00 0.00 0.00 34.95 31.03 2k5f s ARG 34 CO 0.09 -0.82 0.00 0.41 0.00 0.00 0.00 175.30 174.99 2k5f n GLY 35 N 4.06 0.65 3.71 8.12 0.00 0.26 -5.04 105.19 116.96 2k5f n GLY 35 Ca 0.17 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 -2.00 3.37 -0.20 4.61 0.00 -0.88 -4.81 121.76 121.85 2k5f s ALA 36 Ca 0.00 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 2k5f s ALA 36 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2k5f s ALA 36 CO 0.00 -0.47 0.34 0.15 0.00 0.00 0.00 175.76 175.78 2k5f s LYS 37 N 1.32 4.17 0.11 0.00 3.01 -1.26 -0.38 119.74 126.71 2k5f s LYS 37 Ca 0.57 0.10 0.05 0.00 -1.01 0.00 0.00 55.97 55.68 2k5f s LYS 37 Cb -0.27 -3.52 -0.04 0.00 -1.01 0.00 0.00 37.83 33.00 2k5f s LYS 37 CO 0.27 0.02 -0.12 -0.48 0.51 0.00 0.00 175.35 175.55 2k5f s LEU 38 N 1.13 2.40 -0.12 3.17 0.05 0.73 0.05 118.68 126.09 2k5f s LEU 38 Ca 0.17 -0.81 0.01 0.00 0.05 0.00 0.00 54.13 53.55 2k5f s LEU 38 Cb -0.14 -0.45 0.02 0.00 -2.05 0.00 0.00 46.19 43.57 2k5f s LEU 38 CO 0.07 -0.19 -0.14 -0.75 -0.55 0.00 0.00 176.35 174.79 2k5f s LYS 39 N -2.72 2.10 -0.15 1.48 2.20 0.19 -0.24 119.74 122.61 2k5f s LYS 39 Ca 0.07 -0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 2k5f s LYS 39 Cb -0.04 -1.86 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 2k5f s LYS 39 CO 0.02 -0.13 1.69 0.08 -0.36 0.00 0.00 175.35 176.65 2k5f s VAL 40 N 1.19 3.58 -0.11 4.02 1.01 -0.43 -0.61 120.40 129.04 2k5f s VAL 40 Ca -0.03 0.67 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 2k5f s VAL 40 Cb -0.14 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2k5f s VAL 40 CO -0.04 -0.18 0.26 -0.07 0.00 0.00 0.00 175.10 175.06 2k5f h LEU 41 N 11.41 -0.01 -7.25 3.92 3.38 -0.63 0.32 115.31 126.45 2k5f h LEU 41 Ca -0.37 -0.31 0.18 0.00 0.09 0.00 0.00 57.88 57.48 2k5f h LEU 41 Cb 1.17 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2k5f h LEU 41 CO 0.98 0.64 0.58 -0.60 0.09 0.00 0.00 178.44 180.13 2k5f s ARG 42 N -1.81 0.82 0.20 1.13 3.52 -1.11 -4.42 118.95 117.29 2k5f s ARG 42 Ca -0.06 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 2k5f s ARG 42 Cb -0.01 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 2k5f s ARG 42 CO 0.22 -0.37 0.09 -0.06 -0.81 0.00 0.00 175.30 174.37 2k5f s PHE 43 N -2.99 2.99 1.05 5.12 0.08 -1.26 -0.84 117.98 122.13 2k5f s PHE 43 Ca 0.09 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 2k5f s PHE 43 Cb -0.00 -1.40 0.22 0.00 -0.57 0.00 0.00 43.02 41.27 2k5f s PHE 43 CO -0.04 0.53 1.07 0.00 -0.10 0.00 0.00 175.22 176.68 2k5f s ALA 44 N -1.93 0.45 -0.90 5.36 0.00 -0.48 -4.77 121.76 119.48 2k5f s ALA 44 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2k5f s ALA 44 Cb -0.09 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2k5f s ALA 44 CO 0.22 -3.21 0.71 -0.35 0.00 0.00 0.00 175.76 173.12 2k5f n PRO 45 N -4.47 0.00 -0.32 0.00 -0.04 -1.26 -0.19 135.00 128.72 2k5f n PRO 45 Ca 0.05 0.25 0.04 0.00 -0.04 0.00 0.00 63.50 63.80 2k5f n PRO 45 Cb 0.55 -1.61 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.21 0.92 0.00 1.53 4.77 -1.26 -4.99 117.00 116.76 