#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 3.86 0.41 2.12 3.01 -1.26 0.90 119.74 128.78 2k5f s LYS 2 Ca 0.00 1.12 0.13 0.00 -1.01 0.00 0.00 55.97 56.21 2k5f s LYS 2 Cb 0.00 -2.12 0.86 0.00 -1.01 0.00 0.00 37.83 35.57 2k5f s LYS 2 CO 0.00 -0.35 1.91 1.25 0.51 0.00 0.00 175.35 178.67 2k5f h LEU 3 N 1.17 0.02 -0.14 3.17 5.85 -0.70 -1.38 115.31 123.30 2k5f h LEU 3 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k5f h LEU 3 Cb 1.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k5f h LEU 3 CO 0.60 0.28 0.00 -0.24 -0.34 0.00 0.00 178.44 178.74 2k5f n SER 4 N -4.22 0.55 -0.60 1.25 2.88 -0.87 -2.75 113.62 109.85 2k5f n SER 4 Ca -0.02 0.57 0.13 0.00 -1.33 0.00 0.00 58.87 58.22 2k5f n SER 4 Cb 0.32 -0.71 0.36 0.00 -0.75 0.00 0.00 64.21 63.42 2k5f n SER 4 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k5f n GLU 5 N -2.04 1.76 -1.85 -1.46 1.02 -0.53 -4.93 120.64 112.61 2k5f n GLU 5 Ca 0.05 -1.21 -0.30 0.00 -0.02 0.00 0.00 57.16 55.68 2k5f n GLU 5 Cb 0.35 -1.48 0.21 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.07 2.53 0.11 -4.62 1.43 -1.11 -4.93 118.68 110.02 2k5f s LEU 6 Ca 0.33 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 2k5f s LEU 6 Cb 0.20 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2k5f s LEU 6 CO 0.35 -3.01 -0.10 -1.59 0.23 0.00 0.00 176.35 172.23 2k5f s LYS 7 N -5.90 0.92 -0.22 1.70 -2.85 -1.26 -5.07 119.74 107.06 2k5f s LYS 7 Ca 0.76 -1.29 -0.28 0.00 -1.00 0.00 0.00 55.97 54.16 2k5f s LYS 7 Cb -0.03 -0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 35.18 2k5f s LYS 7 CO 0.54 0.07 1.98 0.00 0.10 0.00 0.00 175.35 178.04 2k5f s ALA 8 N -2.91 2.93 0.00 0.59 0.00 -1.26 -1.07 121.76 120.04 2k5f s ALA 8 Ca 0.10 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k5f s ALA 8 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2k5f s ALA 8 CO -0.00 -2.50 0.00 0.41 0.00 0.00 0.00 175.76 173.67 2k5f n GLY 9 N 5.38 1.04 3.84 0.00 0.00 0.90 -4.99 105.19 111.36 2k5f n GLY 9 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2k5f n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 10 N -1.52 6.71 -0.08 1.61 -1.08 -0.23 -4.84 116.67 117.25 2k5f s ASP 10 Ca 0.00 1.51 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 2k5f s ASP 10 Cb 0.00 -2.48 0.02 0.00 -1.46 0.00 0.00 42.92 39.00 2k5f s ASP 10 CO 0.00 -0.46 -0.07 -0.60 0.52 0.00 0.00 175.17 174.56 2k5f s ARG 11 N -3.68 1.27 0.12 4.34 3.52 -1.26 -0.70 118.95 122.56 2k5f s ARG 11 Ca 0.58 -0.20 -0.05 0.00 -0.13 0.00 0.00 55.73 55.94 2k5f s ARG 11 Cb -0.10 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 2k5f s ARG 11 CO 0.25 -0.17 0.13 0.00 -0.81 0.00 0.00 175.30 174.70 2k5f s ALA 12 N 1.36 0.33 -0.15 6.12 0.00 0.06 -1.69 121.76 127.79 2k5f s ALA 12 Ca -0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2k5f s ALA 12 Cb -0.14 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2k5f s ALA 12 CO -0.03 -0.52 -0.08 -2.00 0.00 0.00 0.00 175.76 173.13 2k5f s GLU 13 N -3.96 3.49 0.03 0.00 2.12 0.39 -0.49 118.70 120.28 2k5f s GLU 13 Ca 0.15 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 2k5f s GLU 13 Cb 0.06 -2.80 -0.07 0.00 0.26 0.00 0.00 34.13 31.58 2k5f s GLU 13 CO -0.04 0.15 1.47 0.08 -0.54 0.00 0.00 175.26 176.38 2k5f s VAL 14 N 0.55 3.48 -0.04 3.70 1.01 -0.12 0.36 120.40 129.34 2k5f s VAL 14 Ca -0.06 0.91 0.18 0.00 0.00 0.00 0.00 61.98 63.01 2k5f s VAL 14 Cb -0.15 -3.59 -0.27 