#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 3.55 0.29 2.12 3.01 -1.26 -0.75 119.74 126.70 2k5f s LYS 2 Ca 0.00 -0.14 0.02 0.00 -1.01 0.00 0.00 55.97 54.85 2k5f s LYS 2 Cb 0.00 -2.63 0.45 0.00 -1.01 0.00 0.00 37.83 34.63 2k5f s LYS 2 CO 0.00 0.15 1.76 1.25 0.51 0.00 0.00 175.35 179.02 2k5f h LEU 3 N 1.15 0.52 -0.27 3.17 5.85 -1.04 -2.12 115.31 122.57 2k5f h LEU 3 Ca -0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2k5f h LEU 3 Cb 1.20 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2k5f h LEU 3 CO 0.64 0.70 0.00 -1.20 -0.34 0.00 0.00 178.44 178.24 2k5f n SER 4 N -4.17 0.54 -0.24 1.25 7.64 -1.19 -2.38 113.62 115.07 2k5f n SER 4 Ca 0.00 0.59 0.14 0.00 1.01 0.00 0.00 58.87 60.61 2k5f n SER 4 Cb 0.36 -0.72 0.49 0.00 -1.01 0.00 0.00 64.21 63.33 2k5f n SER 4 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k5f n GLU 5 N -2.05 0.93 -1.86 1.43 1.02 -0.80 -4.87 120.64 114.44 2k5f n GLU 5 Ca 0.04 -0.48 -0.30 0.00 -0.02 0.00 0.00 57.16 56.41 2k5f n GLU 5 Cb 0.31 -1.49 0.19 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.39 2.54 0.23 -4.62 1.43 -1.00 -4.95 118.68 109.92 2k5f s LEU 6 Ca 0.29 0.29 0.10 0.00 -1.03 0.00 0.00 54.13 53.78 2k5f s LEU 6 Cb 0.20 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 2k5f s LEU 6 CO 0.47 -2.87 -0.17 -0.54 0.23 0.00 0.00 176.35 173.47 2k5f s LYS 7 N -5.85 1.48 -0.31 1.70 1.02 -1.26 -5.05 119.74 111.46 2k5f s LYS 7 Ca 0.74 -1.66 -0.28 0.00 0.02 0.00 0.00 55.97 54.79 2k5f s LYS 7 Cb -0.04 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.83 2k5f s LYS 7 CO 0.53 0.25 1.89 0.00 -0.92 0.00 0.00 175.35 177.10 2k5f s ALA 8 N -2.73 2.83 0.00 5.17 0.00 -1.26 -1.31 121.76 124.45 2k5f s ALA 8 Ca 0.25 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2k5f s ALA 8 Cb -0.03 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2k5f s ALA 8 CO 0.10 -2.68 0.00 0.41 0.00 0.00 0.00 175.76 173.59 2k5f n GLY 9 N 5.50 1.74 3.77 0.00 0.00 0.14 -4.98 105.19 111.36 2k5f n GLY 9 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.44 7.42 0.05 1.61 1.01 -0.43 -4.78 116.67 120.11 2k5f s ASP 10 Ca 0.00 1.92 0.03 0.00 0.71 0.00 0.00 52.55 55.22 2k5f s ASP 10 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k5f s ASP 10 CO 0.00 -0.01 -0.01 -0.13 0.21 0.00 0.00 175.17 175.24 2k5f s ARG 11 N -1.69 2.64 0.12 8.23 0.52 -1.26 -1.00 118.95 126.51 2k5f s ARG 11 Ca 0.47 -0.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.83 2k5f s ARG 11 Cb -0.23 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.66 2k5f s ARG 11 CO 0.28 0.58 0.28 0.00 0.02 0.00 0.00 175.30 176.46 2k5f s ALA 12 N -1.19 -0.39 -0.17 2.13 0.00 -0.02 -0.17 121.76 121.94 2k5f s ALA 12 Ca 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 2k5f s ALA 12 Cb -0.12 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 2k5f s ALA 12 CO 0.14 -0.59 -0.09 -2.00 0.00 0.00 0.00 175.76 173.22 2k5f s GLU 13 N -3.87 3.39 -0.06 0.00 2.12 0.18 -1.06 118.70 119.41 2k5f s GLU 13 Ca 0.07 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 2k5f s GLU 13 Cb 0.03 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2k5f s GLU 13 CO -0.08 0.02 1.48 0.08 -0.54 0.00 0.00 175.26 176.22 2k5f s VAL 14 N 0.87 3.76 -0.21 3.70 1.01 -0.22 -0.32 120.40 128.98 2k5f s VAL 14 Ca -0.02 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.03 2k5f s VAL 14 Cb -0.15 -3.65 -0.21 0.00 0.00 0.00 0.00 36.38 32.37 2k5f s