2k5f n LEU 46 Ca 0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2k5f n LEU 46 Cb 0.11 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2k5f n LEU 46 CO 0.00 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2k5f n GLY 47 N -0.55 1.32 3.47 -0.72 0.00 0.74 -4.92 105.19 104.52 2k5f n GLY 47 Ca 0.06 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.46 1.00 1.61 2.15 -1.26 -3.75 116.67 120.87 2k5f s ASP 48 Ca 0.00 -0.18 -0.15 0.00 0.43 0.00 0.00 52.55 52.65 2k5f s ASP 48 Cb 0.00 -1.58 0.20 0.00 -0.30 0.00 0.00 42.92 41.24 2k5f s ASP 48 CO 0.00 0.21 1.17 -2.65 -0.17 0.00 0.00 175.17 173.73 2k5f n PRO 49 N 3.26 -1.13 -5.05 4.34 -0.02 -1.26 -4.64 135.00 130.50 2k5f n PRO 49 Ca -0.18 -1.83 -0.32 0.00 -2.02 0.00 0.00 63.50 59.15 2k5f n PRO 49 Cb 0.53 -1.20 -0.15 0.00 -0.02 0.00 0.00 33.50 32.65 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 -3.56 2.55 -0.30 4.25 1.01 0.72 -1.39 121.20 124.48 2k5f s ILE 50 Ca 0.67 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 2k5f s ILE 50 Cb -0.02 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2k5f s ILE 50 CO 0.47 0.56 0.44 -1.61 0.00 0.00 0.00 174.94 174.80 2k5f s GLU 51 N -0.11 3.83 -0.00 2.79 0.41 -0.02 -2.30 118.70 123.31 2k5f s GLU 51 Ca -0.04 -0.04 0.04 0.00 -0.41 0.00 0.00 54.97 54.52 2k5f s GLU 51 Cb -0.14 -3.73 -0.01 0.00 -1.78 0.00 0.00 34.13 28.47 2k5f s GLU 51 CO 0.04 -0.44 -0.12 0.14 -0.49 0.00 0.00 175.26 174.39 2k5f s VAL 52 N 2.21 0.94 -0.58 2.63 -7.23 -0.49 0.16 120.40 118.05 2k5f s VAL 52 Ca 0.17 -0.58 -0.19 0.00 -1.81 0.00 0.00 61.98 59.57 2k5f s VAL 52 Cb -0.16 -0.80 0.10 0.00 0.56 0.00 0.00 36.38 36.08 2k5f s VAL 52 CO 0.11 0.22 0.69 0.21 -0.31 0.00 0.00 175.10 176.02 2k5f s ASN 53 N -0.41 6.19 -0.29 4.85 3.84 0.22 -0.41 114.94 128.92 2k5f s ASN 53 Ca 0.04 -1.36 -0.06 0.00 0.21 0.00 0.00 52.86 51.69 2k5f s ASN 53 Cb -0.05 -2.30 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 2k5f s ASN 53 CO -0.00 -1.08 0.06 0.00 -2.79 0.00 0.00 177.10 173.29 2k5f n ASN 55 N 4.84 -5.09 0.00 0.00 3.02 0.11 -1.17 115.26 116.96 2k5f n ASN 55 Ca -0.15 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2k5f n ASN 55 Cb 0.48 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 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 -1.01 0.45 3.38 7.41 0.00 -1.26 -5.03 105.19 109.13 2k5f n GLY 56 Ca -0.20 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.86 2.07 -0.43 1.61 0.00 -0.32 -5.09 119.30 116.27 2k5f s MET 57 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 55.69 54.46 2k5f s MET 57 Cb 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 34.83 32.75 2k5f s MET 57 CO 0.00 0.55 1.01 -0.51 0.00 0.00 0.00 175.02 176.07 2k5f s LEU 58 N -1.01 3.88 0.06 4.11 1.43 -1.26 0.13 118.68 126.01 2k5f s LEU 58 Ca 0.12 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2k5f s LEU 58 Cb -0.10 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2k5f s LEU 58 CO 0.02 -1.06 -0.13 -0.76 0.23 0.00 0.00 176.35 174.65 2k5f s LEU 59 N 3.91 2.90 -0.13 1.79 2.01 0.45 -4.96 118.68 124.64 2k5f s LEU 