0.00 0.00 0.00 0.00 36.38 32.37 2k5f s VAL 14 CO 0.03 0.01 0.36 0.35 0.00 0.00 0.00 175.10 175.85 2k5f n THR 15 N 4.59 0.11 -3.64 3.92 -2.24 -0.57 -0.46 114.28 115.99 2k5f n THR 15 Ca 0.14 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 2k5f n THR 15 Cb 0.43 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 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 -4.15 -0.62 -0.33 3.42 0.15 -0.89 -4.74 113.70 106.53 2k5f s SER 16 Ca -0.07 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 57.65 2k5f s SER 16 Cb 0.11 1.18 0.05 0.00 -1.71 0.00 0.00 66.02 65.65 2k5f s SER 16 CO 0.74 -0.18 0.07 -0.69 1.20 0.00 0.00 173.24 174.37 2k5f s VAL 17 N 0.76 3.35 -0.15 4.45 1.01 -1.26 -0.09 120.40 128.46 2k5f s VAL 17 Ca -0.03 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 60.54 2k5f s VAL 17 Cb -0.05 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2k5f s VAL 17 CO -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 175.10 174.82 2k5f s ALA 18 N 1.30 3.24 0.02 5.51 0.00 -0.87 -4.93 121.76 126.03 2k5f s ALA 18 Ca -0.02 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 2k5f s ALA 18 Cb -0.20 -1.71 0.08 0.00 0.00 0.00 0.00 23.12 21.29 2k5f s ALA 18 CO 0.00 0.27 1.04 0.00 0.00 0.00 0.00 175.76 177.07 2k5f n ALA 19 N 3.28 -2.90 -1.73 0.00 0.00 -1.26 -3.59 120.51 114.31 2k5f n ALA 19 Ca -0.17 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.13 2k5f n ALA 19 Cb 0.53 0.22 0.02 0.00 0.00 0.00 0.00 19.45 20.21 2k5f n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5f n GLU 20 N -0.75 1.98 -0.26 0.00 -0.58 -1.26 -4.61 120.64 115.15 2k5f n GLU 20 Ca 0.02 0.71 0.04 0.00 -0.42 0.00 0.00 57.16 57.52 2k5f n GLU 20 Cb 0.50 -2.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.01 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2k5f h PRO 21 N 2.00 0.06 -0.05 3.49 0.13 -2.00 0.65 132.00 136.28 2k5f h PRO 21 Ca -0.49 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2k5f h PRO 21 Cb 1.29 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k5f h PRO 21 CO 0.59 0.04 -0.04 0.00 -0.23 0.00 0.00 178.00 178.37 2k5f h ALA 22 N 1.73 0.08 -0.58 -0.56 0.00 -1.99 -2.49 119.26 115.44 2k5f h ALA 22 Ca 0.40 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2k5f h ALA 22 Cb 0.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k5f h ALA 22 CO -0.71 -0.16 -0.05 0.28 0.00 0.00 0.00 179.25 178.62 2k5f h VAL 23 N -0.29 1.27 0.01 0.00 2.07 -1.68 -0.85 116.25 116.78 2k5f h VAL 23 Ca 0.01 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.35 2k5f h VAL 23 Cb 0.50 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2k5f h VAL 23 CO 0.01 0.43 -0.11 -0.09 0.02 0.00 0.00 177.57 177.83 2k5f h ARG 24 N 0.94 -0.19 0.00 1.57 2.43 0.25 -2.26 114.38 117.12 2k5f h ARG 24 Ca 0.16 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2k5f h ARG 24 Cb 0.61 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2k5f h ARG 24 CO 0.04 -0.13 -0.38 0.00 -1.51 0.00 0.00 179.97 177.99 2k5f h ARG 25 N -0.20 0.00 -0.81 0.20 3.08 -1.32 -1.46 114.38 113.87 2k5f h ARG 25 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2k5f h ARG 25 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 2k5f h ARG 25 CO -0.10 0.38 0.40 -0.09 -1.07 0.00 0.00 179.97 179.48 2k5f h ARG 26 N 0.00 1.16 -0.05 0.04 2.43 -0.67 0.20 114.38 117.49 2k5f h ARG 26 Ca -0.00 -0.17 -0.24 0.00 -0.81 0.00 0.00 59.98 58.76 2k5f h ARG 26 Cb 0.91 