VAL 14 CO 0.01 -0.06 -0.01 0.35 0.00 0.00 0.00 175.10 175.39 2k5f n THR 15 N 5.15 1.51 -3.64 3.92 -2.24 -0.68 -0.61 114.28 117.68 2k5f n THR 15 Ca 0.15 -0.68 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 2k5f n THR 15 Cb 0.43 -1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 67.42 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 -6.27 -0.76 -0.07 3.42 0.15 -0.95 -4.82 113.70 104.40 2k5f s SER 16 Ca -0.24 1.39 0.04 0.00 0.70 0.00 0.00 55.95 57.83 2k5f s SER 16 Cb 0.08 1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 65.73 2k5f s SER 16 CO 0.70 -0.23 -0.19 0.54 1.20 0.00 0.00 173.24 175.25 2k5f s VAL 17 N 0.72 2.55 -0.15 4.45 0.11 -1.26 0.32 120.40 127.14 2k5f s VAL 17 Ca -0.03 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.12 2k5f s VAL 17 Cb -0.05 -1.98 0.05 0.00 -1.53 0.00 0.00 36.38 32.86 2k5f s VAL 17 CO -0.05 0.57 0.01 0.00 -3.33 0.00 0.00 175.10 172.30 2k5f s ALA 18 N -0.22 0.99 0.34 1.54 0.00 -0.63 -4.94 121.76 118.84 2k5f s ALA 18 Ca -0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 2k5f s ALA 18 Cb -0.13 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.00 2k5f s ALA 18 CO 0.03 -0.85 0.57 0.00 0.00 0.00 0.00 175.76 175.52 2k5f n ALA 19 N 5.05 -0.95 -1.76 0.00 0.00 -1.26 -3.91 120.51 117.68 2k5f n ALA 19 Ca -0.09 -1.30 -0.39 0.00 0.00 0.00 0.00 53.44 51.66 2k5f n ALA 19 Cb 0.48 1.04 0.02 0.00 0.00 0.00 0.00 19.45 20.99 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 -2.40 3.62 0.20 0.00 0.41 -1.26 -4.69 118.70 114.58 2k5f s GLU 20 Ca 0.20 2.27 -0.13 0.00 -0.41 0.00 0.00 54.97 56.90 2k5f s GLU 20 Cb -0.03 -2.57 0.22 0.00 -1.78 0.00 0.00 34.13 29.97 2k5f s GLU 20 CO 0.15 -0.81 1.67 -1.00 -0.49 0.00 0.00 175.26 174.77 2k5f h PRO 21 N 2.18 0.08 -0.42 0.39 0.13 -2.00 0.70 132.00 133.06 2k5f h PRO 21 Ca -0.50 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 2k5f h PRO 21 Cb 1.27 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2k5f h PRO 21 CO 0.60 0.05 -0.07 0.00 -0.23 0.00 0.00 178.00 178.36 2k5f h ALA 22 N 1.50 1.09 -0.03 -0.56 0.00 -2.01 -2.26 119.26 117.00 2k5f h ALA 22 Ca 0.27 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2k5f h ALA 22 Cb 0.43 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k5f h ALA 22 CO -0.48 0.57 -0.99 0.28 0.00 0.00 0.00 179.25 178.63 2k5f h VAL 23 N 0.67 1.29 -0.17 0.00 2.07 -1.53 -3.12 116.25 115.45 2k5f h VAL 23 Ca 0.12 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2k5f h VAL 23 Cb 0.51 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2k5f h VAL 23 CO 0.03 0.68 0.11 -0.09 0.02 0.00 0.00 177.57 178.32 2k5f h ARG 24 N 0.41 0.22 -0.42 1.57 2.43 0.58 -2.12 114.38 117.06 2k5f h ARG 24 Ca -0.11 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 2k5f h ARG 24 Cb 1.63 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 2k5f h ARG 24 CO 0.19 0.17 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.59 2k5f h ARG 25 N 0.22 0.78 -0.74 0.20 2.43 -1.51 -0.87 114.38 114.87 2k5f h ARG 25 Ca 0.06 -0.27 0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2k5f h ARG 25 Cb -0.01 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 2k5f h ARG 25 CO -0.01 0.88 0.41 0.00 -1.51 0.00 0.00 179.97 179.73 2k5f h ARG 26 N 0.70 0.69 -0.51 0.20 3.08 -1.41 0.49 114.38 117.62 2k5f h ARG 26 Ca 0.11 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2k5f h ARG 26 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2k5f