59 Ca 0.42 -0.36 -0.00 0.00 0.01 0.00 0.00 54.13 54.19 2k5f s LEU 59 Cb -0.10 -1.70 0.03 0.00 0.01 0.00 0.00 46.19 44.43 2k5f s LEU 59 CO 0.25 0.23 -0.10 -0.89 1.01 0.00 0.00 176.35 176.85 2k5f s THR 60 N -1.07 1.23 0.22 5.49 2.01 -1.26 -1.39 115.64 120.88 2k5f s THR 60 Ca 0.18 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2k5f s THR 60 Cb -0.11 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2k5f s THR 60 CO 0.09 0.38 0.07 0.00 -0.69 0.00 0.00 174.62 174.47 2k5f s MET 61 N 1.62 1.29 0.41 4.92 0.23 -0.97 -4.97 119.30 121.83 2k5f s MET 61 Ca 0.05 -1.67 0.01 0.00 -1.03 0.00 0.00 55.69 53.05 2k5f s MET 61 Cb -0.13 -0.22 -0.01 0.00 -1.53 0.00 0.00 34.83 32.94 2k5f s MET 61 CO -0.09 -0.25 0.61 1.03 -2.03 0.00 0.00 175.02 174.30 2k5f s ARG 62 N -4.00 3.16 0.24 3.16 1.81 -1.26 -0.20 118.95 121.87 2k5f s ARG 62 Ca 0.33 -0.53 -0.04 0.00 -1.72 0.00 0.00 55.73 53.77 2k5f s ARG 62 Cb 0.07 -2.62 0.28 0.00 -0.45 0.00 0.00 34.95 32.23 2k5f s ARG 62 CO 0.10 -0.13 1.76 -0.09 -0.68 0.00 0.00 175.30 176.26 2k5f h ARG 63 N 0.55 0.91 -0.36 3.54 2.43 -1.92 -1.98 114.38 117.54 2k5f h ARG 63 Ca -0.47 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.47 2k5f h ARG 63 Cb 1.25 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2k5f h ARG 63 CO 0.57 0.85 0.19 -2.95 -1.51 0.00 0.00 179.97 177.12 2k5f h ASN 64 N 0.86 0.44 0.34 -3.80 7.08 -2.01 -0.52 115.58 117.97 2k5f h ASN 64 Ca 0.17 -0.03 -0.21 0.00 -3.08 0.00 0.00 56.30 53.16 2k5f h ASN 64 Cb 0.40 -0.11 -0.00 0.00 -2.08 0.00 0.00 38.32 36.53 2k5f h ASN 64 CO 0.01 0.37 -0.85 -0.33 -2.08 0.00 0.00 177.43 174.55 2k5f h GLU 65 N 0.50 0.38 0.00 4.14 3.07 -1.84 -3.23 114.58 117.60 2k5f h GLU 65 Ca 0.13 -0.37 -0.07 0.00 -0.50 0.00 0.00 59.36 58.55 2k5f h GLU 65 Cb 0.04 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2k5f h GLU 65 CO -0.02 1.03 -0.32 0.00 -1.40 0.00 0.00 179.01 178.30 2k5f h ALA 66 N 0.85 1.44 -0.53 3.43 0.00 -0.39 -2.38 119.26 121.67 2k5f h ALA 66 Ca -0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2k5f h ALA 66 Cb 1.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2k5f h ALA 66 CO 0.14 0.40 0.02 0.93 0.00 0.00 0.00 179.25 180.75 2k5f h GLU 67 N 0.00 0.89 -0.02 0.00 5.08 -1.27 -2.30 114.58 116.96 2k5f h GLU 67 Ca -0.00 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2k5f h GLU 67 Cb 0.58 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k5f h GLU 67 CO 0.04 0.87 -0.35 0.78 -1.00 0.00 0.00 179.01 179.36 2k5f h GLY 68 N 0.99 0.04 -5.23 -3.84 0.00 -1.53 -3.43 103.07 90.07 2k5f h GLY 68 Ca 0.16 -0.03 -0.58 0.00 0.00 0.00 0.00 47.33 46.88 2k5f h GLY 68 CO 0.02 0.03 0.64 -0.42 0.00 0.00 0.00 176.54 176.81 2k5f s ILE 69 N -4.26 4.75 -0.17 2.60 1.01 -0.89 -2.02 121.20 122.22 2k5f s ILE 69 Ca -0.03 1.88 -0.08 0.00 0.00 0.00 0.00 60.65 62.41 2k5f s ILE 69 Cb 0.14 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2k5f s ILE 69 CO 0.73 -0.11 0.11 -0.89 0.00 0.00 0.00 174.94 174.78 2k5f s THR 70 N 2.83 5.20 0.19 2.92 2.01 0.81 -0.51 115.64 129.08 2k5f s THR 70 Ca 0.42 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.60 