#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 3.63 0.36 2.12 3.01 -1.26 -0.07 119.74 127.54 2k5f s LYS 2 Ca 0.00 0.99 0.10 0.00 -1.01 0.00 0.00 55.97 56.05 2k5f s LYS 2 Cb 0.00 -2.09 0.70 0.00 -1.01 0.00 0.00 37.83 35.44 2k5f s LYS 2 CO 0.00 -0.54 1.85 1.25 0.51 0.00 0.00 175.35 178.42 2k5f h LEU 3 N 0.45 0.18 -0.10 3.17 5.85 -0.67 -2.04 115.31 122.15 2k5f h LEU 3 Ca -0.46 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2k5f h LEU 3 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2k5f h LEU 3 CO 0.60 0.43 0.00 -1.54 -0.34 0.00 0.00 178.44 177.59 2k5f n SER 4 N -4.18 0.49 -0.12 1.25 3.41 -1.19 -2.82 113.62 110.45 2k5f n SER 4 Ca -0.01 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 2k5f n SER 4 Cb 0.34 -0.69 0.45 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.98 0.52 -1.67 4.33 -0.58 -0.77 -4.89 120.64 115.61 2k5f n GLU 5 Ca 0.05 -0.25 -0.30 0.00 -0.42 0.00 0.00 57.16 56.25 2k5f n GLU 5 Cb 0.35 -1.49 0.19 0.00 -0.57 0.00 0.00 31.44 29.92 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 -2.65 2.10 0.35 -4.62 1.43 -1.13 -4.95 118.68 109.22 2k5f s LEU 6 Ca 0.22 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2k5f s LEU 6 Cb 0.19 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2k5f s LEU 6 CO 0.55 -3.04 0.06 -1.59 0.23 0.00 0.00 176.35 172.55 2k5f s LYS 7 N -5.69 1.74 -0.20 1.70 -2.85 -1.26 -5.06 119.74 108.12 2k5f s LYS 7 Ca 0.72 -1.98 -0.29 0.00 -1.00 0.00 0.00 55.97 53.42 2k5f s LYS 7 Cb -0.07 -0.98 -0.04 0.00 -2.06 0.00 0.00 37.83 34.68 2k5f s LYS 7 CO 0.54 -0.20 1.86 0.00 0.10 0.00 0.00 175.35 177.65 2k5f s ALA 8 N -3.19 3.12 0.00 0.59 0.00 -1.26 -1.77 121.76 119.24 2k5f s ALA 8 Ca 0.34 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2k5f s ALA 8 Cb 0.08 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2k5f s ALA 8 CO 0.15 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 174.11 2k5f n GLY 9 N 5.05 1.43 3.77 0.00 0.00 0.14 -4.98 105.19 110.60 2k5f n GLY 9 Ca 0.22 0.00 -0.40 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 -1.95 6.67 -0.18 1.61 1.01 -0.73 -4.78 116.67 118.32 2k5f s ASP 10 Ca 0.00 2.50 -0.00 0.00 0.71 0.00 0.00 52.55 55.76 2k5f s ASP 10 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 2k5f s ASP 10 CO 0.00 -0.58 -0.15 -0.13 0.21 0.00 0.00 175.17 174.52 2k5f s ARG 11 N -2.00 3.13 0.04 8.23 0.52 -1.26 -1.07 118.95 126.55 2k5f s ARG 11 Ca 0.52 -0.76 -0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2k5f s ARG 11 Cb -0.35 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 2k5f s ARG 11 CO 0.45 -0.15 0.04 0.00 0.02 0.00 0.00 175.30 175.66 2k5f s ALA 12 N 1.22 0.13 -0.09 2.13 0.00 -0.13 0.25 121.76 125.27 2k5f s ALA 12 Ca 0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2k5f s ALA 12 Cb -0.14 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2k5f s ALA 12 CO -0.07 -0.32 -0.00 -1.83 0.00 0.00 0.00 175.76 173.53 2k5f s GLU 13 N -2.88 3.07 0.05 0.00 -1.05 0.36 -0.54 118.70 117.72 2k5f s GLU 13 Ca -0.03 -0.43 -0.31 0.00 -0.15 0.00 0.00 54.97 54.06 2k5f s GLU 13 Cb 0.00 -2.81 -0.06 0.00 -0.44 0.00 0.00 34.13 30.83 2k5f s GLU 13 CO -0.06 0.64 1.33 0.08 0.95 0.00 0.00 175.26 178.20 2k5f s VAL 14 N -0.71 3.69 -0.22 1.83 1.01 -0.72 -0.72 120.40 124.56 2k5f s VAL 14 Ca 0.11 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 2k5f s VAL 14 Cb -0.12 -3.75 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 