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2k5f h ARG 26 CO 0.05 0.89 -0.93 -0.07 -1.51 0.00 0.00 179.97 178.40 2k5f h LEU 27 N 1.15 0.83 -0.60 3.80 3.38 -1.08 -2.95 115.31 119.83 2k5f h LEU 27 Ca 0.28 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2k5f h LEU 27 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2k5f h LEU 27 CO -0.04 1.42 0.06 0.24 0.09 0.00 0.00 178.44 180.22 2k5f h MET 28 N 0.40 1.02 0.00 1.13 2.86 -0.94 -0.39 114.93 119.01 2k5f h MET 28 Ca -0.09 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.21 2k5f h MET 28 Cb 1.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.12 2k5f h MET 28 CO 0.18 0.97 -0.22 -0.44 1.06 0.00 0.00 176.91 178.46 2k5f h ASP 29 N 0.92 0.00 -0.26 1.22 5.19 -0.67 -2.43 116.42 120.39 2k5f h ASP 29 Ca 0.18 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.43 2k5f h ASP 29 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2k5f h ASP 29 CO 0.02 0.22 -0.46 -0.07 -3.12 0.00 0.00 179.24 175.83 2k5f h LEU 30 N 0.00 0.85 0.00 1.55 3.38 -1.21 -3.47 115.31 116.41 2k5f h LEU 30 Ca -0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2k5f h LEU 30 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2k5f h LEU 30 CO 0.03 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.39 2k5f n GLY 31 N 0.36 -0.70 3.46 0.83 0.00 -0.80 -5.08 105.19 103.27 2k5f n GLY 31 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 4.90 0.00 0.99 0.20 -0.22 -4.75 118.68 119.79 2k5f s LEU 32 Ca 0.00 -2.18 0.03 0.00 0.69 0.00 0.00 54.13 52.67 2k5f s LEU 32 Cb 0.00 -2.42 -0.01 0.00 -0.43 0.00 0.00 46.19 43.33 2k5f s LEU 32 CO 0.00 -1.04 0.12 1.33 -0.29 0.00 0.00 176.35 176.47 2k5f n VAL 33 N 5.47 0.00 -1.90 1.68 0.24 -1.26 -3.51 118.33 119.05 2k5f n VAL 33 Ca 0.28 -1.55 -0.42 0.00 -2.04 0.00 0.00 64.34 60.61 2k5f n VAL 33 Cb 0.48 0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.97 4.19 0.00 7.34 3.52 -1.26 -1.60 118.95 128.17 2k5f s ARG 34 Ca 0.17 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 2k5f s ARG 34 Cb 0.01 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 2k5f s ARG 34 CO 0.12 -0.76 0.00 0.41 -0.81 0.00 0.00 175.30 174.26 2k5f n GLY 35 N 4.05 0.38 3.62 8.12 0.00 0.39 -5.00 105.19 116.76 2k5f n GLY 35 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 3.19 -0.31 4.61 0.00 -0.63 -4.82 121.76 121.80 2k5f s ALA 36 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 2k5f s ALA 36 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 2k5f s ALA 36 CO 0.00 -2.09 0.48 0.15 0.00 0.00 0.00 175.76 174.30 2k5f s LYS 37 N 4.81 3.81 0.14 0.00 1.02 -1.26 -0.95 119.74 127.31 2k5f s LYS 37 Ca 0.70 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.73 2k5f s LYS 37 Cb -0.22 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 2k5f s LYS 37 CO 0.30 -0.49 -0.14 -0.48 -0.92 0.00 0.00 175.35 173.62 2k5f s LEU 38 N 2.29 2.46 -0.09 3.17 0.05 0.36 -0.63 118.68 126.27 2k5f s LEU 38 Ca 0.18 -0.89 0.03 0.00 0.05 0.00 0.00 54.13 53.50 2k5f s LEU 38 Cb -0.16 -0.55 0.01 0.00 -2.05 0.00 0.00 46.19 43.44 2k5f s LEU 38 CO 0.11 -0.18 -0.17 -0.75 -0.55 0.00 0.00 176.35 174.81 2k5f s LYS 39 N -3.04 2.36 -0.08 1.48 2.20 -0.04 -0.76 119.74 121.86 2k5f s LYS 39 Ca 0.13 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 2k5f s LYS 39 Cb -0.03 -1.90 -0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2k5f s LYS 39 CO 0.03 0.04 1.34 0.08 -0.36 0.00 0.00 