2k5f s THR 70 Cb -0.16 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2k5f s THR 70 CO 0.09 0.49 -0.15 0.68 -0.69 0.00 0.00 174.62 175.04 2k5f s VAL 71 N 0.02 1.69 -0.14 3.82 -7.23 -0.30 -1.52 120.40 116.75 2k5f s VAL 71 Ca 0.08 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2k5f s VAL 71 Cb -0.12 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.87 2k5f s VAL 71 CO -0.00 -0.56 -0.16 -2.28 -0.31 0.00 0.00 175.10 171.79 2k5f s HIS 72 N -2.82 2.24 0.09 2.82 5.65 0.19 -4.23 115.29 119.22 2k5f s HIS 72 Ca 0.20 -1.21 -0.31 0.00 0.25 0.00 0.00 55.06 54.00 2k5f s HIS 72 Cb -0.01 -1.61 -0.09 0.00 -1.18 0.00 0.00 32.58 29.69 2k5f s HIS 72 CO 0.06 -0.64 1.64 0.42 -0.65 0.00 0.00 174.74 175.57 2k5f s ILE 73 N 1.29 2.95 -1.15 0.89 -1.09 -1.26 -0.45 121.20 122.38 2k5f s ILE 73 Ca 0.01 0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 2k5f s ILE 73 Cb -0.14 -3.31 0.17 0.00 -1.58 0.00 0.00 42.46 37.61 2k5f s ILE 73 CO -0.08 0.01 1.35 -0.76 -1.23 0.00 0.00 174.94 174.23 2k5f s LEU 74 N 2.34 5.17 0.00 2.97 1.43 0.61 -4.82 118.68 126.39 2k5f s LEU 74 Ca 0.73 -2.89 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 2k5f s LEU 74 Cb -0.41 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2k5f s LEU 74 CO 0.32 -0.76 0.00 0.00 0.23 0.00 0.00 176.35 176.14 2k5f n ALA 75 N 5.55 0.00 -1.57 4.21 0.00 -1.26 -4.85 120.51 122.59 2k5f n ALA 75 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2k5f n ALA 75 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 4.22 3.01 0.00 0.00 -1.26 -4.85 105.19 106.31 2k5f n GLY 76 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 3.09 0.45 0.00 1.61 2.15 -1.26 -5.12 116.67 117.59 2k5f s ASP 77 Ca 0.53 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2k5f s ASP 77 Cb 0.15 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 2k5f s ASP 77 CO -0.07 -0.29 0.00 -0.62 -0.17 0.00 0.00 175.17 174.02 2k5f n GLU 78 N 1.43 0.00 0.00 4.34 1.02 -1.26 -4.89 120.64 121.28 2k5f n GLU 78 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2k5f n GLU 78 Cb 0.55 -0.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2k5f n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k5f n GLY 79 N 2.77 0.56 3.18 0.62 0.00 -1.26 -4.63 105.19 106.43 2k5f n GLY 79 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 2k5f n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k5f s HIS 80 N 0.00 0.66 -0.48 1.61 -3.43 -1.26 -5.09 115.29 107.29 2k5f s HIS 80 Ca 0.00 -1.06 -0.28 0.00 -0.80 0.00 0.00 55.06 52.92 2k5f s HIS 80 Cb 0.00 -0.34 -0.09 0.00 -1.43 0.00 0.00 32.58 30.72 2k5f s HIS 80 CO 0.00 -0.54 2.39 -0.35 -2.00 0.00 0.00 174.74 174.24 2k5f n PRO 81 N -0.08 1.09 0.00 -0.38 -0.04 -1.26 -4.78 135.00 129.55 2k5f n PRO 81 Ca -0.08 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2k5f n PRO 81 Cb 0.63 -3.05 0.56 0.00 -0.04 0.00 0.00 33.50 31.60 2k5f n PRO 81 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2k5f n HIS 82 N 13.75 0.00 -3.06 0.54 1.44 -1.26 -4.58 115.22 122.05 2k5f n HIS 82 Ca 0.40 