#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 3.68 0.41 2.12 3.01 -1.26 0.20 119.74 127.90 2k5f s LYS 2 Ca 0.00 0.08 0.14 0.00 -1.01 0.00 0.00 55.97 55.18 2k5f s LYS 2 Cb 0.00 -2.64 0.88 0.00 -1.01 0.00 0.00 37.83 35.06 2k5f s LYS 2 CO 0.00 0.24 1.92 1.25 0.51 0.00 0.00 175.35 179.27 2k5f h LEU 3 N 1.91 0.00 -0.48 3.17 5.85 -0.40 -1.59 115.31 123.77 2k5f h LEU 3 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k5f h LEU 3 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k5f h LEU 3 CO 0.67 0.27 0.00 0.77 -0.34 0.00 0.00 178.44 179.81 2k5f h SER 4 N 0.00 0.00 0.83 1.25 4.64 -1.75 -2.86 113.55 115.66 2k5f h SER 4 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k5f h SER 4 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2k5f h SER 4 CO 0.03 0.00 -0.65 -0.62 -0.87 0.00 0.00 176.83 174.73 2k5f n GLU 5 N -2.38 0.28 -0.71 4.77 1.02 -0.61 -4.93 120.64 118.09 2k5f n GLU 5 Ca 0.03 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.96 2k5f n GLU 5 Cb 0.33 -1.68 0.22 0.00 -0.02 0.00 0.00 31.44 30.29 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 -4.17 1.45 0.27 -4.62 1.43 -1.08 -4.98 118.68 106.97 2k5f s LEU 6 Ca 0.06 1.62 0.09 0.00 -1.03 0.00 0.00 54.13 54.87 2k5f s LEU 6 Cb 0.14 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2k5f s LEU 6 CO 0.72 -3.73 0.05 -0.54 0.23 0.00 0.00 176.35 173.09 2k5f s LYS 7 N -4.60 2.44 -0.49 1.70 1.02 -1.26 -5.04 119.74 113.51 2k5f s LYS 7 Ca 0.67 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 55.04 2k5f s LYS 7 Cb -0.23 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2k5f s LYS 7 CO 0.62 0.35 1.82 0.00 -0.92 0.00 0.00 175.35 177.22 2k5f s ALA 8 N -2.29 2.47 0.00 5.17 0.00 -1.26 -1.71 121.76 124.14 2k5f s ALA 8 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2k5f s ALA 8 Cb -0.06 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2k5f s ALA 8 CO 0.21 -3.34 0.00 0.41 0.00 0.00 0.00 175.76 173.04 2k5f n GLY 9 N 5.56 1.04 3.81 0.00 0.00 0.72 -5.00 105.19 111.31 2k5f n GLY 9 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 7.08 -0.15 1.61 1.01 -0.69 -4.85 116.67 119.24 2k5f s ASP 10 Ca 0.00 1.61 -0.02 0.00 0.71 0.00 0.00 52.55 54.85 2k5f s ASP 10 Cb 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 2k5f s ASP 10 CO 0.00 -0.14 -0.08 -0.13 0.21 0.00 0.00 175.17 175.03 2k5f s ARG 11 N -2.46 3.50 0.16 8.23 0.52 -1.26 -2.16 118.95 125.48 2k5f s ARG 11 Ca 0.52 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 2k5f s ARG 11 Cb -0.14 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 2k5f s ARG 11 CO 0.19 0.16 0.08 0.00 0.02 0.00 0.00 175.30 175.75 2k5f s ALA 12 N 0.52 1.06 -0.11 2.13 0.00 -0.37 -0.83 121.76 124.16 2k5f s ALA 12 Ca -0.06 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 2k5f s ALA 12 Cb -0.15 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 2k5f s ALA 12 CO 0.03 -0.50 -0.09 -2.00 0.00 0.00 0.00 175.76 173.21 2k5f s GLU 13 N -4.07 3.23 -0.47 0.00 2.56 0.78 -1.80 118.70 118.94 2k5f s GLU 13 Ca 0.30 -0.60 -0.29 0.00 0.00 0.00 0.00 54.97 54.38 2k5f s GLU 13 Cb 0.07 -2.69 0.02 0.00 2.00 0.00 0.00 34.13 33.53 2k5f s GLU 13 CO 0.06 0.38 1.30 0.08 -0.56 0.00 0.00 175.26 176.52 2k5f s VAL 14 N -0.04 4.00 -0.12 3.70 1.01 -1.03 -1.02 120.40 126.90 2k5f s VAL 14 Ca -0.01 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 2k5f s VAL 14 Cb -0.14 -4.42 -0.26 0.00 0.00 0.00 0.00 36.38 31.56 2k5f s VAL 14 CO 