175.35 176.49 2k5f s VAL 40 N 0.67 4.03 -0.04 4.02 1.01 0.12 -0.38 120.40 129.83 2k5f s VAL 40 Ca -0.13 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 2k5f s VAL 40 Cb -0.16 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k5f s VAL 40 CO 0.03 -0.06 -0.02 -0.07 0.00 0.00 0.00 175.10 174.99 2k5f h LEU 41 N 9.08 0.00 -7.67 3.92 3.38 -1.01 0.26 115.31 123.26 2k5f h LEU 41 Ca -0.33 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2k5f h LEU 41 Cb 1.15 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 2k5f h LEU 41 CO 0.93 0.23 -0.07 -0.13 0.09 0.00 0.00 178.44 179.49 2k5f s ARG 42 N -1.29 1.24 0.00 1.13 0.52 -1.22 -4.03 118.95 115.31 2k5f s ARG 42 Ca -0.01 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 2k5f s ARG 42 Cb 0.00 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.91 2k5f s ARG 42 CO 0.02 -0.50 0.02 -0.06 0.02 0.00 0.00 175.30 174.80 2k5f s PHE 43 N -3.87 3.12 0.94 -0.53 0.40 -1.26 -2.30 117.98 114.48 2k5f s PHE 43 Ca 0.09 0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.41 2k5f s PHE 43 Cb 0.01 -1.68 0.16 0.00 0.51 0.00 0.00 43.02 42.02 2k5f s PHE 43 CO -0.05 0.48 1.10 0.00 0.70 0.00 0.00 175.22 177.45 2k5f s ALA 44 N -1.13 1.21 -2.00 5.36 0.00 -0.84 -4.82 121.76 119.54 2k5f s ALA 44 Ca 0.21 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2k5f s ALA 44 Cb -0.12 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2k5f s ALA 44 CO 0.12 -2.72 0.30 -0.35 0.00 0.00 0.00 175.76 173.10 2k5f n PRO 45 N -4.17 0.08 -0.03 0.00 -0.04 -1.26 -0.44 135.00 129.14 2k5f n PRO 45 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2k5f n PRO 45 Cb 0.53 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.75 -0.22 1.53 4.77 -1.26 -4.97 117.00 116.91 2k5f n LEU 46 Ca 0.01 -0.83 -0.03 0.00 -0.03 0.00 0.00 56.01 55.13 2k5f n LEU 46 Cb 0.00 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2k5f n LEU 46 CO 0.01 0.21 -0.03 0.61 -1.33 0.00 0.00 177.39 176.85 2k5f n GLY 47 N -0.22 0.56 3.63 -0.72 0.00 0.42 -4.96 105.19 103.90 2k5f n GLY 47 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.35 -0.55 0.79 1.61 2.15 -1.26 -4.66 116.67 112.40 2k5f s ASP 48 Ca 0.00 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.85 2k5f s ASP 48 Cb 0.00 1.27 0.00 0.00 -0.30 0.00 0.00 42.92 43.89 2k5f s ASP 48 CO 0.00 -0.14 0.00 -0.81 -0.17 0.00 0.00 175.17 174.05 2k5f n PRO 49 N 3.87 0.22 -4.95 4.34 -0.04 -1.26 -4.65 135.00 132.53 2k5f n PRO 49 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.02 2k5f n PRO 49 Cb 0.57 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.76 1.55 -0.30 0.52 1.01 0.43 -1.99 121.20 121.65 2k5f s ILE 50 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2k5f s ILE 50 Cb 0.00 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2k5f s ILE 50 CO 0.00 0.44 0.18 -1.61 0.00 0.00 0.00 174.94 173.95 2k5f s GLU 51 N -0.35 3.70 -0.02 2.79 2.02 -0.97 -2.49 118.70 123.38 2k5f s GLU 51 Ca 0.05 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.60 2k5f s GLU 51 Cb -0.09 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 2k5f s GLU 51 CO 0.00 -0.29 -0.17 0.14 0.02 0.00 0.00 175.26 174.96 2k5f s VAL 52 N 1.71 1.35 -0.59 2.63 -7.23 -0.65 -0.34 120.40 117.28 2k5f s VAL 52 Ca 0.06 -0.71 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 2k5f s VAL 52 Cb -0.16 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 35.73 2k5f s VAL 52 CO 0.09 0.38 0.75 