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.67 2k5f n HIS 82 Cb 0.43 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.43 2k5f n HIS 82 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k5f n GLY 83 N 1.25 3.97 3.77 -1.39 0.00 -1.26 -5.02 105.19 106.51 2k5f n GLY 83 Ca 0.16 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.03 3.18 -0.84 1.61 -0.00 -1.26 -4.86 118.94 116.75 2k5f s TRP 84 Ca 0.37 1.59 -0.27 0.00 -0.00 0.00 0.00 56.10 57.79 2k5f s TRP 84 Cb -0.04 -3.33 -0.18 0.00 -0.00 0.00 0.00 33.47 29.92 2k5f s TRP 84 CO -0.02 -1.07 2.56 -2.30 -0.00 0.00 0.00 176.95 176.11 2k5f n PRO 85 N 0.23 0.34 0.00 5.86 -0.02 -1.26 -4.42 135.00 135.73 2k5f n PRO 85 Ca 0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2k5f n PRO 85 Cb 0.47 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2k5f n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5f n GLY 86 N 6.28 0.07 3.47 -1.23 0.00 -1.26 -5.11 105.19 107.42 2k5f n GLY 86 Ca 0.57 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 2k5f n GLY 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k5f s PHE 87 N 0.00 3.07 -0.24 1.61 -0.71 -1.26 -5.03 117.98 115.42 2k5f s PHE 87 Ca 0.00 -0.37 -0.04 0.00 -1.04 0.00 0.00 56.93 55.47 2k5f s PHE 87 Cb 0.00 -3.38 -0.00 0.00 -1.21 0.00 0.00 43.02 38.43 2k5f s PHE 87 CO 0.00 -0.94 -0.01 0.50 -1.34 0.00 0.00 175.22 173.43 2k5f s ARG 88 N 2.61 3.28 0.08 1.99 3.52 -1.26 -5.10 118.95 124.08 2k5f s ARG 88 Ca 0.17 -0.70 0.06 0.00 -0.13 0.00 0.00 55.73 55.13 2k5f s ARG 88 Cb -0.17 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2k5f s ARG 88 CO 0.14 -0.27 -0.10 1.03 -0.81 0.00 0.00 175.30 175.30 2k5f s ARG 89 N 1.48 2.21 -0.31 5.12 0.52 -1.26 -5.10 118.95 121.60 2k5f s ARG 89 Ca 0.04 -0.97 -0.17 0.00 -0.52 0.00 0.00 55.73 54.11 2k5f s ARG 89 Cb -0.15 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 2k5f s ARG 89 CO -0.02 0.53 0.49 0.50 0.02 0.00 0.00 175.30 176.82 2k5f s ARG 90 N -2.04 3.80 -0.51 3.54 3.52 -1.26 -5.02 118.95 120.97 2k5f s ARG 90 Ca 0.20 -0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.51 2k5f s ARG 90 Cb -0.11 -3.74 0.03 0.00 -1.56 0.00 0.00 34.95 29.57 2k5f s ARG 90 CO 0.12 -0.50 1.18 -1.01 -0.81 0.00 0.00 175.30 174.28 2k5f s HIS 91 N 2.31 2.70 -0.14 5.12 3.76 -1.26 -5.01 115.29 122.78 2k5f s HIS 91 Ca 0.19 0.60 -0.08 0.00 -0.15 0.00 0.00 55.06 55.62 2k5f s HIS 91 Cb -0.16 -4.47 -0.04 0.00 1.11 0.00 0.00 32.58 29.03 2k5f s HIS 91 CO 0.12 -1.44 0.14 1.03 -0.85 0.00 0.00 174.74 173.73 2k5f s ARG 92 N 4.69 3.59 -0.04 1.40 0.52 -1.26 -5.10 118.95 122.76 2k5f s ARG 92 Ca 0.47 -0.15 -0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2k5f s ARG 92 Cb -0.08 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2k5f s ARG 92 CO 0.30 0.68 0.07 -0.06 0.02 0.00 0.00 175.30 176.31 2k5f s PHE 93 N -0.75 3.30 -0.29 -0.53 0.08 -1.26 -5.08 117.98 113.45 2k5f s PHE 93 Ca 0.14 0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.45 2k5f s PHE 93 Cb -0.12 -1.77 0.08 0.00 -0.57 0.00 0.00 43.02 40.64 2k5f s PHE 93 CO 0.03 0.56 -0.01 0.20 -0.10 0.00 0.00 175.22 