h ARG 26 CO 0.04 0.46 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.31 2k5f h LEU 27 N 0.72 0.91 -0.83 3.04 3.38 -0.90 -1.19 115.31 120.43 2k5f h LEU 27 Ca 0.35 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2k5f h LEU 27 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2k5f h LEU 27 CO -0.23 1.01 -0.02 0.24 0.09 0.00 0.00 178.44 179.53 2k5f h MET 28 N 0.79 0.85 -0.03 1.13 2.86 0.16 0.46 114.93 121.15 2k5f h MET 28 Ca 0.14 -0.25 -0.18 0.00 -2.06 0.00 0.00 59.70 57.36 2k5f h MET 28 Cb 0.55 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2k5f h MET 28 CO 0.03 0.86 -0.76 -0.44 1.06 0.00 0.00 176.91 177.67 2k5f h ASP 29 N 0.78 0.28 -0.51 1.22 3.32 0.00 -3.15 116.42 118.38 2k5f h ASP 29 Ca 0.15 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 2k5f h ASP 29 Cb 0.51 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2k5f h ASP 29 CO 0.03 0.94 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.34 2k5f h LEU 30 N 0.15 0.95 0.00 1.55 3.38 -0.76 -3.46 115.31 117.11 2k5f h LEU 30 Ca -0.03 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2k5f h LEU 30 Cb 1.34 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2k5f h LEU 30 CO 0.12 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.32 2k5f n GLY 31 N -0.28 -0.08 3.25 0.83 0.00 -0.19 -4.96 105.19 103.75 2k5f n GLY 31 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 6.15 0.00 0.99 0.20 0.15 -4.79 118.68 121.37 2k5f s LEU 32 Ca 0.00 -2.45 0.02 0.00 0.69 0.00 0.00 54.13 52.39 2k5f s LEU 32 Cb 0.00 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.66 2k5f s LEU 32 CO 0.00 -0.59 0.07 1.33 -0.29 0.00 0.00 176.35 176.86 2k5f n VAL 33 N 4.23 0.00 -2.27 1.68 0.24 -1.26 -3.46 118.33 117.49 2k5f n VAL 33 Ca 0.04 -0.86 -0.42 0.00 -2.04 0.00 0.00 64.34 61.06 2k5f n VAL 33 Cb 0.43 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.54 4.34 0.00 7.34 3.52 -1.26 -1.93 118.95 128.42 2k5f s ARG 34 Ca 0.10 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 2k5f s ARG 34 Cb 0.00 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 2k5f s ARG 34 CO 0.07 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 2k5f n GLY 35 N 3.47 0.68 3.70 8.12 0.00 0.22 -4.99 105.19 116.39 2k5f n GLY 35 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.60 3.40 -0.21 4.61 0.00 -0.81 -4.81 121.76 121.34 2k5f s ALA 36 Ca 0.00 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.54 2k5f s ALA 36 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2k5f s ALA 36 CO 0.00 -0.55 0.11 0.15 0.00 0.00 0.00 175.76 175.47 2k5f s LYS 37 N 1.58 4.01 0.04 0.00 1.02 -1.26 -1.06 119.74 124.08 2k5f s LYS 37 Ca 0.56 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2k5f s LYS 37 Cb -0.25 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 2k5f s LYS 37 CO 0.25 0.15 -0.04 -0.48 -0.92 0.00 0.00 175.35 174.31 2k5f s LEU 38 N 0.75 2.36 -0.13 3.17 2.34 -0.22 -2.12 118.68 124.83 2k5f s LEU 38 Ca 0.06 -0.73 -0.01 0.00 0.06 0.00 0.00 54.13 53.50 2k5f s LEU 38 Cb -0.13 0.05 -0.02 0.00 -0.56 0.00 0.00 46.19 45.54 2k5f s LEU 38 CO 0.02 -0.40 -0.11 -0.75 -1.06 0.00 0.00 176.35 174.05 2k5f s LYS 39 N -2.57 3.44 -0.20 1.48 2.20 -0.03 -0.84 119.74 123.22 2k5f s LYS 39 Ca -0.04 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 2k5f s LYS 39 Cb -0.02 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 2k5f s LYS 39 CO -0.04 0.23 1.53 