#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 0.43 119.74 128.31 2k5f s LYS 2 Ca 0.00 0.88 0.13 0.00 -1.01 0.00 0.00 55.97 55.97 2k5f s LYS 2 Cb 0.00 -2.14 0.85 0.00 -1.01 0.00 0.00 37.83 35.53 2k5f s LYS 2 CO 0.00 -0.33 1.91 1.25 0.51 0.00 0.00 175.35 178.69 2k5f h LEU 3 N 0.64 0.03 -0.14 3.17 5.85 -0.19 -2.21 115.31 122.46 2k5f h LEU 3 Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k5f h LEU 3 Cb 1.19 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k5f h LEU 3 CO 0.62 0.29 0.00 -1.54 -0.34 0.00 0.00 178.44 177.47 2k5f n SER 4 N -4.22 0.75 -0.11 1.25 3.41 -1.22 -2.85 113.62 110.62 2k5f n SER 4 Ca -0.02 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 2k5f n SER 4 Cb 0.32 -0.78 0.59 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.22 0.63 -1.66 4.33 1.02 -0.83 -4.86 120.64 117.05 2k5f n GLU 5 Ca 0.05 -0.22 -0.29 0.00 -0.02 0.00 0.00 57.16 56.68 2k5f n GLU 5 Cb 0.39 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.52 2.34 0.35 -4.62 1.43 -1.13 -4.97 118.68 109.56 2k5f s LEU 6 Ca 0.27 1.00 0.08 0.00 -1.03 0.00 0.00 54.13 54.45 2k5f s LEU 6 Cb 0.20 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 2k5f s LEU 6 CO 0.49 -2.16 0.26 -0.54 0.23 0.00 0.00 176.35 174.63 2k5f s LYS 7 N -5.34 2.57 -0.84 1.70 -0.14 -1.26 -5.00 119.74 111.44 2k5f s LYS 7 Ca 0.62 -1.43 -0.25 0.00 -1.36 0.00 0.00 55.97 53.55 2k5f s LYS 7 Cb -0.13 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 2k5f s LYS 7 CO 0.52 0.04 1.87 0.00 -0.76 0.00 0.00 175.35 177.02 2k5f s ALA 8 N -2.38 1.90 0.00 5.17 0.00 -1.26 -1.16 121.76 124.03 2k5f s ALA 8 Ca 0.41 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2k5f s ALA 8 Cb -0.04 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2k5f s ALA 8 CO 0.26 -4.46 0.00 0.41 0.00 0.00 0.00 175.76 171.96 2k5f n GLY 9 N 6.55 0.82 3.74 0.00 0.00 0.19 -4.90 105.19 111.59 2k5f n GLY 9 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.60 6.97 -0.19 1.61 1.01 -0.31 -4.75 116.67 120.42 2k5f s ASP 10 Ca 0.00 2.34 -0.06 0.00 0.71 0.00 0.00 52.55 55.54 2k5f s ASP 10 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2k5f s ASP 10 CO 0.00 -0.46 0.02 -0.60 0.21 0.00 0.00 175.17 174.34 2k5f s ARG 11 N -0.23 3.77 0.27 8.23 3.52 -1.26 -0.66 118.95 132.59 2k5f s ARG 11 Ca 0.55 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2k5f s ARG 11 Cb -0.35 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2k5f s ARG 11 CO 0.38 0.14 0.32 0.00 -0.81 0.00 0.00 175.30 175.33 2k5f s ALA 12 N 0.70 0.91 -0.04 6.12 0.00 0.34 -0.41 121.76 129.38 2k5f s ALA 12 Ca 0.01 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.46 2k5f s ALA 12 Cb -0.14 1.28 -0.01 0.00 0.00 0.00 0.00 23.12 24.26 2k5f s ALA 12 CO 0.02 -0.71 -0.18 -2.00 0.00 0.00 0.00 175.76 172.89 2k5f s GLU 13 N -3.70 1.80 -0.39 0.00 2.12 0.61 -0.13 118.70 119.02 2k5f s GLU 13 Ca 0.34 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 2k5f s GLU 13 Cb 0.03 -1.58 -0.00 0.00 0.26 0.00 0.00 34.13 32.83 2k5f s GLU 13 CO 0.17 0.27 1.56 0.08 -0.54 0.00 0.00 175.26 176.80 2k5f s VAL 14 N -0.04 3.73 0.01 3.70 1.01 -0.38 -0.79 120.40 127.63 2k5f s VAL 14 Ca -0.02 0.74 0.10 0.00 0.00 0.00 0.00 61.98 62.79 2k5f s VAL 14 Cb -0.11 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 2k5f s VAL 14 CO 0.02 -0.64 0.85 0.71 0.00 0.00 0.00 175.10 176.04 2k5f h THR 15 N 6.60 1.11 -1.94 3.92 