175.89 2k5f s GLY 94 N -1.47 1.61 0.16 4.36 0.00 -1.26 -5.11 107.32 105.61 2k5f s GLY 94 Ca 0.20 -1.94 -0.16 0.00 0.00 0.00 0.00 44.72 42.82 2k5f s GLY 94 CO 0.10 0.92 0.59 0.54 0.00 0.00 0.00 173.10 175.25 2k5f s LYS 95 N 1.15 4.05 -0.23 2.90 1.02 -1.26 -5.07 119.74 122.30 2k5f s LYS 95 Ca 0.01 0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.59 2k5f s LYS 95 Cb -0.19 -2.93 0.06 0.00 -0.52 0.00 0.00 37.83 34.25 2k5f s LYS 95 CO -0.09 0.47 -0.07 1.03 -0.92 0.00 0.00 175.35 175.77 2k5f s ARG 96 N -1.93 1.79 -0.23 1.68 1.81 -1.26 -5.11 118.95 115.69 2k5f s ARG 96 Ca 0.39 -1.01 -0.18 0.00 -1.72 0.00 0.00 55.73 53.21 2k5f s ARG 96 Cb -0.15 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 31.72 2k5f s ARG 96 CO 0.19 -0.56 0.51 0.00 -0.68 0.00 0.00 175.30 174.76 2k5f s ALA 97 N 1.36 3.57 -0.20 2.13 0.00 -1.26 -5.05 121.76 122.31 2k5f s ALA 97 Ca -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2k5f s ALA 97 Cb -0.18 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2k5f s ALA 97 CO -0.06 -0.59 -0.14 -1.17 0.00 0.00 0.00 175.76 173.80 2k5f s LEU 98 N 1.96 2.44 -0.07 0.00 2.96 -1.26 -5.11 118.68 119.61 2k5f s LEU 98 Ca 0.22 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2k5f s LEU 98 Cb -0.15 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 2k5f s LEU 98 CO 0.09 -0.01 -0.23 -1.83 -1.32 0.00 0.00 176.35 173.06 2k5f s GLU 99 N 1.37 2.61 -0.28 1.98 -1.05 -1.26 -5.11 118.70 116.95 2k5f s GLU 99 Ca 0.05 -0.82 -0.22 0.00 -0.15 0.00 0.00 54.97 53.83 2k5f s GLU 99 Cb -0.14 -2.09 0.12 0.00 -0.44 0.00 0.00 34.13 31.59 2k5f s GLU 99 CO -0.09 0.25 0.99 -3.38 0.95 0.00 0.00 175.26 173.98 2k5f s HIS 100 N 0.15 -0.53 -0.09 4.83 -3.43 -1.26 -5.15 115.29 109.79 2k5f s HIS 100 Ca -0.11 1.22 0.02 0.00 -0.80 0.00 0.00 55.06 55.39 2k5f s HIS 100 Cb -0.15 0.37 0.01 0.00 -1.43 0.00 0.00 32.58 31.38 2k5f s HIS 100 CO 0.06 -0.26 -0.14 -1.58 -2.00 0.00 0.00 174.74 170.82 2k5f s HIS 101 N 0.57 1.80 0.04 0.38 5.04 -1.26 -5.04 115.29 116.82 2k5f s HIS 101 Ca -0.00 -0.79 -0.17 0.00 -1.54 0.00 0.00 55.06 52.56 2k5f s HIS 101 Cb -0.05 -1.31 -0.25 0.00 0.04 0.00 0.00 32.58 31.02 2k5f s HIS 101 CO -0.09 -0.41 1.13 0.45 -2.34 0.00 0.00 174.74 173.49 2k5f h HIS 102 N 7.28 0.87 -5.53 3.88 3.86 -2.02 -3.49 115.15 120.00 2k5f h HIS 102 Ca -0.30 -0.49 -0.06 0.00 -1.16 0.00 0.00 60.37 58.36 2k5f h HIS 102 Cb 1.18 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 29.56 2k5f h HIS 102 CO 0.48 1.32 -0.15 1.58 0.86 0.00 0.00 177.93 182.03 2k5f n HIS 103 N -3.99 -2.87 -3.21 2.45 -0.00 -1.26 -4.15 115.22 102.20 2k5f n HIS 103 Ca -0.11 1.10 -0.11 0.00 -0.00 0.00 0.00 57.72 58.59 2k5f n HIS 103 Cb 0.82 -3.97 0.05 0.00 -0.00 0.00 0.00 29.99 26.89 2k5f n HIS 103 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5f n HIS 104 N -1.91 -2.60 -0.51 1.57 8.25 -1.26 -5.37 115.22 113.39 2k5f n HIS 104 Ca -0.04 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 2k5f n HIS 104 Cb 0.52 -4.10 0.00 0.00 1.12 0.00 0.00 29.99 27.54 2k5f n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70