2k5f s VAL 14 CO 0.02 0.06 -0.04 0.35 0.00 0.00 0.00 175.10 175.49 2k5f n THR 15 N 4.20 1.59 -3.64 3.92 -2.24 0.03 -0.13 114.28 118.01 2k5f n THR 15 Ca 0.11 -0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 2k5f n THR 15 Cb 0.44 -1.61 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 2k5f n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k5f s SER 16 N -6.82 -0.61 -0.27 3.42 1.04 -1.10 -4.69 113.70 104.68 2k5f s SER 16 Ca -0.31 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.18 2k5f s SER 16 Cb 0.09 1.04 0.06 0.00 0.10 0.00 0.00 66.02 67.30 2k5f s SER 16 CO 0.64 -0.31 -0.08 0.54 0.98 0.00 0.00 173.24 175.00 2k5f s VAL 17 N -0.12 2.35 -0.62 5.02 0.11 -1.26 0.01 120.40 125.89 2k5f s VAL 17 Ca -0.03 -1.59 -0.21 0.00 -2.93 0.00 0.00 61.98 57.22 2k5f s VAL 17 Cb -0.03 -2.38 0.08 0.00 -1.53 0.00 0.00 36.38 32.52 2k5f s VAL 17 CO 0.03 -0.05 0.83 0.00 -3.33 0.00 0.00 175.10 172.58 2k5f s ALA 18 N 1.13 3.26 0.20 1.54 0.00 -0.57 -4.92 121.76 122.41 2k5f s ALA 18 Ca -0.08 -1.99 -0.20 0.00 0.00 0.00 0.00 51.96 49.69 2k5f s ALA 18 Cb -0.20 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.28 2k5f s ALA 18 CO -0.04 -2.53 0.59 0.00 0.00 0.00 0.00 175.76 173.78 2k5f s ALA 19 N 3.37 -1.24 0.48 0.00 0.00 -1.26 -4.29 121.76 118.81 2k5f s ALA 19 Ca 0.17 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.92 2k5f s ALA 19 Cb -0.20 0.86 -0.07 0.00 0.00 0.00 0.00 23.12 23.71 2k5f s ALA 19 CO 0.09 -0.84 1.34 -1.21 0.00 0.00 0.00 175.76 175.14 2k5f s GLU 20 N -3.84 3.51 0.23 0.00 0.41 -1.26 -4.65 118.70 113.11 2k5f s GLU 20 Ca 0.06 2.21 -0.09 0.00 -0.41 0.00 0.00 54.97 56.75 2k5f s GLU 20 Cb -0.02 -2.47 0.36 0.00 -1.78 0.00 0.00 34.13 30.22 2k5f s GLU 20 CO -0.04 -0.88 1.64 -1.00 -0.49 0.00 0.00 175.26 174.48 2k5f h PRO 21 N 1.99 0.09 -1.00 0.39 0.13 -1.99 0.29 132.00 131.90 2k5f h PRO 21 Ca -0.50 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2k5f h PRO 21 Cb 1.27 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2k5f h PRO 21 CO 0.60 0.06 0.66 0.00 -0.23 0.00 0.00 178.00 179.08 2k5f h ALA 22 N 1.65 1.32 -0.02 -0.56 0.00 -2.00 0.27 119.26 119.92 2k5f h ALA 22 Ca 0.37 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2k5f h ALA 22 Cb 0.62 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k5f h ALA 22 CO -0.62 0.57 -0.51 0.28 0.00 0.00 0.00 179.25 178.96 2k5f h VAL 23 N 1.28 1.43 -0.87 0.00 2.07 -1.46 -3.20 116.25 115.51 2k5f h VAL 23 Ca 0.39 -1.98 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2k5f h VAL 23 Cb -0.02 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2k5f h VAL 23 CO -0.12 0.58 0.58 -0.09 0.02 0.00 0.00 177.57 178.53 2k5f h ARG 24 N -0.12 1.14 -0.56 1.57 2.43 -0.13 -2.47 114.38 116.24 2k5f h ARG 24 Ca -0.06 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2k5f h ARG 24 Cb 1.21 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 2k5f h ARG 24 CO 0.10 0.76 0.31 -0.09 -1.51 0.00 0.00 179.97 179.54 2k5f h ARG 25 N 1.18 0.59 -0.66 0.20 9.65 -0.54 0.79 114.38 125.59 2k5f h ARG 25 Ca 0.32 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.19 2k5f h ARG 25 Cb -0.13 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.27 2k5f h ARG 25 CO -0.07 0.39 0.41 0.00 2.80 0.00 0.00 179.97 183.50 2k5f h ARG 26 N 0.61 0.78 -0.69 0.20 3.08 -1.44 0.91 114.38 117.82 2k5f h ARG 26 Ca 0.24 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 2k5f h ARG 26 