1.35 -1.31 0.31 112.91 122.95 2k5f h THR 15 Ca -0.30 -2.91 -0.04 0.00 -0.55 0.00 0.00 66.41 62.61 2k5f h THR 15 Cb 1.13 2.56 -0.20 0.00 -1.73 0.00 0.00 68.15 69.91 2k5f h THR 15 CO 1.07 0.65 0.24 -0.44 -0.25 0.00 0.00 175.52 176.79 2k5f s SER 16 N -6.33 -0.62 -0.26 5.36 0.01 -0.75 -4.82 113.70 106.30 2k5f s SER 16 Ca -0.03 0.71 0.03 0.00 1.31 0.00 0.00 55.95 57.96 2k5f s SER 16 Cb 0.08 0.55 0.06 0.00 0.21 0.00 0.00 66.02 66.92 2k5f s SER 16 CO 0.82 -0.55 -0.11 0.68 0.41 0.00 0.00 173.24 174.49 2k5f s VAL 17 N -1.10 2.15 -0.63 3.43 -7.23 -1.26 0.19 120.40 115.94 2k5f s VAL 17 Ca -0.09 -1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 58.36 2k5f s VAL 17 Cb -0.00 -2.27 0.16 0.00 0.56 0.00 0.00 36.38 34.83 2k5f s VAL 17 CO 0.08 -0.03 0.51 0.00 -0.31 0.00 0.00 175.10 175.35 2k5f s ALA 18 N 1.11 3.67 0.34 1.32 0.00 0.31 -4.93 121.76 123.58 2k5f s ALA 18 Ca -0.09 -2.99 -0.10 0.00 0.00 0.00 0.00 51.96 48.78 2k5f s ALA 18 Cb -0.20 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2k5f s ALA 18 CO -0.05 -2.08 0.62 0.00 0.00 0.00 0.00 175.76 174.24 2k5f s ALA 19 N 0.59 -0.11 0.43 0.00 0.00 -1.26 -4.13 121.76 117.27 2k5f s ALA 19 Ca 0.13 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2k5f s ALA 19 Cb -0.20 0.93 -0.10 0.00 0.00 0.00 0.00 23.12 23.75 2k5f s ALA 19 CO -0.04 -0.90 1.06 0.39 0.00 0.00 0.00 175.76 176.27 2k5f n GLU 20 N -0.52 1.44 -0.22 0.00 -0.58 -1.26 -4.62 120.64 114.88 2k5f n GLU 20 Ca -0.03 0.52 0.16 0.00 -0.42 0.00 0.00 57.16 57.38 2k5f n GLU 20 Cb 0.61 -2.11 0.48 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.60 0.46 -0.01 3.49 0.13 -1.99 0.29 132.00 135.97 2k5f h PRO 21 Ca -0.45 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k5f h PRO 21 Cb 1.33 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k5f h PRO 21 CO 0.57 0.31 -0.00 0.00 -0.23 0.00 0.00 178.00 178.64 2k5f h ALA 22 N 1.62 0.01 -0.44 -0.56 0.00 -1.99 -2.17 119.26 115.73 2k5f h ALA 22 Ca 0.42 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2k5f h ALA 22 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2k5f h ALA 22 CO -0.16 -0.26 0.09 0.28 0.00 0.00 0.00 179.25 179.20 2k5f h VAL 23 N -0.43 1.24 -0.87 0.00 2.07 -1.56 0.64 116.25 117.34 2k5f h VAL 23 Ca 0.00 -0.84 0.12 0.00 0.82 0.00 0.00 66.70 66.80 2k5f h VAL 23 Cb 0.46 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 2k5f h VAL 23 CO 0.00 0.29 0.50 -0.09 0.02 0.00 0.00 177.57 178.30 2k5f h ARG 24 N 0.58 0.76 -0.10 1.57 1.12 -0.54 -0.74 114.38 117.03 2k5f h ARG 24 Ca 0.14 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.88 2k5f h ARG 24 Cb 0.34 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2k5f h ARG 24 CO 0.00 0.50 -0.27 -0.09 -3.11 0.00 0.00 179.97 177.01 2k5f h ARG 25 N 0.78 0.35 -0.31 0.20 2.43 -0.71 -2.62 114.38 114.52 2k5f h ARG 25 Ca 0.44 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2k5f h ARG 25 Cb 0.49 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2k5f h ARG 25 CO -0.29 0.86 0.21 0.00 -1.51 0.00 0.00 179.97 179.24 2k5f h ARG 26 N -0.10 0.29 -0.18 0.20 3.08 -0.33 0.67 114.38 118.01 2k5f h ARG 26 Ca -0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2k5f h ARG 26 Cb 0.88 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2k5f h ARG 26 CO 0.06 0.19 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.98 2k5f h LEU 27 N 0.30 0.40 -0.69 3.04 3.38 -1.13 -2.69 