0.08 -0.36 0.00 0.00 175.35 176.79 2k5f s VAL 40 N 0.34 3.81 -0.06 4.02 1.01 -0.17 -0.48 120.40 128.86 2k5f s VAL 40 Ca -0.09 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 2k5f s VAL 40 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2k5f s VAL 40 CO 0.05 -0.26 -0.06 -0.07 0.00 0.00 0.00 175.10 174.76 2k5f h LEU 41 N 11.10 0.00 -7.59 3.92 3.38 -1.25 0.41 115.31 125.28 2k5f h LEU 41 Ca -0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2k5f h LEU 41 Cb 1.14 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.73 2k5f h LEU 41 CO 0.99 0.33 -0.25 -0.13 0.09 0.00 0.00 178.44 179.47 2k5f s ARG 42 N -1.50 0.84 0.04 1.13 1.81 -1.05 -4.42 118.95 115.81 2k5f s ARG 42 Ca -0.05 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 2k5f s ARG 42 Cb 0.01 0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2k5f s ARG 42 CO 0.07 -0.28 0.06 -0.06 -0.68 0.00 0.00 175.30 174.41 2k5f s PHE 43 N -2.92 3.18 0.94 -0.53 0.40 -1.26 -1.07 117.98 116.71 2k5f s PHE 43 Ca -0.02 0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.30 2k5f s PHE 43 Cb 0.00 -1.66 0.16 0.00 0.51 0.00 0.00 43.02 42.03 2k5f s PHE 43 CO -0.06 0.52 1.09 0.00 0.70 0.00 0.00 175.22 177.47 2k5f s ALA 44 N -1.27 1.22 -1.83 5.36 0.00 -0.48 -4.81 121.76 119.95 2k5f s ALA 44 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2k5f s ALA 44 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2k5f s ALA 44 CO 0.17 -2.63 0.22 -0.35 0.00 0.00 0.00 175.76 173.17 2k5f n PRO 45 N -4.08 0.00 0.00 0.00 -0.04 -1.26 -0.23 135.00 129.39 2k5f n PRO 45 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2k5f n PRO 45 Cb 0.55 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.69 0.62 0.00 1.53 4.77 -1.26 -4.96 117.00 117.00 2k5f n LEU 46 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2k5f n LEU 46 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k5f n LEU 46 CO 0.00 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2k5f n GLY 47 N -0.13 0.66 3.54 -0.72 0.00 0.68 -4.95 105.19 104.27 2k5f n GLY 47 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.55 -0.85 1.02 1.61 2.15 -1.26 -4.62 116.67 112.17 2k5f s ASP 48 Ca 0.00 1.36 -0.04 0.00 0.43 0.00 0.00 52.55 54.31 2k5f s ASP 48 Cb 0.00 1.41 0.05 0.00 -0.30 0.00 0.00 42.92 44.08 2k5f s ASP 48 CO 0.00 -0.23 0.25 -2.65 -0.17 0.00 0.00 175.17 172.37 2k5f n PRO 49 N 4.57 -0.63 -5.00 4.34 -0.02 -1.26 -4.68 135.00 132.31 2k5f n PRO 49 Ca -0.19 -0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 60.64 2k5f n PRO 49 Cb 0.56 -0.29 -0.16 0.00 -0.02 0.00 0.00 33.50 33.60 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 -1.51 1.62 -0.23 4.25 1.01 0.77 -1.39 121.20 125.72 2k5f s ILE 50 Ca 0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 2k5f s ILE 50 Cb -0.01 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2k5f s ILE 50 CO 0.10 0.46 0.05 -1.61 0.00 0.00 0.00 174.94 173.95 2k5f s GLU 51 N -0.44 3.69 0.01 2.79 2.02 -0.23 -1.88 118.70 124.66 2k5f s GLU 51 Ca 0.07 -0.47 0.05 0.00 0.02 0.00 0.00 54.97 54.64 2k5f s GLU 51 Cb -0.08 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 2k5f s GLU 51 CO -0.00 -0.08 -0.15 0.14 0.02 0.00 0.00 175.26 175.19 2k5f s VAL 52 N 1.30 1.18 -0.52 2.63 -7.23 -0.11 -0.71 120.40 116.94 2k5f s VAL 52 Ca 0.05 -0.77 -0.17 0.00 -1.81 0.00 0.00 61.98 59.27 2k5f s VAL 52 Cb -0.15 -1.01 0.08 0.00 0.56 0.00 0.00 36.38 35.87 2k5f s VAL 52 CO 0.03 