0.03 -0.96 0.41 0.71 0.00 0.00 0.00 175.10 175.30 2k5f h THR 15 N 6.35 0.73 -1.52 3.92 1.35 -1.75 -0.51 112.91 121.48 2k5f h THR 15 Ca -0.26 -2.35 -0.08 0.00 -0.55 0.00 0.00 66.41 63.17 2k5f h THR 15 Cb 1.08 2.53 -0.26 0.00 -1.73 0.00 0.00 68.15 69.77 2k5f h THR 15 CO 1.12 0.82 -0.43 -0.44 -0.25 0.00 0.00 175.52 176.34 2k5f s SER 16 N -7.07 -0.35 -0.46 5.36 0.01 -0.97 -4.81 113.70 105.42 2k5f s SER 16 Ca -0.22 0.23 -0.24 0.00 1.31 0.00 0.00 55.95 57.02 2k5f s SER 16 Cb 0.06 1.48 0.03 0.00 0.21 0.00 0.00 66.02 67.80 2k5f s SER 16 CO 0.76 -0.30 0.86 0.54 0.41 0.00 0.00 173.24 175.51 2k5f s VAL 17 N 2.66 4.55 -0.08 3.43 0.11 -1.26 -0.21 120.40 129.60 2k5f s VAL 17 Ca 0.14 0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 59.74 2k5f s VAL 17 Cb -0.14 -4.39 -0.03 0.00 -1.53 0.00 0.00 36.38 30.29 2k5f s VAL 17 CO -0.22 -0.80 0.03 0.00 -3.33 0.00 0.00 175.10 170.78 2k5f s ALA 18 N 3.55 3.38 0.04 1.54 0.00 -0.88 -4.91 121.76 124.49 2k5f s ALA 18 Ca 0.33 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 2k5f s ALA 18 Cb -0.11 -1.54 0.06 0.00 0.00 0.00 0.00 23.12 21.53 2k5f s ALA 18 CO 0.24 0.61 0.83 0.00 0.00 0.00 0.00 175.76 177.44 2k5f n ALA 19 N 1.98 -2.28 -1.74 0.00 0.00 -1.26 -2.90 120.51 114.31 2k5f n ALA 19 Ca -0.18 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 2k5f n ALA 19 Cb 0.54 0.22 0.02 0.00 0.00 0.00 0.00 19.45 20.22 2k5f n ALA 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k5f n GLU 20 N -0.59 2.09 -0.28 0.00 4.07 -1.26 -4.67 120.64 120.00 2k5f n GLU 20 Ca 0.01 0.75 0.09 0.00 -0.06 0.00 0.00 57.16 57.95 2k5f n GLU 20 Cb 0.41 -2.55 0.24 0.00 -0.06 0.00 0.00 31.44 29.48 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2k5f h PRO 21 N 2.12 0.44 -0.47 5.31 0.13 -2.00 0.52 132.00 138.04 2k5f h PRO 21 Ca -0.50 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 2k5f h PRO 21 Cb 1.28 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2k5f h PRO 21 CO 0.60 0.29 -0.09 0.00 -0.23 0.00 0.00 178.00 178.57 2k5f h ALA 22 N 1.62 0.65 -0.09 -0.56 0.00 -1.99 -1.88 119.26 117.01 2k5f h ALA 22 Ca 0.48 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2k5f h ALA 22 Cb 0.81 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k5f h ALA 22 CO -0.45 0.53 -0.43 0.28 0.00 0.00 0.00 179.25 179.18 2k5f h VAL 23 N 0.74 1.39 -0.75 0.00 2.07 -1.43 -1.76 116.25 116.52 2k5f h VAL 23 Ca 0.12 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.87 2k5f h VAL 23 Cb 0.64 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 2k5f h VAL 23 CO 0.04 0.53 0.49 -0.09 0.02 0.00 0.00 177.57 178.56 2k5f h ARG 24 N 0.01 0.96 -0.51 1.57 2.43 -0.09 0.25 114.38 118.99 2k5f h ARG 24 Ca -0.03 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2k5f h ARG 24 Cb 1.08 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 2k5f h ARG 24 CO 0.09 0.63 0.28 -0.09 -1.51 0.00 0.00 179.97 179.37 2k5f h ARG 25 N 0.98 0.54 -0.23 0.20 9.65 -1.27 0.12 114.38 124.36 2k5f h ARG 25 Ca 0.28 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.10 2k5f h ARG 25 Cb -0.08 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 2k5f h ARG 25 CO -0.07 0.36 0.02 -0.09 2.80 0.00 0.00 179.97 182.98 2k5f h ARG 26 N 0.55 0.40 -0.35 0.20 2.43 -0.38 -0.53 114.38 116.70 2k5f h ARG 26 Ca 0.22 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2k5f h ARG 26 Cb 0.