115.31 117.92 2k5f h LEU 27 Ca 0.13 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2k5f h LEU 27 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2k5f h LEU 27 CO -0.03 0.74 0.02 0.24 0.09 0.00 0.00 178.44 179.51 2k5f h MET 28 N 0.07 1.04 0.00 1.13 2.86 -0.62 0.24 114.93 119.65 2k5f h MET 28 Ca 0.04 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2k5f h MET 28 Cb 0.60 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k5f h MET 28 CO 0.03 1.00 -0.12 -0.44 1.06 0.00 0.00 176.91 178.44 2k5f h ASP 29 N 0.96 0.00 0.02 1.22 3.32 0.23 -1.97 116.42 120.20 2k5f h ASP 29 Ca 0.18 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 2k5f h ASP 29 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.08 2k5f h ASP 29 CO 0.03 0.12 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.06 2k5f h LEU 30 N 0.00 0.44 0.00 1.55 3.38 -1.08 -3.48 115.31 116.12 2k5f h LEU 30 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2k5f h LEU 30 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2k5f h LEU 30 CO 0.02 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.34 2k5f n GLY 31 N 1.17 -0.41 3.44 0.83 0.00 -0.62 -5.06 105.19 104.54 2k5f n GLY 31 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 5.22 0.45 0.99 0.20 0.73 -4.79 118.68 121.49 2k5f s LEU 32 Ca 0.00 -2.71 0.07 0.00 0.69 0.00 0.00 54.13 52.18 2k5f s LEU 32 Cb 0.00 -2.38 -0.00 0.00 -0.43 0.00 0.00 46.19 43.38 2k5f s LEU 32 CO 0.00 -0.81 0.40 0.68 -0.29 0.00 0.00 176.35 176.33 2k5f s VAL 33 N 1.68 2.40 -0.08 1.68 -7.23 -1.26 -2.45 120.40 115.14 2k5f s VAL 33 Ca 0.37 -1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 2k5f s VAL 33 Cb -0.04 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2k5f s VAL 33 CO -0.04 0.00 1.45 -0.60 -0.31 0.00 0.00 175.10 175.60 2k5f s ARG 34 N -4.19 4.23 0.00 4.82 3.52 -1.26 -1.99 118.95 124.08 2k5f s ARG 34 Ca 0.46 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 2k5f s ARG 34 Cb -0.03 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 2k5f s ARG 34 CO 0.27 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 2k5f n GLY 35 N 3.81 0.55 3.72 8.12 0.00 0.10 -5.04 105.19 116.45 2k5f n GLY 35 Ca 0.15 0.00 -0.42 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 3.36 -0.13 4.61 0.00 -0.84 -4.78 121.76 121.98 2k5f s ALA 36 Ca 0.00 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2k5f s ALA 36 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2k5f s ALA 36 CO 0.00 -0.34 0.44 0.15 0.00 0.00 0.00 175.76 176.02 2k5f s LYS 37 N 0.56 4.32 0.16 0.00 1.02 -1.26 -1.25 119.74 123.28 2k5f s LYS 37 Ca 0.55 0.38 0.01 0.00 0.02 0.00 0.00 55.97 56.92 2k5f s LYS 37 Cb -0.28 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 2k5f s LYS 37 CO 0.31 0.17 0.03 -0.48 -0.92 0.00 0.00 175.35 174.45 2k5f s LEU 38 N 0.61 1.97 -0.04 3.17 2.34 0.82 -0.74 118.68 126.81 2k5f s LEU 38 Ca 0.24 -1.19 0.02 0.00 0.06 0.00 0.00 54.13 53.26 2k5f s LEU 38 Cb -0.15 0.10 0.01 0.00 -0.56 0.00 0.00 46.19 45.59 2k5f s LEU 38 CO 0.09 -0.64 -0.09 -0.75 -1.06 0.00 0.00 176.35 173.90 2k5f s LYS 39 N -3.97 1.09 0.13 1.48 2.20 0.24 -0.50 119.74 120.40 2k5f s LYS 39 Ca 0.24 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 2k5f s LYS 39 Cb 0.07 -0.99 -0.07 0.00 -1.51 0.00 0.00 37.83 35.33 2k5f s LYS 39 CO 0.03 0.06 1.20 0.08 -0.36 0.00 0.00 175.35 176.36 2k5f s VAL 40 N 0.44 3.76 -0.19 4.02 