0.22 0.55 0.21 -0.31 0.00 0.00 175.10 175.80 2k5f s ASN 53 N -0.64 6.19 -0.26 4.85 3.84 0.36 0.28 114.94 129.56 2k5f s ASN 53 Ca 0.05 -1.30 -0.05 0.00 0.21 0.00 0.00 52.86 51.77 2k5f s ASN 53 Cb -0.06 -2.25 0.01 0.00 -0.55 0.00 0.00 41.25 38.40 2k5f s ASN 53 CO 0.00 -0.86 0.01 0.00 -2.79 0.00 0.00 177.10 173.47 2k5f n ASN 55 N 4.80 -5.59 0.00 0.00 3.02 -0.90 -1.30 115.26 115.28 2k5f n ASN 55 Ca -0.16 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2k5f n ASN 55 Cb 0.49 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 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 -0.78 0.65 3.29 7.41 0.00 -1.26 -5.05 105.19 109.45 2k5f n GLY 56 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.76 3.26 -0.39 1.61 -1.94 -0.42 -5.08 119.30 115.59 2k5f s MET 57 Ca 0.00 -0.73 -0.26 0.00 -1.71 0.00 0.00 55.69 52.99 2k5f s MET 57 Cb 0.00 -2.63 0.02 0.00 2.01 0.00 0.00 34.83 34.22 2k5f s MET 57 CO 0.00 0.07 0.93 -0.51 -0.01 0.00 0.00 175.02 175.50 2k5f s LEU 58 N 0.70 3.98 -0.09 -0.03 1.02 -1.26 -0.03 118.68 122.97 2k5f s LEU 58 Ca -0.07 0.50 0.01 0.00 0.02 0.00 0.00 54.13 54.59 2k5f s LEU 58 Cb -0.16 -3.26 -0.02 0.00 0.02 0.00 0.00 46.19 42.77 2k5f s LEU 58 CO 0.02 -0.90 -0.11 -0.76 0.02 0.00 0.00 176.35 174.61 2k5f s LEU 59 N 3.56 2.87 -0.17 1.79 1.43 0.14 -4.94 118.68 123.36 2k5f s LEU 59 Ca 0.38 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2k5f s LEU 59 Cb -0.11 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2k5f s LEU 59 CO 0.20 0.27 -0.09 -0.89 0.23 0.00 0.00 176.35 176.07 2k5f s THR 60 N -0.25 3.28 0.20 5.49 2.01 -1.26 -0.94 115.64 124.17 2k5f s THR 60 Ca 0.02 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.38 2k5f s THR 60 Cb -0.13 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2k5f s THR 60 CO 0.03 0.49 0.32 0.00 -0.69 0.00 0.00 174.62 174.76 2k5f s MET 61 N 0.76 1.30 0.33 4.92 0.23 -0.79 -4.98 119.30 121.07 2k5f s MET 61 Ca -0.04 -1.29 -0.26 0.00 -1.03 0.00 0.00 55.69 53.07 2k5f s MET 61 Cb -0.15 0.39 -0.09 0.00 -1.53 0.00 0.00 34.83 33.44 2k5f s MET 61 CO 0.02 -0.49 0.99 1.03 -2.03 0.00 0.00 175.02 174.54 2k5f s ARG 62 N -4.02 4.51 0.35 3.16 1.81 -1.26 -0.16 118.95 123.33 2k5f s ARG 62 Ca 0.23 1.46 0.05 0.00 -1.72 0.00 0.00 55.73 55.76 2k5f s ARG 62 Cb 0.03 -2.84 0.70 0.00 -0.45 0.00 0.00 34.95 32.39 2k5f s ARG 62 CO 0.06 0.18 1.95 -0.09 -0.68 0.00 0.00 175.30 176.72 2k5f h ARG 63 N 3.19 0.78 -0.38 3.54 2.43 -1.87 -0.92 114.38 121.14 2k5f h ARG 63 Ca -0.47 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.70 2k5f h ARG 63 Cb 1.20 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 2k5f h ARG 63 CO 0.65 0.52 0.26 -2.95 -1.51 0.00 0.00 179.97 176.93 2k5f h ASN 64 N 0.80 0.29 0.30 -3.80 -1.07 -1.93 -0.00 115.58 110.17 2k5f h ASN 64 Ca 0.33 -0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.47 2k5f h ASN 64 Cb 0.26 -0.07 0.01 0.00 -2.07 0.00 0.00 38.32 36.45 2k5f h ASN 64 CO -0.11 0.20 -0.97 -0.33 0.07 0.00 0.00 177.43 176.28 2k5f h GLU 65 N 0.33 0.44 -0.11 4.14 4.39 -1.52 -3.07 114.58 119.19 2k5f h GLU 65 Ca 0.16 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 2k5f h GLU 65 Cb 0.23 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2k5f h GLU 65 CO -0.04 1.14 -0.08 0.00 -1.16 0.00 0.00 179.01 178.87 2k5f h ALA 66 N 0.69 1.66 -0.37 3.43 0.00 -0.83 -0.90 119.26 122.94 2k5f h ALA 66 Ca -0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2k5f h ALA 66 Cb 1.