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2k5f h ARG 26 CO -0.14 0.51 0.18 -0.07 -1.07 0.00 0.00 179.97 179.39 2k5f h LEU 27 N 0.80 1.02 -0.65 3.04 3.38 -1.02 -1.73 115.31 120.15 2k5f h LEU 27 Ca 0.27 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k5f h LEU 27 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2k5f h LEU 27 CO -0.11 0.97 -0.14 0.24 0.09 0.00 0.00 178.44 179.49 2k5f h MET 28 N 1.04 0.90 -0.28 1.13 2.86 -0.06 0.22 114.93 120.74 2k5f h MET 28 Ca 0.22 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 2k5f h MET 28 Cb 0.34 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2k5f h MET 28 CO -0.00 0.99 -0.13 -0.44 1.06 0.00 0.00 176.91 178.39 2k5f h ASP 29 N 0.80 0.45 -0.38 1.22 3.32 -0.56 -2.49 116.42 118.78 2k5f h ASP 29 Ca 0.12 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2k5f h ASP 29 Cb 0.68 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2k5f h ASP 29 CO 0.05 0.61 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.81 2k5f h LEU 30 N 0.43 0.96 0.00 1.55 3.38 -0.84 -3.47 115.31 117.33 2k5f h LEU 30 Ca 0.08 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2k5f h LEU 30 Cb 0.48 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k5f h LEU 30 CO 0.03 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.35 2k5f n GLY 31 N -0.01 0.37 3.56 0.83 0.00 -0.48 -4.93 105.19 104.52 2k5f n GLY 31 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.28 0.33 0.99 0.20 0.65 -4.72 118.68 119.41 2k5f s LEU 32 Ca 0.00 -0.61 0.06 0.00 0.69 0.00 0.00 54.13 54.27 2k5f s LEU 32 Cb 0.00 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.17 2k5f s LEU 32 CO 0.00 -2.18 0.25 0.68 -0.29 0.00 0.00 176.35 174.81 2k5f s VAL 33 N 7.76 0.06 -0.04 1.68 -7.23 -1.26 -3.57 120.40 117.80 2k5f s VAL 33 Ca 0.57 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.42 2k5f s VAL 33 Cb -0.06 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 2k5f s VAL 33 CO 0.04 0.00 1.95 -1.14 -0.31 0.00 0.00 175.10 175.64 2k5f n ARG 34 N -0.63 2.50 0.00 4.82 0.63 -1.26 -1.43 116.66 121.30 2k5f n ARG 34 Ca 0.06 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 2k5f n ARG 34 Cb 0.63 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.69 2k5f n ARG 34 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5f n GLY 35 N 4.57 0.30 3.70 5.14 0.00 0.81 -4.97 105.19 114.75 2k5f n GLY 35 Ca 0.22 0.00 -0.42 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 -2.06 3.61 0.02 4.61 0.00 -0.51 -4.71 121.76 122.72 2k5f s ALA 36 Ca 0.00 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 2k5f s ALA 36 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2k5f s ALA 36 CO 0.00 -0.84 0.80 0.15 0.00 0.00 0.00 175.76 175.87 2k5f s LYS 37 N 1.92 4.51 0.04 0.00 1.02 -1.26 -1.76 119.74 124.21 2k5f s LYS 37 Ca 0.66 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.78 2k5f s LYS 37 Cb -0.36 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2k5f s LYS 37 CO 0.29 0.19 -0.06 -0.48 -0.92 0.00 0.00 175.35 174.37 2k5f s LEU 38 N 0.27 2.31 -0.11 3.17 0.05 0.30 -1.44 118.68 123.23 2k5f s LEU 38 Ca 0.41 -0.64 0.03 0.00 0.05 0.00 0.00 54.13 53.98 2k5f s LEU 38 Cb -0.20 -0.04 -0.00 0.00 -2.05 0.00 0.00 46.19 43.90 2k5f s LEU 38 CO 0.23 -0.31 -0.22 -0.75 -0.55 0.00 0.00 176.35 174.76 2k5f s LYS 39 N -2.07 3.11 -0.23 1.48 2.20 0.29 -0.96 119.74 123.55 2k5f s LYS 39 Ca -0.07 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.41 2k5f s LYS 39 Cb -0.06 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 2k5f s LYS 39 CO -0.02 0.16 1.38 0.08 -0.36 0.00 0.00 175.35 176.59 2k5f s VAL 40 N 0.42 4.04 -0.15 4.02 1.01 -0.23 0.10 120.40 129.61 2k5f s VAL 40 Ca -0.16 1.