0.21 -0.31 0.00 0.00 175.10 176.23 2k5f s ASN 53 N -0.27 6.19 -0.33 4.85 3.84 0.49 -0.89 114.94 128.83 2k5f s ASN 53 Ca 0.04 -1.20 -0.09 0.00 0.21 0.00 0.00 52.86 51.82 2k5f s ASN 53 Cb -0.08 -2.33 0.01 0.00 -0.55 0.00 0.00 41.25 38.30 2k5f s ASN 53 CO 0.00 -1.14 0.15 0.00 -2.79 0.00 0.00 177.10 173.31 2k5f n ASN 55 N 4.94 -4.79 0.00 0.00 3.02 0.19 -0.51 115.26 118.12 2k5f n ASN 55 Ca -0.13 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2k5f n ASN 55 Cb 0.47 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 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 -1.10 0.64 3.37 7.41 0.00 -1.26 -5.05 105.19 109.19 2k5f n GLY 56 Ca -0.16 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.51 2.14 -0.42 1.61 0.00 0.33 -5.09 119.30 117.37 2k5f s MET 57 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 55.69 54.51 2k5f s MET 57 Cb 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 34.83 32.73 2k5f s MET 57 CO 0.00 0.56 0.98 -1.17 0.00 0.00 0.00 175.02 175.39 2k5f s LEU 58 N -0.83 3.92 0.03 4.11 1.98 -1.26 0.34 118.68 126.98 2k5f s LEU 58 Ca 0.11 0.43 0.06 0.00 -2.89 0.00 0.00 54.13 51.84 2k5f s LEU 58 Cb -0.10 -3.32 -0.03 0.00 0.66 0.00 0.00 46.19 43.40 2k5f s LEU 58 CO 0.00 -1.01 -0.13 -0.76 -1.89 0.00 0.00 176.35 172.57 2k5f s LEU 59 N 3.78 2.85 -0.07 -0.68 2.01 -0.07 -4.96 118.68 121.53 2k5f s LEU 59 Ca 0.40 -0.33 -0.01 0.00 0.01 0.00 0.00 54.13 54.20 2k5f s LEU 59 Cb -0.10 -1.65 0.03 0.00 0.01 0.00 0.00 46.19 44.47 2k5f s LEU 59 CO 0.24 0.26 -0.00 -0.89 1.01 0.00 0.00 176.35 176.96 2k5f s THR 60 N -0.98 0.42 0.14 5.49 2.01 -1.26 -1.63 115.64 119.83 2k5f s THR 60 Ca 0.16 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 2k5f s THR 60 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 2k5f s THR 60 CO 0.07 0.26 0.09 0.00 -0.69 0.00 0.00 174.62 174.36 2k5f s MET 61 N 1.91 0.99 0.49 4.92 0.23 -1.04 -5.00 119.30 121.81 2k5f s MET 61 Ca 0.04 -1.43 -0.01 0.00 -1.03 0.00 0.00 55.69 53.27 2k5f s MET 61 Cb -0.12 0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.45 2k5f s MET 61 CO -0.05 -0.30 0.73 1.03 -2.03 0.00 0.00 175.02 174.40 2k5f s ARG 62 N -4.05 2.93 0.31 3.16 1.81 -1.26 -0.43 118.95 121.42 2k5f s ARG 62 Ca 0.25 -0.46 0.01 0.00 -1.72 0.00 0.00 55.73 53.81 2k5f s ARG 62 Cb 0.07 -2.49 0.50 0.00 -0.45 0.00 0.00 34.95 32.57 2k5f s ARG 62 CO 0.03 -0.44 1.85 -0.09 -0.68 0.00 0.00 175.30 175.97 2k5f h ARG 63 N 0.23 0.69 0.00 3.54 2.43 -1.92 -1.67 114.38 117.69 2k5f h ARG 63 Ca -0.45 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 2k5f h ARG 63 Cb 1.26 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2k5f h ARG 63 CO 0.57 0.65 -0.04 -2.95 -1.51 0.00 0.00 179.97 176.69 2k5f h ASN 64 N 0.66 0.00 -0.01 -3.80 -1.07 -1.96 0.26 115.58 109.67 2k5f h ASN 64 Ca 0.15 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.46 2k5f h ASN 64 Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.56 2k5f h ASN 64 CO 0.00 0.04 -0.22 -0.33 0.07 0.00 0.00 177.43 177.00 2k5f h GLU 65 N 0.00 0.15 0.00 4.14 3.07 -1.72 -3.31 114.58 116.91 2k5f h GLU 65 Ca -0.00 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2k5f h GLU 65 Cb 0.08 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2k5f h GLU 65 CO 0.01 0.89 -0.01 0.00 -1.40 0.00 0.00 179.01 178.50 2k5f h ALA 66 N 0.27 1.96 -0.32 3.43 0.00 -0.15 -0.35 119.26 124.09 2k5f h ALA 66 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k5f