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2k5f h ALA 66 CO 0.17 0.25 -0.07 0.93 0.00 0.00 0.00 179.25 180.54 2k5f h GLU 67 N 0.16 0.63 0.00 0.00 5.08 -1.00 -1.36 114.58 118.09 2k5f h GLU 67 Ca 0.04 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2k5f h GLU 67 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k5f h GLU 67 CO 0.01 0.69 -0.01 0.78 -1.00 0.00 0.00 179.01 179.49 2k5f h GLY 68 N 0.94 0.00 -5.36 -3.84 0.00 -1.10 -3.44 103.07 90.27 2k5f h GLY 68 Ca 0.11 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.87 2k5f h GLY 68 CO 0.02 0.00 0.12 -0.42 0.00 0.00 0.00 176.54 176.26 2k5f s ILE 69 N -3.75 5.03 -0.23 2.60 1.01 -0.53 -1.60 121.20 123.73 2k5f s ILE 69 Ca 0.00 1.36 -0.08 0.00 0.00 0.00 0.00 60.65 61.93 2k5f s ILE 69 Cb 0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2k5f s ILE 69 CO 0.53 0.19 0.10 -0.89 0.00 0.00 0.00 174.94 174.87 2k5f s THR 70 N 1.26 4.75 0.18 2.92 2.01 0.15 -1.41 115.64 125.51 2k5f s THR 70 Ca 0.34 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.38 2k5f s THR 70 Cb -0.17 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2k5f s THR 70 CO 0.15 0.37 -0.14 0.68 -0.69 0.00 0.00 174.62 174.99 2k5f s VAL 71 N 1.13 1.59 -0.20 3.82 -7.23 0.07 -1.69 120.40 117.88 2k5f s VAL 71 Ca 0.05 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 2k5f s VAL 71 Cb -0.14 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.86 2k5f s VAL 71 CO 0.04 -0.60 -0.13 -2.28 -0.31 0.00 0.00 175.10 171.82 2k5f s HIS 72 N -2.93 2.87 0.32 2.82 5.65 0.56 -4.42 115.29 120.17 2k5f s HIS 72 Ca 0.20 -1.41 -0.29 0.00 0.25 0.00 0.00 55.06 53.81 2k5f s HIS 72 Cb -0.01 -2.00 -0.11 0.00 -1.18 0.00 0.00 32.58 29.29 2k5f s HIS 72 CO 0.05 -0.71 1.57 0.42 -0.65 0.00 0.00 174.74 175.41 2k5f s ILE 73 N 1.36 2.03 -1.35 0.89 1.01 -1.26 0.51 121.20 124.38 2k5f s ILE 73 Ca 0.05 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 2k5f s ILE 73 Cb -0.14 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.34 2k5f s ILE 73 CO -0.09 0.00 2.07 0.18 0.00 0.00 0.00 174.94 177.10 2k5f n LEU 74 N 1.57 6.03 0.00 2.97 4.77 0.76 -4.76 117.00 128.34 2k5f n LEU 74 Ca 0.06 -3.95 0.01 0.00 -0.03 0.00 0.00 56.01 52.09 2k5f n LEU 74 Cb 0.38 -1.64 0.01 0.00 -2.33 0.00 0.00 43.42 39.83 2k5f n LEU 74 CO 0.64 0.65 0.43 0.00 -1.33 0.00 0.00 177.39 177.77 2k5f n ALA 75 N 7.07 -1.40 0.00 -1.18 0.00 -1.26 -4.83 120.51 118.91 2k5f n ALA 75 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2k5f n ALA 75 Cb 0.41 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.36 3.47 3.71 0.00 0.00 -1.26 -5.07 105.19 105.67 2k5f n GLY 76 Ca 0.01 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2k5f n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5f s ASP 77 N 0.00 7.24 0.54 1.61 1.11 -1.26 -4.91 116.67 120.99 2k5f s ASP 77 Ca 0.00 1.80 0.28 0.00 0.18 0.00 0.00 52.55 54.81 2k5f s ASP 77 Cb 0.00 -2.57 1.52 0.00 1.07 0.00 0.00 42.92 42.94 2k5f s ASP 77 CO 0.00 -0.36 2.11 -0.08 1.18 0.00 0.00 175.17 178.02 2k5f h GLU 78 N 6.83 0.00 -0.00 8.23 4.81 -2.05 -1.40 114.58 131.00 2k5f h GLU 78 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2k5f h GLU 78 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k5f h GLU 78 CO 0.78 0.09 -0.01 0.41 -0.73 0.00 0.00 179.01 179.56 2k5f n GLY 79 N -0.83 -0.94 2.91 1.92 0.00 -1.26 -4.42 105.19 102.58 2k5f n GLY 79 Ca -0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2k5f n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k5f s HIS 80 N -2.14 3.24 -0.92 1.61 3.76 -0.53 -5.05 115.29 115.27 2k5f s HIS 80 Ca 0.42 -3.19 -0.22 0.00 -0.15 0.00 0.00 55.06 51.92 2k5f s HIS 80 Cb 0.21 -2.71 0.08 0.00 1.11 0.00 0.00 32.58 31.28 2k5f s HIS 80 CO 0.39 -0.67 1.26 -1.25 -0.85 0.00 0.00 174.74 173.62 2k5f s PRO 81 N -0.71 3.50 -0.34 8.40 0.05 -1.26 -4.77 135.00 139.86 2k5f s PRO 81 Ca 0.20 -1.23 0.01 0.00 0.05 0.00 0.00 61.00 60.03 2k5f s PRO 81 Cb -0.17 -4.95 0.09 0.00 0.05 0.00 0.00 34.50 29.51 2k5f s PRO 81 CO -0.07 -2.00 0.07 -1.01 0.05 0.00 0.00 177.00 174.04 2k5f s HIS 82 N 4.12 3.57 0.26 0.56 3.76 -1.26 -5.09 115.29 121.21 2k5f s HIS 82 Ca 0.37 -2.56 0.08 0.00 -0.15 0.00 0.00 55.06 52.80 2k5f s HIS 82 Cb -0.04 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.83 2k5f s HIS 82 CO -0.05 -0.92 -0.12 0.20 -0.85 0.00 0.00 174.74 173.00 2k5f s GLY 83 N 1.26 1.75 -0.01 -2.22 0.00 -1.26 -5.16 107.32 101.68 2k5f s GLY 83 Ca 0.05 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.91 2k5f s GLY 83 CO -0.05 -1.86 0.05 0.86 0.00 0.00 0.00 173.10 172.09 2k5f s TRP 84 N -2.86 0.02 0.00 1.90 -0.00 -1.26 -5.17 118.94 111.57 2k5f s TRP 84 Ca 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.35 2k5f s TRP 84 Cb 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 33.47 33.44 2k5f s TRP 84 CO 0.11 -0.09 0.00 -0.35 -0.00 0.00 0.00 176.95 176.62 2k5f n PRO 85 N 2.56 0.40 0.00 5.86 -0.04 -1.26 -5.13 135.00 137.39 2k5f n PRO 85 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2k5f n PRO 85 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 5.00 2.19 1.16 0.55 0.00 -1.26 -5.11 105.19 107.72 2k5f n GLY 86 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k5f n GLY 86 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k5f n PHE 87 N -0.39 -0.03 -3.14 1.61 3.72 -1.26 -5.04 117.46 112.93 2k5f n PHE 87 Ca 0.00 0.01 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 2k5f n PHE 87 Cb 0.00 0.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.67 2k5f n PHE 87 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2k5f n ARG 88 N -2.57 -5.50 -2.52 -1.08 1.74 -1.26 -4.92 116.66 100.56 2k5f n ARG 88 Ca 0.00 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 2k5f n ARG 88 Cb 0.00 -5.66 -0.03 0.00 -1.02 0.00 0.00 32.46 25.75 2k5f n ARG 88 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2k5f s ARG 89 N -5.81 3.26 0.06 5.56 3.52 -1.26 -4.98 118.95 119.30 2k5f s ARG 89 Ca 0.36 -0.45 -0.25 0.00 -0.13 0.00 0.00 55.73 55.27 2k5f s ARG 89 Cb -0.16 -4.54 -0.06 0.00 -1.56 0.00 0.00 34.95 28.63 2k5f s ARG 89 CO 0.45 -2.22 0.77 0.50 -0.81 0.00 0.00 175.30 173.99 2k5f s ARG 90 N 5.62 4.50 0.64 5.12 3.52 -1.26 -5.02 118.95 132.07 2k5f s ARG 90 Ca 0.40 1.08 -0.18 0.00 -0.13 0.00 0.00 55.73 56.90 2k5f s ARG 90 Cb -0.06 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2k5f s ARG 90 CO 0.08 0.32 1.25 -1.01 -0.81 0.00 0.00 175.30 175.13 2k5f s HIS 91 N -0.19 2.18 0.00 5.12 3.76 -1.26 -5.03 115.29 119.86 2k5f s HIS 91 Ca 0.38 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.80 2k5f s HIS 91 Cb -0.21 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 29.89 2k5f s HIS 91 CO 0.23 -2.65 0.00 2.89 -0.85 0.00 0.00 174.74 174.36 2k5f n ARG 92 N -1.91 2.97 -2.39 1.40 -4.01 -1.26 -4.98 116.66 106.48 2k5f n ARG 92 Ca 0.15 