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 2k5f s VAL 40 Cb -0.17 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2k5f s VAL 40 CO 0.07 -0.32 -0.03 -0.07 0.00 0.00 0.00 175.10 174.75 2k5f h LEU 41 N 10.72 0.00 -7.28 3.92 3.38 -1.12 0.40 115.31 125.33 2k5f h LEU 41 Ca -0.29 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2k5f h LEU 41 Cb 1.12 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 2k5f h LEU 41 CO 1.00 0.87 0.00 -0.60 0.09 0.00 0.00 178.44 179.81 2k5f s ARG 42 N -2.15 1.11 0.12 1.13 3.52 -0.71 -4.51 118.95 117.46 2k5f s ARG 42 Ca -0.15 -0.60 0.09 0.00 -0.13 0.00 0.00 55.73 54.93 2k5f s ARG 42 Cb 0.02 0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 33.87 2k5f s ARG 42 CO 0.28 -0.45 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.07 2k5f s PHE 43 N -3.65 2.50 0.95 5.12 0.40 -1.26 -0.67 117.98 121.38 2k5f s PHE 43 Ca 0.02 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 2k5f s PHE 43 Cb 0.01 -1.33 0.16 0.00 0.51 0.00 0.00 43.02 42.37 2k5f s PHE 43 CO -0.11 0.38 1.09 0.00 0.70 0.00 0.00 175.22 177.27 2k5f s ALA 44 N -1.13 1.19 -1.82 5.36 0.00 -0.53 -4.82 121.76 120.01 2k5f s ALA 44 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2k5f s ALA 44 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2k5f s ALA 44 CO 0.09 -2.64 0.13 -0.35 0.00 0.00 0.00 175.76 172.99 2k5f n PRO 45 N -4.08 0.00 0.00 0.00 -0.04 -1.26 -0.52 135.00 129.10 2k5f n PRO 45 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2k5f n PRO 45 Cb 0.56 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.60 0.39 0.00 1.53 4.77 -1.26 -4.97 117.00 116.87 2k5f n LEU 46 Ca 0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 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 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2k5f n GLY 47 N 0.05 1.68 3.18 -0.72 0.00 0.32 -4.98 105.19 104.72 2k5f n GLY 47 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.31 -0.37 1.03 1.61 2.15 -1.26 -4.52 116.67 111.99 2k5f s ASP 48 Ca 0.00 0.69 -0.09 0.00 0.43 0.00 0.00 52.55 53.58 2k5f s ASP 48 Cb 0.00 0.61 0.13 0.00 -0.30 0.00 0.00 42.92 43.36 2k5f s ASP 48 CO 0.00 -0.16 0.69 -0.81 -0.17 0.00 0.00 175.17 174.72 2k5f n PRO 49 N 3.86 -0.98 -5.25 4.34 -0.04 -1.26 -4.59 135.00 131.07 2k5f n PRO 49 Ca -0.21 -1.07 -0.31 0.00 -0.04 0.00 0.00 63.50 61.87 2k5f n PRO 49 Cb 0.55 -0.76 -0.16 0.00 -0.04 0.00 0.00 33.50 33.09 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 -2.46 2.05 -0.23 0.52 1.01 0.73 -1.45 121.20 121.37 2k5f s ILE 50 Ca 0.40 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2k5f s ILE 50 Cb -0.02 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 2k5f s ILE 50 CO 0.28 0.55 -0.04 -1.61 0.00 0.00 0.00 174.94 174.13 2k5f s GLU 51 N -0.69 3.30 0.18 2.79 2.02 0.16 -2.21 118.70 124.25 2k5f s GLU 51 Ca 0.10 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.48 2k5f s GLU 51 Cb -0.10 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.06 2k5f s GLU 51 CO -0.01 -0.23 -0.13 0.14 0.02 0.00 0.00 175.26 175.05 2k5f s VAL 52 N 1.46 1.51 -0.41 2.63 -7.23 0.02 -0.50 120.40 117.88 2k5f s VAL 52 Ca 0.05 