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2k5f h ARG 26 CO -0.13 0.56 0.23 -0.07 -1.51 0.00 0.00 179.97 179.05 2k5f h LEU 27 N 0.18 0.41 -1.22 3.80 3.38 -0.30 -0.66 115.31 120.90 2k5f h LEU 27 Ca 0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2k5f h LEU 27 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2k5f h LEU 27 CO 0.01 0.30 -0.09 0.24 0.09 0.00 0.00 178.44 178.99 2k5f h MET 28 N 0.48 0.42 -0.00 1.13 2.86 -0.66 0.12 114.93 119.27 2k5f h MET 28 Ca 0.13 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2k5f h MET 28 Cb -0.05 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2k5f h MET 28 CO -0.03 0.52 -0.65 0.22 1.06 0.00 0.00 176.91 178.04 2k5f h ASP 29 N 0.40 0.02 -0.16 1.22 3.58 -0.58 -3.02 116.42 117.89 2k5f h ASP 29 Ca 0.08 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2k5f h ASP 29 Cb 0.41 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2k5f h ASP 29 CO 0.02 0.66 -0.36 -0.07 -2.88 0.00 0.00 179.24 176.62 2k5f h LEU 30 N 0.01 0.58 0.00 2.28 3.38 -0.51 -3.47 115.31 117.59 2k5f h LEU 30 Ca -0.01 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2k5f h LEU 30 Cb 1.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2k5f h LEU 30 CO 0.09 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.27 2k5f n GLY 31 N 0.47 0.13 3.56 0.83 0.00 -0.46 -5.08 105.19 104.64 2k5f n GLY 31 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 3.51 0.46 0.99 0.20 0.30 -4.73 118.68 119.41 2k5f s LEU 32 Ca 0.00 -1.47 0.03 0.00 0.69 0.00 0.00 54.13 53.37 2k5f s LEU 32 Cb 0.00 -2.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.18 2k5f s LEU 32 CO 0.00 -1.53 0.10 0.68 -0.29 0.00 0.00 176.35 175.31 2k5f s VAL 33 N 5.10 0.68 -0.17 1.68 -7.23 -1.26 -3.07 120.40 116.12 2k5f s VAL 33 Ca 0.47 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 2k5f s VAL 33 Cb -0.00 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2k5f s VAL 33 CO -0.09 0.00 1.80 -0.60 -0.31 0.00 0.00 175.10 175.90 2k5f s ARG 34 N -3.74 3.73 0.00 4.82 3.52 -1.26 -1.43 118.95 124.59 2k5f s ARG 34 Ca 0.15 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 2k5f s ARG 34 Cb 0.01 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2k5f s ARG 34 CO 0.10 -1.39 0.00 0.41 -0.81 0.00 0.00 175.30 173.61 2k5f n GLY 35 N 4.85 0.67 3.62 8.12 0.00 -0.20 -5.03 105.19 117.23 2k5f n GLY 35 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 3.32 -0.04 4.61 0.00 -0.52 -4.86 121.76 122.28 2k5f s ALA 36 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 2k5f s ALA 36 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 2k5f s ALA 36 CO 0.00 -1.86 1.09 0.15 0.00 0.00 0.00 175.76 175.14 2k5f s LYS 37 N 4.24 4.44 0.06 0.00 3.01 -1.26 -2.46 119.74 127.77 2k5f s LYS 37 Ca 0.55 1.55 0.01 0.00 -1.01 0.00 0.00 55.97 57.07 2k5f s LYS 37 Cb -0.15 -3.49 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 2k5f s LYS 37 CO 0.24 -0.28 -0.05 -0.48 0.51 0.00 0.00 175.35 175.29 2k5f s LEU 38 N 1.67 2.42 -0.04 3.17 2.34 -0.74 -1.32 118.68 126.18 2k5f s LEU 38 Ca 0.53 -0.85 0.02 0.00 0.06 0.00 0.00 54.13 53.89 2k5f s LEU 38 Cb -0.23 0.02 0.01 0.00 -0.56 0.00 0.00 46.19 45.43 2k5f s LEU 38 CO 0.23 -0.44 -0.08 -0.75 -1.06 0.00 0.00 176.35 174.26 2k5f s LYS 39 N -3.14 1.05 -0.25 1.48 2.20 -0.38 -1.24 119.74 119.46 2k5f s LYS 39 Ca 0.03 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 2k5f s LYS 39 Cb 0.01 -0.96 -0.01 0.00 -1.51 0.00 0.00 37.83 35.36 2k5f s LYS 39 CO -0.05 0.03 1.39 0.08 -0.36 0.00 0.00 175.35 176.44 2k5f