h ALA 66 Cb 0.96 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k5f h ALA 66 CO 0.04 0.01 0.05 0.93 0.00 0.00 0.00 179.25 180.29 2k5f h GLU 67 N 0.00 0.53 -0.24 0.00 4.39 -0.71 -2.22 114.58 116.33 2k5f h GLU 67 Ca -0.00 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 2k5f h GLU 67 Cb 0.02 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2k5f h GLU 67 CO 0.00 0.62 -0.25 0.78 -1.16 0.00 0.00 179.01 179.00 2k5f h GLY 68 N 0.36 0.49 -4.79 -3.84 0.00 -1.28 -3.44 103.07 90.57 2k5f h GLY 68 Ca 0.10 -0.39 -0.55 0.00 0.00 0.00 0.00 47.33 46.49 2k5f h GLY 68 CO 0.01 0.36 0.73 -0.42 0.00 0.00 0.00 176.54 177.21 2k5f s ILE 69 N -4.50 4.12 -0.16 2.60 1.01 -0.28 -2.06 121.20 121.94 2k5f s ILE 69 Ca -0.07 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.04 2k5f s ILE 69 Cb 0.14 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2k5f s ILE 69 CO 0.78 0.00 -0.11 -0.89 0.00 0.00 0.00 174.94 174.73 2k5f s THR 70 N 2.21 3.11 0.24 2.92 2.01 0.87 -1.11 115.64 125.89 2k5f s THR 70 Ca 0.58 -0.62 0.12 0.00 0.31 0.00 0.00 61.69 62.08 2k5f s THR 70 Cb -0.26 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 2k5f s THR 70 CO 0.23 0.49 -0.21 0.68 -0.69 0.00 0.00 174.62 175.13 2k5f s VAL 71 N 0.75 2.47 -0.18 3.82 -7.23 0.26 -1.51 120.40 118.78 2k5f s VAL 71 Ca -0.05 -2.21 -0.04 0.00 -1.81 0.00 0.00 61.98 57.87 2k5f s VAL 71 Cb -0.15 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 2k5f s VAL 71 CO 0.02 -0.27 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.23 2k5f s HIS 72 N -2.11 3.01 0.06 2.82 2.46 0.16 -0.60 115.29 121.08 2k5f s HIS 72 Ca 0.26 -0.44 -0.31 0.00 0.47 0.00 0.00 55.06 55.04 2k5f s HIS 72 Cb -0.06 -2.01 -0.08 0.00 -0.13 0.00 0.00 32.58 30.29 2k5f s HIS 72 CO 0.13 -0.17 1.69 0.42 -2.47 0.00 0.00 174.74 174.34 2k5f s ILE 73 N 0.71 3.02 -1.06 0.89 -1.09 -1.26 -0.46 121.20 121.94 2k5f s ILE 73 Ca -0.02 0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 58.67 2k5f s ILE 73 Cb -0.14 -3.27 0.16 0.00 -1.58 0.00 0.00 42.46 37.63 2k5f s ILE 73 CO 0.02 -0.01 1.24 -0.76 -1.23 0.00 0.00 174.94 174.20 2k5f s LEU 74 N 2.88 5.24 0.00 2.97 1.43 -0.68 -4.88 118.68 125.64 2k5f s LEU 74 Ca 0.76 -2.61 -0.04 0.00 -1.03 0.00 0.00 54.13 51.21 2k5f s LEU 74 Cb -0.40 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.46 2k5f s LEU 74 CO 0.33 -0.84 0.49 0.00 0.23 0.00 0.00 176.35 176.56 2k5f n ALA 75 N 5.74 -0.56 0.00 4.21 0.00 -1.26 -4.78 120.51 123.87 2k5f n ALA 75 Ca 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2k5f n ALA 75 Cb 0.46 1.11 0.00 0.00 0.00 0.00 0.00 19.45 21.02 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 -0.51 1.03 3.82 0.00 0.00 -1.26 -5.01 105.19 103.27 2k5f n GLY 76 Ca -0.01 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.00 -0.15 -0.13 1.61 2.15 -1.26 -5.09 116.67 109.81 2k5f s ASP 77 Ca 0.00 -0.68 -0.04 0.00 0.43 0.00 0.00 52.55 52.26 2k5f s ASP 77 Cb 0.00 0.66 0.01 0.00 -0.30 0.00 0.00 42.92 43.29 2k5f s ASP 77 CO 0.00 -1.26 0.07 1.21 -0.17 0.00 0.00 175.17 175.03 2k5f n GLU 78 N -0.51 -2.21 0.00 4.34 2.13 -1.26 -5.10 120.64 118.03 2k5f n GLU 78 Ca -0.05 1.94 0.00 0.00 0.66 0.00 0.00 57.16 59.70 2k5f n GLU 78 Cb 0.60 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 29.03 2k5f n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k5f n GLY 79 N 0.67 2.97 3.07 8.31 0.00 -1.26 -5.10 105.19 113.85 2k5f n GLY 79 Ca -0.12 