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.94 2k5f n ARG 92 Cb 0.49 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.91 2k5f n ARG 92 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 2k5f n PHE 93 N -0.07 -2.72 -4.20 2.89 7.35 -1.26 -5.08 117.46 114.37 2k5f n PHE 93 Ca 0.00 1.17 -0.13 0.00 -0.76 0.00 0.00 57.45 57.73 2k5f n PHE 93 Cb 0.00 -3.30 -0.10 0.00 0.35 0.00 0.00 39.48 36.43 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 -1.46 0.90 0.10 7.13 0.00 -1.26 -5.13 107.32 107.61 2k5f s GLY 94 Ca 0.06 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2k5f s GLY 94 CO 0.55 -1.46 1.10 0.54 0.00 0.00 0.00 173.10 173.83 2k5f s LYS 95 N -3.55 4.54 -0.14 2.90 1.02 -1.26 -5.03 119.74 118.21 2k5f s LYS 95 Ca 0.12 1.66 -0.00 0.00 0.02 0.00 0.00 55.97 57.77 2k5f s LYS 95 Cb 0.02 -3.34 0.03 0.00 -0.52 0.00 0.00 37.83 34.02 2k5f s LYS 95 CO -0.02 -0.05 -0.09 1.03 -0.92 0.00 0.00 175.35 175.30 2k5f s ARG 96 N 0.39 1.80 -0.11 1.68 3.00 -1.26 -4.99 118.95 119.46 2k5f s ARG 96 Ca 0.53 -0.47 0.06 0.00 0.00 0.00 0.00 55.73 55.85 2k5f s ARG 96 Cb -0.27 -1.93 0.37 0.00 0.00 0.00 0.00 34.95 33.12 2k5f s ARG 96 CO 0.31 -0.31 1.07 0.00 0.00 0.00 0.00 175.30 176.37 2k5f n ALA 97 N 4.85 3.14 -1.81 2.13 0.00 -1.26 -4.88 120.51 122.68 2k5f n ALA 97 Ca -0.14 -0.87 -0.40 0.00 0.00 0.00 0.00 53.44 52.03 2k5f n ALA 97 Cb 0.49 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2k5f n ALA 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k5f s LEU 98 N -1.25 3.42 -0.69 0.00 1.98 -1.26 -4.91 118.68 115.98 2k5f s LEU 98 Ca 0.25 1.17 -0.03 0.00 -2.89 0.00 0.00 54.13 52.63 2k5f s LEU 98 Cb 0.19 -3.06 0.18 0.00 0.66 0.00 0.00 46.19 44.16 2k5f s LEU 98 CO 0.07 -2.20 0.52 -0.70 -1.89 0.00 0.00 176.35 172.15 2k5f s GLU 99 N 6.75 2.76 0.36 1.98 2.12 -1.26 -5.05 118.70 126.36 2k5f s GLU 99 Ca 0.86 -2.66 0.09 0.00 0.36 0.00 0.00 54.97 53.62 2k5f s GLU 99 Cb -0.21 -3.82 -0.07 0.00 0.26 0.00 0.00 34.13 30.29 2k5f s GLU 99 CO 0.29 -1.20 -0.06 -1.01 -0.54 0.00 0.00 175.26 172.75 2k5f s HIS 100 N -0.28 2.45 -0.49 5.30 3.76 -1.26 -4.88 115.29 119.88 2k5f s HIS 100 Ca 0.19 -0.53 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2k5f s HIS 100 Cb -0.17 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2k5f s HIS 100 CO -0.05 0.54 0.48 0.72 -0.85 0.00 0.00 174.74 175.58 2k5f n HIS 101 N -0.86 -2.14 0.99 1.40 8.25 -1.26 -4.93 115.22 116.67 2k5f n HIS 101 Ca -0.05 0.82 0.08 0.00 -0.26 0.00 0.00 57.72 58.32 2k5f n HIS 101 Cb 0.64 -3.33 0.26 0.00 1.12 0.00 0.00 29.99 28.68 2k5f n HIS 101 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k5f n HIS 102 N -1.38 0.37 -3.16 4.41 -0.00 -1.26 -5.04 115.22 109.15 2k5f n HIS 102 Ca 0.01 -0.18 0.03 0.00 -0.00 0.00 0.00 57.72 57.58 2k5f n HIS 102 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.46 2k5f n HIS 102 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5f n HIS 103 N 0.49 -1.95 -2.90 -1.40 8.25 -1.26 -4.95 115.22 111.50 2k5f n HIS 103 Ca 0.14 0.31 -0.16 0.00 -0.26 0.00 0.00 57.72 57.75 2k5f n HIS 103 Cb 0.33 -0.48 0.03 0.00 1.12 0.00 0.00 29.99 30.99 2k5f n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5f n HIS 104 N -1.53 -1.54 -0.69 4.41 8.25 -1.26 -5.26 115.22 117.59 2k5f n HIS 104 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 2k5f n HIS 104 Cb 0.11 -3.59 0.00 0.00 1.12 0.00 0.00 29.99 27.64 2k5f n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70