1.01 0.17 -0.15 120.40 129.45 2k5f s VAL 40 Ca -0.07 1.37 -0.15 0.00 0.00 0.00 0.00 61.98 63.13 2k5f s VAL 40 Cb -0.11 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2k5f s VAL 40 CO 0.01 0.17 -0.19 0.18 0.00 0.00 0.00 175.10 175.27 2k5f n LEU 41 N 3.14 1.89 -3.51 3.92 4.77 0.10 -0.64 117.00 126.68 2k5f n LEU 41 Ca 0.06 0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 2k5f n LEU 41 Cb 0.45 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2k5f n LEU 41 CO 0.56 -0.06 0.34 -0.60 -1.33 0.00 0.00 177.39 176.30 2k5f s ARG 42 N -2.52 1.14 -0.05 3.23 6.06 -0.84 -4.27 118.95 121.70 2k5f s ARG 42 Ca -0.27 -0.30 0.05 0.00 -2.50 0.00 0.00 55.73 52.71 2k5f s ARG 42 Cb 0.06 0.52 -0.02 0.00 0.06 0.00 0.00 34.95 35.57 2k5f s ARG 42 CO 0.41 -0.44 -0.19 -0.06 -2.50 0.00 0.00 175.30 172.51 2k5f s PHE 43 N -2.92 2.56 0.92 5.12 0.08 -1.26 -0.85 117.98 121.63 2k5f s PHE 43 Ca -0.03 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 2k5f s PHE 43 Cb -0.00 -1.60 0.14 0.00 -0.57 0.00 0.00 43.02 40.99 2k5f s PHE 43 CO -0.05 0.03 1.09 0.00 -0.10 0.00 0.00 175.22 176.19 2k5f s ALA 44 N -0.54 1.40 -2.00 5.36 0.00 -0.78 -4.84 121.76 120.35 2k5f s ALA 44 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2k5f s ALA 44 Cb -0.11 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.83 2k5f s ALA 44 CO 0.01 -2.48 0.25 -0.35 0.00 0.00 0.00 175.76 173.18 2k5f n PRO 45 N -3.98 0.05 -0.06 0.00 -0.04 -1.26 -0.54 135.00 129.17 2k5f n PRO 45 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2k5f n PRO 45 Cb 0.55 -1.18 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.68 0.80 -0.99 1.53 4.77 -1.26 -4.96 117.00 116.21 2k5f n LEU 46 Ca 0.00 -0.96 -0.13 0.00 -0.03 0.00 0.00 56.01 54.90 2k5f n LEU 46 Cb 0.00 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2k5f n LEU 46 CO 0.00 0.23 -0.12 0.61 -1.33 0.00 0.00 177.39 176.79 2k5f n GLY 47 N -0.26 1.37 3.61 -0.72 0.00 0.29 -4.94 105.19 104.55 2k5f n GLY 47 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.83 -0.35 1.07 1.61 2.15 -1.26 -4.57 116.67 112.50 2k5f s ASP 48 Ca 0.00 0.55 -0.18 0.00 0.43 0.00 0.00 52.55 53.35 2k5f s ASP 48 Cb 0.00 1.18 0.25 0.00 -0.30 0.00 0.00 42.92 44.05 2k5f s ASP 48 CO 0.00 -0.09 1.27 -0.81 -0.17 0.00 0.00 175.17 175.37 2k5f n PRO 49 N 3.63 -1.84 -5.19 4.34 -0.04 -1.26 -4.62 135.00 130.02 2k5f n PRO 49 Ca -0.17 -1.98 -0.31 0.00 -0.04 0.00 0.00 63.50 61.01 2k5f n PRO 49 Cb 0.57 -1.45 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.65 1.94 -0.29 0.52 1.01 0.90 -1.87 121.20 119.76 2k5f s ILE 50 Ca 0.74 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 2k5f s ILE 50 Cb -0.03 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2k5f s ILE 50 CO 0.54 0.54 0.16 -1.61 0.00 0.00 0.00 174.94 174.57 2k5f s GLU 51 N -0.12 3.71 0.06 2.79 2.02 -0.03 -1.73 118.70 125.40 2k5f s GLU 51 Ca -0.04 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.52 2k5f s GLU 51 Cb -0.13 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 2k5f s GLU 51 CO 0.04 -0.26 -0.12 0.14 0.02 0.00 0.00 175.26 175.07 2k5f s VAL 52 N 1.70 0.96 -0.50 2.63 -7.23 -1.05 0.03 120.40 116.94 2k5f s VAL 52 Ca 0.06 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 2k5f s VAL 52 Cb -0.16 -0.94 0.12 0.00 0.56 0.00 0.00 36.38 35.96 2k5f s VAL 52 CO 0.08 -0.23 0.42 0.21 -0.31 0.00 0.00 175.10 175.27 2k5f s ASN 53 N -1.60 5.97 -0.44 4.85 3.84 0.78 -1.46 114.94 126.89 2k5f s ASN 53 Ca -0.03 -1.77 -0.14 0.00 0.21 0.00 0.00 52.86 51.13 2k5f s ASN 53 Cb -0.10 -2.12 0.05 0.00 -0.55 0.00 0.00 41.25 38.54 2k5f s ASN 53 CO 0.02 -0.76 0.33 0.00 -2.79 0.00 0.00 177.10 173.90 2k5f n ASN 55 N 5.13 -5.25 0.00 0.00 5.15 0.08 -2.08 115.26 118.29 2k5f n ASN 55 Ca -0.12 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2k5f n ASN 55 Cb 0.45 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.43 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k5f n GLY 56 N -1.11 1.03 2.80 8.20 0.00 -1.26 -5.01 105.19 109.84 2k5f n GLY 56 Ca -0.18 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.68 0.23 -0.42 1.61 0.00 -0.88 -5.11 119.30 114.05 2k5f s MET 57 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 55.69 55.62 2k5f s MET 57 Cb 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 34.83 34.40 2k5f s MET 57 CO 0.00 -0.15 0.48 -0.51 0.00 0.00 0.00 175.02 174.84 2k5f s LEU 58 N 1.08 4.77 -0.03 4.11 1.02 -1.26 0.76 118.68 129.13 2k5f s LEU 58 Ca -0.09 -0.58 0.02 0.00 0.02 0.00 0.00 54.13 53.50 2k5f s LEU 58 Cb -0.13 -2.46 0.01 0.00 0.02 0.00 0.00 46.19 43.63 2k5f s LEU 58 CO -0.02 -0.61 -0.05 -1.48 0.02 0.00 0.00 176.35 174.21 2k5f s LEU 59 N 2.27 1.63 -0.26 1.79 2.34 -0.54 -5.01 118.68 120.90 2k5f s LEU 59 Ca 0.14 -0.12 -0.10 0.00 0.06 0.00 0.00 54.13 54.12 2k5f s LEU 59 Cb -0.16 -0.39 -0.04 0.00 -0.56 0.00 0.00 46.19 45.03 2k5f s LEU 59 CO 0.15 0.01 0.14 -0.89 -1.06 0.00 0.00 176.35 174.69 2k5f s THR 60 N 0.43 4.96 0.37 5.48 2.01 -1.26 -2.51 115.64 125.12 2k5f s THR 60 Ca -0.05 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.06 2k5f s THR 60 Cb -0.09 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 2k5f s THR 60 CO -0.00 0.30 0.23 0.00 -0.69 0.00 0.00 174.62 174.46 2k5f s MET 61 N 1.58 1.86 0.39 4.92 0.23 -0.71 -4.95 119.30 122.62 2k5f s MET 61 Ca 0.07 -2.11 -0.02 0.00 -1.03 0.00 0.00 55.69 52.60 2k5f s MET 61 Cb -0.15 -0.02 -0.03 0.00 -1.53 0.00 0.00 34.83 33.10 2k5f s MET 61 CO 0.08 -0.61 0.63 1.03 -2.03 0.00 0.00 175.02 174.12 2k5f s ARG 62 N -3.52 3.51 0.30 3.16 1.81 -1.26 -0.07 118.95 122.87 2k5f s ARG 62 Ca 0.34 -0.14 0.02 0.00 -1.72 0.00 0.00 55.73 54.22 2k5f s ARG 62 Cb 0.02 -2.56 0.47 0.00 -0.45 0.00 0.00 34.95 32.42 2k5f s ARG 62 CO 0.23 0.02 1.79 -0.09 -0.68 0.00 0.00 175.30 176.58 2k5f h ARG 63 N 0.58 0.58 -0.19 3.54 2.43 -1.92 -2.48 114.38 116.92 2k5f h ARG 63 Ca -0.49 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 58.57 2k5f h ARG 63 Cb 1.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2k5f h ARG 63 CO 0.61 0.67 0.13 -2.95 -1.51 0.00 0.00 179.97 176.92 2k5f h ASN 64 N 0.54 0.01 -0.01 -3.80 7.08 -1.94 0.60 115.58 118.06 2k5f h ASN 64 Ca 0.10 -0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.13 2k5f h ASN 64 Cb 0.48 -0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.73 2k5f h ASN 64 CO 0.03 0.01 -0.72 -0.33 -2.08 0.00 0.00 177.43 174.33 2k5f h GLU 65 N 0.02 0.51 -0.23 4.14 5.08 -1.85 -3.22 114.58 119.04 2k5f h GLU 65 Ca 0.09 -0.53 -0.13 0.00 -1.00 0.00 0.00 59.36 57.78 2k5f h GLU 65 Cb 0.33 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k5f h GLU 65 CO -0.00 1.17 -0.41 0.00 -1.00 0.00 0.00 179.01 178.77 2k5f h ALA 66 N 0.36 0.87 -0.72 3.43 0.00 -0.71 -2.53 119.26 119.97 2k5f h ALA 66 Ca -0.09 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.48 