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 2k5f s VAL 52 Cb -0.15 -1.94 0.10 0.00 0.56 0.00 0.00 36.38 34.96 2k5f s VAL 52 CO -0.03 -0.64 0.23 0.21 -0.31 0.00 0.00 175.10 174.56 2k5f s ASN 53 N -3.20 5.39 -0.17 4.85 3.84 0.11 0.07 114.94 125.85 2k5f s ASN 53 Ca 0.19 -1.84 -0.02 0.00 0.21 0.00 0.00 52.86 51.40 2k5f s ASN 53 Cb 0.00 -1.89 -0.01 0.00 -0.55 0.00 0.00 41.25 38.80 2k5f s ASN 53 CO 0.04 -0.55 -0.08 0.00 -2.79 0.00 0.00 177.10 173.72 2k5f n ASN 55 N 4.01 -5.28 0.00 0.00 3.02 -0.52 -0.70 115.26 115.80 2k5f n ASN 55 Ca -0.18 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2k5f n ASN 55 Cb 0.52 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 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 -0.73 0.82 3.69 7.41 0.00 -1.26 -5.03 105.19 110.08 2k5f n GLY 56 Ca -0.19 0.00 -0.35 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 -0.35 3.61 -0.53 1.61 0.00 0.13 -5.05 119.30 118.72 2k5f s MET 57 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 55.69 55.08 2k5f s MET 57 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 34.83 31.76 2k5f s MET 57 CO 0.00 0.48 1.37 -0.51 0.00 0.00 0.00 175.02 176.36 2k5f s LEU 58 N -0.22 3.46 -0.08 4.11 2.01 -1.26 -0.69 118.68 126.01 2k5f s LEU 58 Ca 0.08 0.38 -0.01 0.00 0.01 0.00 0.00 54.13 54.59 2k5f s LEU 58 Cb -0.12 -3.20 -0.03 0.00 0.01 0.00 0.00 46.19 42.85 2k5f s LEU 58 CO 0.01 -1.60 -0.04 -0.76 1.01 0.00 0.00 176.35 174.98 2k5f s LEU 59 N 5.69 3.35 -0.11 1.79 1.43 0.11 -4.98 118.68 125.97 2k5f s LEU 59 Ca 0.53 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.66 2k5f s LEU 59 Cb -0.11 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2k5f s LEU 59 CO 0.27 0.35 -0.06 -0.89 0.23 0.00 0.00 176.35 176.25 2k5f s THR 60 N -0.74 0.90 0.27 5.49 2.01 -1.26 -0.80 115.64 121.51 2k5f s THR 60 Ca 0.11 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 2k5f s THR 60 Cb -0.11 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2k5f s THR 60 CO 0.02 0.33 0.31 0.00 -0.69 0.00 0.00 174.62 174.60 2k5f s MET 61 N 1.76 1.57 0.57 4.92 0.23 -0.94 -5.00 119.30 122.41 2k5f s MET 61 Ca 0.05 -1.68 -0.01 0.00 -1.03 0.00 0.00 55.69 53.02 2k5f s MET 61 Cb -0.13 0.36 0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2k5f s MET 61 CO -0.08 -0.60 0.81 1.03 -2.03 0.00 0.00 175.02 174.16 2k5f s ARG 62 N -3.69 2.61 0.47 3.16 3.00 -1.26 -0.19 118.95 123.04 2k5f s ARG 62 Ca 0.34 -0.55 0.21 0.00 0.00 0.00 0.00 55.73 55.73 2k5f s ARG 62 Cb 0.03 -2.42 1.16 0.00 0.00 0.00 0.00 34.95 33.72 2k5f s ARG 62 CO 0.17 -0.74 1.99 -0.09 0.00 0.00 0.00 175.30 176.64 2k5f h ARG 63 N -0.03 0.00 -0.64 3.54 2.43 -1.91 -2.50 114.38 115.27 2k5f h ARG 63 Ca -0.44 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.84 2k5f h ARG 63 Cb 1.29 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.76 2k5f h ARG 63 CO 0.55 0.19 0.22 -0.91 -1.51 0.00 0.00 179.97 178.51 2k5f h ASN 64 N 0.00 0.18 -0.15 -3.80 2.35 -1.99 0.36 115.58 112.54 2k5f h ASN 64 Ca -0.00 0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 2k5f h ASN 64 Cb 0.41 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2k5f h ASN 64 CO 0.02 0.10 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.20 2k5f h GLU 65 N 0.38 0.51 -0.69 0.81 3.07 -1.83 -3.28 114.58 113.55 2k5f h GLU 65 Ca 0.33 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2k5f h GLU 65 Cb 0.46 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 