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 2k5f n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5f s HIS 80 N -2.39 3.47 -0.35 1.61 2.46 -1.26 -5.06 115.29 113.77 2k5f s HIS 80 Ca 0.00 -2.86 -0.29 0.00 0.47 0.00 0.00 55.06 52.39 2k5f s HIS 80 Cb 0.00 -3.14 -0.01 0.00 -0.13 0.00 0.00 32.58 29.30 2k5f s HIS 80 CO 0.00 -0.79 1.67 -2.14 -2.47 0.00 0.00 174.74 171.00 2k5f s PRO 81 N -0.41 3.44 -0.12 2.88 0.02 -1.26 -4.80 135.00 134.76 2k5f s PRO 81 Ca 0.19 1.30 -0.02 0.00 0.02 0.00 0.00 61.00 62.48 2k5f s PRO 81 Cb -0.18 -4.13 -0.06 0.00 0.02 0.00 0.00 34.50 30.15 2k5f s PRO 81 CO -0.05 -1.72 -0.13 0.72 -0.33 0.00 0.00 177.00 175.49 2k5f n HIS 82 N 9.69 0.00 0.00 6.54 8.25 -1.26 -5.15 115.22 133.29 2k5f n HIS 82 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2k5f n HIS 82 Cb 0.47 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2k5f n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5f n GLY 83 N 2.61 1.73 3.09 -1.41 0.00 -1.26 -5.10 105.19 104.86 2k5f n GLY 83 Ca -0.22 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.58 1.10 0.04 1.61 -0.11 -1.26 -5.07 118.94 113.68 2k5f s TRP 84 Ca 0.00 -0.26 -0.27 0.00 1.22 0.00 0.00 56.10 56.79 2k5f s TRP 84 Cb 0.00 -0.69 -0.17 0.00 -1.50 0.00 0.00 33.47 31.11 2k5f s TRP 84 CO 0.00 -0.00 1.42 -1.00 -4.62 0.00 0.00 176.95 172.75 2k5f h PRO 85 N 5.50 -0.42 0.00 5.86 0.13 -2.09 -3.49 132.00 137.49 2k5f h PRO 85 Ca -0.35 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k5f h PRO 85 Cb 1.17 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k5f h PRO 85 CO 0.47 -0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.50 2k5f n GLY 86 N -0.71 -0.48 2.86 1.56 0.00 -1.26 -4.87 105.19 102.30 2k5f n GLY 86 Ca -0.10 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 2k5f n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5f s PHE 87 N 0.00 2.33 -1.61 1.61 0.08 -1.26 -4.94 117.98 114.18 2k5f s PHE 87 Ca 0.00 -1.96 0.30 0.00 0.12 0.00 0.00 56.93 55.39 2k5f s PHE 87 Cb 0.00 -1.89 1.43 0.00 -0.57 0.00 0.00 43.02 41.99 2k5f s PHE 87 CO 0.00 -0.84 1.99 2.89 -0.10 0.00 0.00 175.22 179.15 2k5f n ARG 88 N 4.68 0.63 -4.81 0.44 1.85 -1.26 -4.76 116.66 113.43 2k5f n ARG 88 Ca -0.04 -0.12 -0.26 0.00 -1.00 0.00 0.00 57.85 56.43 2k5f n ARG 88 Cb 0.43 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 30.18 2k5f n ARG 88 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k5f s ARG 89 N -2.45 1.86 0.00 2.89 1.81 -1.26 -5.13 118.95 116.67 2k5f s ARG 89 Ca 0.31 -0.58 -0.04 0.00 -1.72 0.00 0.00 55.73 53.69 2k5f s ARG 89 Cb 0.20 -1.57 -0.00 0.00 -0.45 0.00 0.00 34.95 33.13 2k5f s ARG 89 CO 0.45 0.19 0.08 -0.98 -0.68 0.00 0.00 175.30 174.36 2k5f s ARG 90 N 0.20 0.38 2.00 3.54 1.70 -1.26 -5.12 118.95 120.39 2k5f s ARG 90 Ca -0.07 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 2k5f s ARG 90 Cb -0.13 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2k5f s ARG 90 CO 0.03 -0.08 0.00 0.72 -1.08 0.00 0.00 175.30 174.89 2k5f n HIS 91 N 1.73 -1.88 -1.88 5.89 8.25 -1.26 -4.87 115.22 121.20 2k5f n HIS 91 Ca -0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.22 2k5f n HIS 91 Cb 0.56 0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.93 2k5f n HIS 91 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2k5f n ARG 92 N -1.76 0.11 -0.78 -0.41 1.85 -1.26 -5.15 116.66 109.26 2k5f n ARG 92 Ca 0.00 -0.47 0.10 0.00 -1.00 0.00 0.00 57.85 56.48 2k5f n ARG 