2k5f h ALA 66 Cb 1.41 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 2k5f h ALA 66 CO 0.14 0.64 0.37 0.93 0.00 0.00 0.00 179.25 181.33 2k5f h GLU 67 N 0.44 0.61 0.00 0.00 4.39 0.00 -1.17 114.58 118.84 2k5f h GLU 67 Ca 0.04 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2k5f h GLU 67 Cb 0.90 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2k5f h GLU 67 CO 0.08 0.40 -0.30 0.78 -1.16 0.00 0.00 179.01 178.81 2k5f h GLY 68 N 0.62 0.00 -5.14 -3.84 0.00 -1.48 -3.43 103.07 89.81 2k5f h GLY 68 Ca 0.35 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.10 2k5f h GLY 68 CO -0.26 0.00 0.76 -0.42 0.00 0.00 0.00 176.54 176.62 2k5f s ILE 69 N -4.17 4.70 -0.18 2.60 1.01 -0.48 -0.53 121.20 124.15 2k5f s ILE 69 Ca -0.03 1.99 -0.13 0.00 0.00 0.00 0.00 60.65 62.48 2k5f s ILE 69 Cb 0.14 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2k5f s ILE 69 CO 0.69 -0.16 0.27 -0.89 0.00 0.00 0.00 174.94 174.84 2k5f s THR 70 N 3.13 5.31 0.28 2.92 2.01 0.13 -0.17 115.64 129.26 2k5f s THR 70 Ca 0.43 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.96 2k5f s THR 70 Cb -0.15 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 2k5f s THR 70 CO 0.06 0.37 -0.02 0.68 -0.69 0.00 0.00 174.62 175.03 2k5f s VAL 71 N 0.65 1.39 -0.09 3.82 -7.23 0.17 -0.84 120.40 118.27 2k5f s VAL 71 Ca 0.15 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2k5f s VAL 71 Cb -0.13 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2k5f s VAL 71 CO 0.04 -0.24 -0.12 -2.28 -0.31 0.00 0.00 175.10 172.19 2k5f s HIS 72 N -3.18 1.58 0.19 2.82 5.65 0.03 -4.02 115.29 118.37 2k5f s HIS 72 Ca 0.31 -0.67 -0.31 0.00 0.25 0.00 0.00 55.06 54.64 2k5f s HIS 72 Cb 0.05 -1.19 -0.10 0.00 -1.18 0.00 0.00 32.58 30.17 2k5f s HIS 72 CO 0.12 -0.38 1.47 0.42 -0.65 0.00 0.00 174.74 175.73 2k5f s ILE 73 N 0.97 2.79 -1.29 0.89 1.01 -1.26 -0.28 121.20 124.02 2k5f s ILE 73 Ca -0.08 0.61 -0.17 0.00 0.00 0.00 0.00 60.65 61.00 2k5f s ILE 73 Cb -0.15 -3.39 0.09 0.00 0.01 0.00 0.00 42.46 39.02 2k5f s ILE 73 CO -0.00 0.07 1.72 0.18 0.00 0.00 0.00 174.94 176.91 2k5f n LEU 74 N 3.29 5.11 0.00 2.97 4.77 0.45 -4.79 117.00 128.80 2k5f n LEU 74 Ca 0.10 -4.02 -0.00 0.00 -0.03 0.00 0.00 56.01 52.06 2k5f n LEU 74 Cb 0.40 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 2k5f n LEU 74 CO 0.60 0.31 0.04 0.00 -1.33 0.00 0.00 177.39 177.01 2k5f n ALA 75 N 7.79 -0.12 -1.15 -1.18 0.00 -1.26 -4.93 120.51 119.65 2k5f n ALA 75 Ca 0.47 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 2k5f n ALA 75 Cb 0.45 0.02 0.12 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.03 4.94 3.32 0.00 0.00 -1.26 -4.87 105.19 107.28 2k5f n GLY 76 Ca -0.00 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.31 5.68 -0.30 1.61 2.15 -1.26 -5.03 116.67 118.21 2k5f s ASP 77 Ca 0.56 -1.25 -0.03 0.00 0.43 0.00 0.00 52.55 52.26 2k5f s ASP 77 Cb 0.45 -2.00 0.10 0.00 -0.30 0.00 0.00 42.92 41.17 2k5f s ASP 77 CO 0.05 -0.46 0.11 -0.70 -0.17 0.00 0.00 175.17 174.00 2k5f s GLU 78 N 1.49 0.42 -0.06 4.34 2.12 -1.26 -4.84 118.70 120.91 2k5f s GLU 78 Ca 0.02 -0.76 0.21 0.00 0.36 0.00 0.00 54.97 54.81 2k5f s GLU 78 Cb -0.21 -1.53 0.41 0.00 0.26 0.00 0.00 34.13 33.07 2k5f s GLU 78 CO 0.04 -1.00 1.18 0.41 -0.54 0.00 0.00 175.26 175.35 2k5f n GLY 79 N 5.08 2.17 3.27 -1.50 0.00 -1.26 -5.09 105.19 107.85 2k5f n GLY 79 Ca -0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.92 -0.07 -0.03 1.61 -3.43 -1.26 -5.14 115.29 106.04 2k5f s HIS 80 Ca 0.34 -0.23 -0.30 0.00 -0.80 0.00 0.00 55.06 54.08 2k5f s HIS 80 Cb 0.37 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.61 2k5f s HIS 80 CO -0.14 -0.60 1.07 -2.14 -2.00 0.00 0.00 174.74 170.93 2k5f s PRO 81 N -3.47 4.46 0.08 -0.38 0.02 -1.26 -4.98 135.00 129.46 2k5f s PRO 81 Ca 0.01 1.52 -0.36 0.00 0.02 0.00 0.00 61.00 62.19 2k5f s PRO 81 Cb 0.02 -3.49 -0.18 0.00 0.02 0.00 0.00 34.50 30.87 2k5f s PRO 81 CO -0.09 -0.25 1.57 0.45 -0.33 0.00 0.00 177.00 178.35 2k5f h HIS 82 N 7.02 -1.30 0.00 6.54 3.86 -2.00 -3.31 115.15 125.96 2k5f h HIS 82 Ca -0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2k5f h HIS 82 Cb 1.18 0.48 0.00 0.00 1.06 0.00 0.00 27.41 30.13 2k5f h HIS 82 CO 0.70 -0.70 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2k5f n GLY 83 N -1.60 1.60 3.27 2.45 0.00 -1.26 -2.65 105.19 107.00 2k5f n GLY 83 Ca -0.14 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2k5f n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5f s TRP 84 N -1.29 1.95 0.58 1.61 0.52 -1.26 -5.13 118.94 115.92 2k5f s TRP 84 Ca 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 2k5f s TRP 84 Cb 0.00 -1.19 0.12 0.00 -1.15 0.00 0.00 33.47 31.26 2k5f s TRP 84 CO 0.00 0.07 0.79 -0.35 0.02 0.00 0.00 176.95 177.48 2k5f n PRO 85 N 2.01 -0.34 0.00 4.98 -0.05 -1.26 -5.03 135.00 135.31 2k5f n PRO 85 Ca -0.17 -1.67 0.00 0.00 -0.05 0.00 0.00 63.50 61.62 2k5f n PRO 85 Cb 0.53 -0.67 0.00 0.00 -0.05 0.00 0.00 33.50 33.30 2k5f n PRO 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2k5f n GLY 86 N -0.59 -0.12 0.13 0.55 0.00 -1.26 -5.09 105.19 98.81 2k5f n GLY 86 Ca 0.11 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.34 -2.61 1.61 3.72 -1.26 -5.07 117.46 114.19 2k5f n PHE 87 Ca 0.00 0.11 -0.03 0.00 -0.05 0.00 0.00 57.45 57.48 2k5f n PHE 87 Cb 0.00 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.50 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 -3.86 -2.69 -2.08 -1.08 1.74 -1.26 -4.98 116.66 102.46 2k5f n ARG 88 Ca -0.45 2.28 -0.33 0.00 -0.77 0.00 0.00 57.85 58.59 2k5f n ARG 88 Cb 0.91 -4.98 0.01 0.00 -1.02 0.00 0.00 32.46 27.38 2k5f n ARG 88 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2k5f s ARG 89 N -1.82 3.40 -0.04 5.56 0.52 -1.26 -5.08 118.95 120.23 2k5f s ARG 89 Ca 0.09 1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 56.34 2k5f s ARG 89 Cb -0.02 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.42 2k5f s ARG 89 CO 0.68 -0.74 0.28 -0.98 0.02 0.00 0.00 175.30 174.56 2k5f s ARG 90 N -4.10 0.54 0.00 3.54 1.70 -1.26 -5.09 118.95 114.29 2k5f s ARG 90 Ca 0.63 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.84 2k5f s ARG 90 Cb -0.15 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 2k5f s ARG 90 CO 0.37 -0.13 0.00 1.58 -1.08 0.00 0.00 175.30 176.04 2k5f n HIS 91 N 1.78 -0.86 -2.24 5.89 -0.00 -1.26 -5.14 115.22 113.39 2k5f n HIS 91 Ca -0.19 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 57.96 2k5f n HIS 91 Cb 0.56 0.17 -0.03 0.00 -0.12 0.00 0.00 29.99 30.58 2k5f n HIS 91 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k5f n ARG 92 N -1.51 -3.67 -3.30 1.57 1.74 -1.26 -5.11 116.66 105.12 2k5f n ARG 92 Ca 0.00 2.85 -0.09 0.00 -0.77 0.00 0.00 57.85 59.83 2k5f n ARG 92 Cb 0.00 -4.00 -0.00 0.00 -1.02 0.00 0.00 32.46 27.44 2k5f n ARG 92 