2k5f h GLU 65 CO -0.35 0.97 0.39 0.00 -1.40 0.00 0.00 179.01 178.61 2k5f h ALA 66 N 0.54 1.39 -0.92 3.43 0.00 -0.86 -0.79 119.26 122.05 2k5f h ALA 66 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k5f h ALA 66 Cb 0.98 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2k5f h ALA 66 CO 0.08 0.51 0.61 0.93 0.00 0.00 0.00 179.25 181.38 2k5f h GLU 67 N 0.95 1.19 -0.07 0.00 4.39 -0.41 -1.87 114.58 118.77 2k5f h GLU 67 Ca 0.25 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 2k5f h GLU 67 Cb 0.01 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 2k5f h GLU 67 CO -0.04 0.78 -0.31 0.78 -1.16 0.00 0.00 179.01 179.06 2k5f h GLY 68 N 1.22 0.13 -5.04 -3.84 0.00 -1.24 -3.43 103.07 90.87 2k5f h GLY 68 Ca 0.34 -0.10 -0.58 0.00 0.00 0.00 0.00 47.33 47.00 2k5f h GLY 68 CO -0.08 0.09 0.71 -0.42 0.00 0.00 0.00 176.54 176.84 2k5f s ILE 69 N -4.34 4.72 -0.20 2.60 1.01 -0.63 -1.51 121.20 122.84 2k5f s ILE 69 Ca -0.04 2.00 -0.10 0.00 0.00 0.00 0.00 60.65 62.51 2k5f s ILE 69 Cb 0.14 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2k5f s ILE 69 CO 0.74 -0.12 0.13 -0.89 0.00 0.00 0.00 174.94 174.79 2k5f s THR 70 N 2.87 5.38 0.28 2.92 2.01 0.10 -0.62 115.64 128.58 2k5f s THR 70 Ca 0.44 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.67 2k5f s THR 70 Cb -0.16 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 2k5f s THR 70 CO 0.09 0.43 -0.00 0.68 -0.69 0.00 0.00 174.62 175.12 2k5f s VAL 71 N 0.45 1.35 -0.09 3.82 -7.23 0.90 -0.79 120.40 118.82 2k5f s VAL 71 Ca 0.08 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2k5f s VAL 71 Cb -0.11 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.30 2k5f s VAL 71 CO -0.01 -0.20 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.22 2k5f s HIS 72 N -3.20 1.28 0.22 2.82 2.46 0.10 -4.29 115.29 114.67 2k5f s HIS 72 Ca 0.32 -0.55 -0.30 0.00 0.47 0.00 0.00 55.06 55.00 2k5f s HIS 72 Cb 0.06 -1.06 -0.09 0.00 -0.13 0.00 0.00 32.58 31.35 2k5f s HIS 72 CO 0.12 -0.39 1.40 0.42 -2.47 0.00 0.00 174.74 173.82 2k5f s ILE 73 N 1.38 2.90 -1.08 0.89 1.01 -1.26 -0.49 121.20 124.56 2k5f s ILE 73 Ca -0.02 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 2k5f s ILE 73 Cb -0.14 -3.47 0.24 0.00 0.01 0.00 0.00 42.46 39.11 2k5f s ILE 73 CO -0.04 0.11 1.12 -0.76 0.00 0.00 0.00 174.94 175.37 2k5f s LEU 74 N -0.10 6.13 -0.29 2.97 1.43 0.14 -4.88 118.68 124.07 2k5f s LEU 74 Ca 0.59 -3.29 0.02 0.00 -1.03 0.00 0.00 54.13 50.42 2k5f s LEU 74 Cb -0.40 -2.25 0.20 0.00 0.03 0.00 0.00 46.19 43.77 2k5f s LEU 74 CO 0.40 -0.44 0.65 0.00 0.23 0.00 0.00 176.35 177.19 2k5f s ALA 75 N -0.38 -2.57 -0.24 4.21 0.00 -1.26 -4.86 121.76 116.65 2k5f s ALA 75 Ca 0.31 1.25 0.20 0.00 0.00 0.00 0.00 51.96 53.72 2k5f s ALA 75 Cb -0.08 -2.50 0.49 0.00 0.00 0.00 0.00 23.12 21.03 2k5f s ALA 75 CO -0.07 -1.75 1.13 0.41 0.00 0.00 0.00 175.76 175.49 2k5f n GLY 76 N 5.39 2.69 2.52 0.00 0.00 -1.26 -4.95 105.19 109.57 2k5f n GLY 76 Ca 0.04 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 2k5f n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k5f n ASP 77 N -0.52 -5.36 -2.71 1.61 8.00 -1.26 -4.98 116.55 111.33 2k5f n ASP 77 Ca 0.14 0.37 -0.08 0.00 0.71 0.00 0.00 54.79 55.94 2k5f n ASP 77 Cb 0.86 -4.53 0.05 0.00 -0.02 0.00 0.00 41.12 37.48 2k5f n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k5f n GLU 78 N -2.53 0.12 -1.12 -1.24 1.02 -1.26 -4.92 120.64 110.72 2k5f n GLU 78 Ca -0.20 -0.76 -0.22 0.00 -0.02 0.00 0.00 57.16 55.96 2k5f n GLU 78 Cb 0.64 -0.28 -0.12 0.00 -0.02 0.00 0.00 31.44 31.67 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 2.57 3.46 3.92 0.62 0.00 -1.26 -4.93 105.19 109.58 2k5f n GLY 79 Ca 0.05 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 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 1.41 3.21 0.45 1.61 -3.43 -1.26 -5.03 115.29 112.24 2k5f s HIS 80 Ca 0.68 0.57 -0.23 0.00 -0.80 0.00 0.00 55.06 55.28 2k5f s HIS 80 Cb 0.27 -2.73 -0.10 0.00 -1.43 0.00 0.00 32.58 28.59 2k5f s HIS 80 CO -0.02 -0.82 0.88 -2.30 -2.00 0.00 0.00 174.74 170.48 2k5f n PRO 81 N -2.55 1.09 -2.47 -0.38 -0.02 -1.26 -5.01 135.00 124.39 2k5f n PRO 81 Ca 0.05 0.39 -0.25 0.00 -2.02 0.00 0.00 63.50 61.67 2k5f n PRO 81 Cb 0.58 -1.92 0.13 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.36 1.37 0.00 6.00 -3.43 -1.26 -5.12 115.29 111.49 2k5f s HIS 82 Ca 0.65 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 2k5f s HIS 82 Cb -0.55 -3.23 0.00 0.00 -1.43 0.00 0.00 32.58 27.37 2k5f s HIS 82 CO 0.56 -2.01 0.00 0.41 -2.00 0.00 0.00 174.74 171.70 2k5f n GLY 83 N -3.07 1.32 3.16 -1.38 0.00 -1.26 -5.13 105.19 98.83 2k5f n GLY 83 Ca 0.16 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 1.25 -0.27 -0.30 1.61 -0.11 -1.26 -5.12 118.94 114.75 2k5f s TRP 84 Ca 0.00 0.65 -0.28 0.00 1.22 0.00 0.00 56.10 57.69 2k5f s TRP 84 Cb 0.00 0.09 -0.02 0.00 -1.50 0.00 0.00 33.47 32.04 2k5f s TRP 84 CO 0.00 -0.17 1.85 -1.25 -4.62 0.00 0.00 176.95 172.76 2k5f s PRO 85 N -0.04 3.36 0.04 5.86 0.04 -1.26 -4.45 135.00 138.56 2k5f s PRO 85 Ca -0.02 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2k5f s PRO 85 Cb -0.02 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2k5f s PRO 85 CO 0.01 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2k5f n GLY 86 N 5.40 -0.67 3.71 0.56 0.00 -1.26 -5.02 105.19 107.91 2k5f n GLY 86 Ca 0.23 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.47 -2.53 -0.51 1.61 3.72 -1.26 -4.88 117.46 111.13 2k5f n PHE 87 Ca 0.00 0.92 -0.04 0.00 -0.05 0.00 0.00 57.45 58.28 2k5f n PHE 87 Cb 0.00 -4.45 0.23 0.00 -0.94 0.00 0.00 39.48 34.33 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 -4.77 3.09 -2.88 -1.08 5.12 -1.26 -4.28 116.66 110.60 2k5f n ARG 88 Ca 0.02 -2.30 -0.17 0.00 -1.93 0.00 0.00 57.85 53.47 2k5f n ARG 88 Cb 0.55 -1.99 -0.01 0.00 -1.16 0.00 0.00 32.46 29.85 2k5f n ARG 88 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2k5f n ARG 89 N -0.03 1.66 -2.63 5.56 3.00 -1.26 -5.01 116.66 117.95 2k5f n ARG 89 Ca 0.31 -3.69 -0.42 0.00 -0.00 0.00 0.00 57.85 54.05 2k5f n ARG 89 Cb 1.13 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 31.88 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 3.31 -0.29 -0.14 0.52 -1.26 -4.92 118.95 113.21 2k5f s ARG 90 Ca 0.38 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2k5f s ARG 90 Cb 0.39 -4.55 0.11 0.00 0.52 0.00 0.00 34.95 31.42 2k5f s ARG 90 CO -0.06 -2.08 0.19 -1.58 0.02 0.00 0.00 175.30 171.79 2k5f s HIS 91 N 5.04 0.02 -1.42 -0.53 2.46 -1.26 -4.99 115.29 114.62 2k5f s HIS 91 Ca 0.36 -0.62 0.17 0.00 0.47 0.00 0.00 55.06 55.44 2k5f s HIS 91 Cb -0.07 -0.73 0.62 0.00 -0.13 0.00 0.00 32.58 32.27 2k5f s HIS 91 CO 0.06 -0.87 1.51 2.89 -2.47 0.00 0.00 174.74 175.86 2k5f n ARG 92 N 5.26 3.16 -3.98 2.88 1.85 -1.26 -4.90 116.66 119.67 2k5f n ARG 92 Ca -0.04 -2.46 -0.31 0.00 -1.00 0.00 0.00 57.85 54.04 