92 Cb 0.00 0.44 -0.03 0.00 -1.05 0.00 0.00 32.46 31.83 2k5f n ARG 92 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2k5f n PHE 93 N -0.13 -1.97 -0.10 2.89 3.72 -1.26 -5.10 117.46 115.51 2k5f n PHE 93 Ca -0.12 0.99 0.00 0.00 -0.05 0.00 0.00 57.45 58.27 2k5f n PHE 93 Cb 0.49 -1.79 0.00 0.00 -0.94 0.00 0.00 39.48 37.25 2k5f n PHE 93 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k5f n GLY 94 N -2.91 0.60 2.87 1.37 0.00 -1.26 -5.08 105.19 100.79 2k5f n GLY 94 Ca -0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 2k5f n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5f s LYS 95 N -2.00 0.12 -0.52 1.61 0.00 -1.26 -5.10 119.74 112.60 2k5f s LYS 95 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 55.97 56.39 2k5f s LYS 95 Cb 0.00 -0.48 0.13 0.00 0.00 0.00 0.00 37.83 37.49 2k5f s LYS 95 CO 0.00 -0.41 0.40 0.50 0.00 0.00 0.00 175.35 175.85 2k5f s ARG 96 N 2.35 2.62 -0.24 1.78 6.06 -1.26 -5.03 118.95 125.23 2k5f s ARG 96 Ca 0.04 -1.86 0.01 0.00 -2.50 0.00 0.00 55.73 51.41 2k5f s ARG 96 Cb -0.13 -4.00 0.06 0.00 0.06 0.00 0.00 34.95 30.94 2k5f s ARG 96 CO -0.09 -1.22 -0.04 0.00 -2.50 0.00 0.00 175.30 171.45 2k5f s ALA 97 N 1.21 1.94 -1.04 6.12 0.00 -1.26 -5.05 121.76 123.68 2k5f s ALA 97 Ca 0.07 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 2k5f s ALA 97 Cb -0.25 -1.45 0.11 0.00 0.00 0.00 0.00 23.12 21.53 2k5f s ALA 97 CO -0.01 -1.23 1.33 -1.17 0.00 0.00 0.00 175.76 174.68 2k5f s LEU 98 N 1.40 4.55 0.54 0.00 1.98 -1.26 -5.00 118.68 120.89 2k5f s LEU 98 Ca -0.04 -2.12 -0.18 0.00 -2.89 0.00 0.00 54.13 48.89 2k5f s LEU 98 Cb -0.19 -2.46 -0.06 0.00 0.66 0.00 0.00 46.19 44.15 2k5f s LEU 98 CO -0.07 -1.12 1.07 -1.61 -1.89 0.00 0.00 176.35 172.73 2k5f s GLU 99 N 3.19 3.48 0.69 1.98 0.41 -1.26 -5.03 118.70 122.15 2k5f s GLU 99 Ca 0.40 1.38 -0.11 0.00 -0.41 0.00 0.00 54.97 56.23 2k5f s GLU 99 Cb -0.02 -2.04 0.01 0.00 -1.78 0.00 0.00 34.13 30.29 2k5f s GLU 99 CO -0.06 -0.71 1.07 -1.01 -0.49 0.00 0.00 175.26 174.07 2k5f s HIS 100 N -2.09 3.35 -0.03 1.61 3.76 -1.26 -5.09 115.29 115.54 2k5f s HIS 100 Ca 0.67 1.04 0.01 0.00 -0.15 0.00 0.00 55.06 56.64 2k5f s HIS 100 Cb -0.18 -3.00 0.02 0.00 1.11 0.00 0.00 32.58 30.52 2k5f s HIS 100 CO 0.28 -1.10 -0.03 -3.38 -0.85 0.00 0.00 174.74 169.66 2k5f s HIS 101 N -3.31 0.55 0.32 1.40 -3.43 -1.26 -5.11 115.29 104.45 2k5f s HIS 101 Ca 0.57 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 2k5f s HIS 101 Cb -0.11 -0.51 0.00 0.00 -1.43 0.00 0.00 32.58 30.53 2k5f s HIS 101 CO 0.51 -0.13 0.00 1.58 -2.00 0.00 0.00 174.74 174.70 2k5f n HIS 102 N 3.84 -2.78 -4.46 0.38 -0.00 -1.26 -4.90 115.22 106.04 2k5f n HIS 102 Ca -0.24 1.43 -0.32 0.00 0.46 0.00 0.00 57.72 59.05 2k5f n HIS 102 Cb 0.52 -2.52 -0.10 0.00 -0.12 0.00 0.00 29.99 27.76 2k5f n HIS 102 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5f s HIS 103 N -2.52 2.88 0.00 1.57 -3.43 -1.26 -5.04 115.29 107.49 2k5f s HIS 103 Ca 0.00 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 2k5f s HIS 103 Cb 0.00 -1.60 0.00 0.00 -1.43 0.00 0.00 32.58 29.55 2k5f s HIS 103 CO 0.00 0.37 0.00 0.72 -2.00 0.00 0.00 174.74 173.83 2k5f n HIS 104 N 1.55 -1.37 -0.72 0.38 8.25 -1.26 -5.33 115.22 116.72 2k5f n HIS 104 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2k5f n HIS 104 Cb 0.52 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2k5f n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56