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2k5f n PHE 93 N 1.33 -1.61 0.00 -1.55 -1.74 -1.26 -5.17 117.46 107.46 2k5f n PHE 93 Ca -0.23 -1.65 0.00 0.00 -0.56 0.00 0.00 57.45 55.01 2k5f n PHE 93 Cb 0.36 0.56 0.00 0.00 1.52 0.00 0.00 39.48 41.92 2k5f n PHE 93 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k5f n GLY 94 N -0.43 2.26 3.51 4.97 0.00 -1.26 -5.16 105.19 109.09 2k5f n GLY 94 Ca -0.03 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2k5f n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5f s LYS 95 N -0.49 2.22 0.82 1.61 1.02 -1.26 -5.14 119.74 118.53 2k5f s LYS 95 Ca 0.00 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 54.98 2k5f s LYS 95 Cb 0.00 -2.30 0.13 0.00 -0.52 0.00 0.00 37.83 35.14 2k5f s LYS 95 CO 0.00 0.55 1.16 -0.98 -0.92 0.00 0.00 175.35 175.16 2k5f s ARG 96 N -1.54 1.51 -0.04 1.68 1.70 -1.26 -5.10 118.95 115.91 2k5f s ARG 96 Ca 0.16 -0.37 0.02 0.00 -0.47 0.00 0.00 55.73 55.07 2k5f s ARG 96 Cb -0.11 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.25 2k5f s ARG 96 CO 0.07 -1.77 -0.08 0.00 -1.08 0.00 0.00 175.30 172.44 2k5f s ALA 97 N -3.53 0.85 -0.07 7.88 0.00 -1.26 -5.14 121.76 120.50 2k5f s ALA 97 Ca 0.66 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2k5f s ALA 97 Cb -0.07 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2k5f s ALA 97 CO 0.48 0.09 -0.12 -0.48 0.00 0.00 0.00 175.76 175.73 2k5f s LEU 98 N 0.51 1.62 0.00 0.00 2.34 -1.26 -5.13 118.68 116.76 2k5f s LEU 98 Ca -0.08 -0.30 -0.08 0.00 0.06 0.00 0.00 54.13 53.73 2k5f s LEU 98 Cb -0.12 -0.82 0.00 0.00 -0.56 0.00 0.00 46.19 44.70 2k5f s LEU 98 CO 0.01 0.02 0.15 -0.70 -1.06 0.00 0.00 176.35 174.78 2k5f s GLU 99 N 0.72 0.52 0.44 1.48 2.12 -1.26 -5.15 118.70 117.57 2k5f s GLU 99 Ca -0.14 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.56 2k5f s GLU 99 Cb -0.16 0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.37 2k5f s GLU 99 CO 0.03 -0.13 1.11 -1.58 -0.54 0.00 0.00 175.26 174.15 2k5f s HIS 100 N -1.47 3.03 -0.10 5.30 5.65 -1.26 -4.99 115.29 121.45 2k5f s HIS 100 Ca -0.14 1.58 -0.30 0.00 0.25 0.00 0.00 55.06 56.45 2k5f s HIS 100 Cb -0.07 -3.25 -0.02 0.00 -1.18 0.00 0.00 32.58 28.06 2k5f s HIS 100 CO 0.01 -1.10 1.20 -1.58 -0.65 0.00 0.00 174.74 172.62 2k5f s HIS 101 N -1.64 3.12 -0.75 3.88 2.46 -1.26 -4.95 115.29 116.16 2k5f s HIS 101 Ca 0.62 1.20 -0.26 0.00 0.47 0.00 0.00 55.06 57.08 2k5f s HIS 101 Cb -0.25 -3.42 0.02 0.00 -0.13 0.00 0.00 32.58 28.80 2k5f s HIS 101 CO 0.30 -1.30 1.46 -1.01 -2.47 0.00 0.00 174.74 171.72 2k5f s HIS 102 N 2.63 2.14 0.36 3.88 3.76 -1.26 -4.12 115.29 122.68 2k5f s HIS 102 Ca 0.54 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 2k5f s HIS 102 Cb -0.23 -4.49 0.00 0.00 1.11 0.00 0.00 32.58 28.97 2k5f s HIS 102 CO 0.19 -2.11 0.00 1.58 -0.85 0.00 0.00 174.74 173.55 2k5f n HIS 103 N 10.29 -4.23 -3.56 1.40 -0.00 -1.26 -5.14 115.22 112.73 2k5f n HIS 103 Ca 0.12 1.25 -0.12 0.00 0.46 0.00 0.00 57.72 59.43 2k5f n HIS 103 Cb 0.50 3.22 -0.04 0.00 -0.12 0.00 0.00 29.99 33.55 2k5f n HIS 103 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5f s HIS 104 N -2.00 -0.36 -2.88 1.57 -3.43 -1.26 -5.34 115.29 101.59 2k5f s HIS 104 Ca 0.00 0.17 0.25 0.00 -0.80 0.00 0.00 55.06 54.68 2k5f s HIS 104 Cb 0.00 0.36 0.39 0.00 -1.43 0.00 0.00 32.58 31.90 2k5f s HIS 104 CO 0.00 -0.72 1.37 1.58 -2.00 0.00 0.00 174.74 174.97