2k5f n ARG 92 Cb 0.44 -1.74 -0.05 0.00 -1.05 0.00 0.00 32.46 30.06 2k5f n ARG 92 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2k5f s PHE 93 N -1.63 3.37 0.00 2.89 0.08 -1.26 -5.07 117.98 116.36 2k5f s PHE 93 Ca 0.44 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.66 2k5f s PHE 93 Cb 0.27 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 2k5f s PHE 93 CO 0.24 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.32 2k5f n GLY 94 N 0.32 1.54 0.96 4.36 0.00 -1.26 -5.17 105.19 105.94 2k5f n GLY 94 Ca -0.07 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.66 2k5f n GLY 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5f n LYS 95 N 0.00 -2.07 0.00 1.61 5.02 -1.26 -5.05 118.16 116.41 2k5f n LYS 95 Ca 0.00 1.53 0.00 0.00 -2.02 0.00 0.00 58.31 57.82 2k5f n LYS 95 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 2k5f n LYS 95 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k5f n ARG 96 N -3.65 0.00 0.11 1.97 1.74 -1.26 -5.10 116.66 110.48 2k5f n ARG 96 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2k5f n ARG 96 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2k5f n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k5f n ALA 97 N -2.05 0.00 -3.66 7.54 0.00 -1.26 -5.04 120.51 116.04 2k5f n ALA 97 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2k5f n ALA 97 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2k5f n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k5f n LEU 98 N -3.10 -3.28 -4.58 0.00 4.32 -1.26 -4.88 117.00 104.21 2k5f n LEU 98 Ca 0.00 -0.73 -0.42 0.00 -0.02 0.00 0.00 56.01 54.85 2k5f n LEU 98 Cb 0.00 -2.81 -0.03 0.00 -1.62 0.00 0.00 43.42 38.96 2k5f n LEU 98 CO 0.00 0.44 1.36 -1.61 -1.22 0.00 0.00 177.39 176.36 2k5f s GLU 99 N -5.98 3.26 -0.54 3.23 0.41 -1.26 -4.96 118.70 112.86 2k5f s GLU 99 Ca 0.20 0.76 -0.23 0.00 -0.41 0.00 0.00 54.97 55.28 2k5f s GLU 99 Cb -0.09 -4.16 0.04 0.00 -1.78 0.00 0.00 34.13 28.14 2k5f s GLU 99 CO 0.78 -1.97 0.88 -1.01 -0.49 0.00 0.00 175.26 173.45 2k5f s HIS 100 N 6.57 2.84 -0.03 1.61 3.76 -1.26 -5.02 115.29 123.76 2k5f s HIS 100 Ca 0.62 -0.12 -0.20 0.00 -0.15 0.00 0.00 55.06 55.21 2k5f s HIS 100 Cb -0.14 -3.97 -0.05 0.00 1.11 0.00 0.00 32.58 29.54 2k5f s HIS 100 CO 0.27 -1.29 0.57 -3.38 -0.85 0.00 0.00 174.74 170.06 2k5f s HIS 101 N 3.68 3.64 -0.50 1.40 -3.43 -1.26 -5.03 115.29 113.80 2k5f s HIS 101 Ca 0.27 1.13 0.04 0.00 -0.80 0.00 0.00 55.06 55.70 2k5f s HIS 101 Cb -0.14 -2.59 0.13 0.00 -1.43 0.00 0.00 32.58 28.55 2k5f s HIS 101 CO 0.18 0.32 0.24 -1.01 -2.00 0.00 0.00 174.74 172.46 2k5f s HIS 102 N -0.02 3.15 -0.12 0.38 3.76 -1.26 -4.97 115.29 116.21 2k5f s HIS 102 Ca 0.30 -3.11 -0.23 0.00 -0.15 0.00 0.00 55.06 51.87 2k5f s HIS 102 Cb -0.17 -2.76 -0.20 0.00 1.11 0.00 0.00 32.58 30.55 2k5f s HIS 102 CO 0.16 -0.76 0.69 1.12 -0.85 0.00 0.00 174.74 175.09 2k5f h HIS 103 N 6.61 -0.02 -3.00 1.40 2.07 -2.05 -3.50 115.15 116.67 2k5f h HIS 103 Ca -0.07 -0.00 0.34 0.00 -2.85 0.00 0.00 60.37 57.79 2k5f h HIS 103 Cb 0.90 0.01 -0.09 0.00 2.57 0.00 0.00 27.41 30.80 2k5f h HIS 103 CO 0.51 0.72 -0.46 0.72 -3.07 0.00 0.00 177.93 176.36 2k5f n HIS 104 N -4.69 -3.44 -0.98 6.12 8.25 -1.26 -5.37 115.22 113.84 2k5f n HIS 104 Ca -0.08 1.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.96 2k5f n HIS 104 Cb 0.36 -2.90 0.00 0.00 1.12 0.00 0.00 29.99 28.58 2k5f n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56