s VAL 40 N 0.52 4.03 -0.11 4.02 1.01 -0.92 -0.44 120.40 128.51 2k5f s VAL 40 Ca -0.08 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 2k5f s VAL 40 Cb -0.12 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 2k5f s VAL 40 CO 0.01 -0.36 0.41 -0.07 0.00 0.00 0.00 175.10 175.10 2k5f h LEU 41 N 10.87 -0.03 -7.18 3.92 3.38 -1.05 0.20 115.31 125.43 2k5f h LEU 41 Ca -0.29 -0.43 0.16 0.00 0.09 0.00 0.00 57.88 57.42 2k5f h LEU 41 Cb 1.12 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 2k5f h LEU 41 CO 1.01 0.67 0.56 -0.60 0.09 0.00 0.00 178.44 180.17 2k5f s ARG 42 N -2.07 0.80 0.11 1.13 6.06 -1.20 -4.43 118.95 119.36 2k5f s ARG 42 Ca -0.09 -0.35 0.05 0.00 -2.50 0.00 0.00 55.73 52.84 2k5f s ARG 42 Cb -0.01 0.33 -0.04 0.00 0.06 0.00 0.00 34.95 35.29 2k5f s ARG 42 CO 0.33 -0.36 0.03 -0.06 -2.50 0.00 0.00 175.30 172.74 2k5f s PHE 43 N -3.00 3.01 0.96 5.12 0.40 -1.26 -1.59 117.98 121.62 2k5f s PHE 43 Ca 0.08 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 2k5f s PHE 43 Cb -0.01 -1.52 0.16 0.00 0.51 0.00 0.00 43.02 42.17 2k5f s PHE 43 CO -0.05 0.50 1.09 0.00 0.70 0.00 0.00 175.22 177.45 2k5f s ALA 44 N -1.45 1.12 -1.97 5.36 0.00 -0.58 -4.82 121.76 119.43 2k5f s ALA 44 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2k5f s ALA 44 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k5f s ALA 44 CO 0.20 -2.71 0.23 -0.35 0.00 0.00 0.00 175.76 173.13 2k5f n PRO 45 N -4.13 0.00 -0.09 0.00 -0.04 -1.26 -0.30 135.00 129.18 2k5f n PRO 45 Ca 0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2k5f n PRO 45 Cb 0.55 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.73 0.73 0.00 1.53 4.77 -1.26 -4.96 117.00 117.08 2k5f n LEU 46 Ca 0.00 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2k5f n LEU 46 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2k5f n LEU 46 CO 0.00 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2k5f n GLY 47 N -0.26 0.57 3.64 -0.72 0.00 0.58 -4.95 105.19 104.06 2k5f n GLY 47 Ca 0.01 0.00 -0.08 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 -2.39 -0.87 0.82 1.61 2.15 -1.26 -4.69 116.67 112.05 2k5f s ASP 48 Ca 0.00 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.42 2k5f s ASP 48 Cb 0.00 1.38 0.00 0.00 -0.30 0.00 0.00 42.92 44.00 2k5f s ASP 48 CO 0.00 -0.23 0.00 -0.81 -0.17 0.00 0.00 175.17 173.96 2k5f n PRO 49 N 3.90 -0.03 -4.70 4.34 -0.04 -1.26 -4.62 135.00 132.59 2k5f n PRO 49 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.04 2k5f n PRO 49 Cb 0.58 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.82 1.20 -0.24 0.52 1.01 -0.17 -1.53 121.20 121.17 2k5f s ILE 50 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2k5f s ILE 50 Cb 0.00 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2k5f s ILE 50 CO 0.00 0.34 0.31 -1.61 0.00 0.00 0.00 174.94 173.98 2k5f s GLU 51 N -0.26 4.08 -0.00 2.79 2.02 -0.62 -2.11 118.70 124.59 2k5f s GLU 51 Ca 0.04 -0.01 0.05 0.00 0.02 0.00 0.00 54.97 55.07 2k5f s GLU 51 Cb -0.07 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 2k5f s GLU 51 CO -0.00 -0.10 -0.17 0.14 0.02 0.00 0.00 175.26 175.15 2k5f s VAL 52 N 1.53 1.31 -0.56 2.63 -7.23 -1.04 -0.38 120.40 116.65 2k5f s VAL 52 Ca 0.14 -0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 59.36 2k5f s VAL 52 Cb -0.15 -1.10 0.10 0.00 0.56 0.00 0.00 36.38 35.79 2k5f s VAL 52 CO 0.08 0.32 0.63 0.21 -0.31 0.00 0.00 175.10 176.04 2k5f s ASN 53 N -0.51 6.19 -0.33 4.85 3.84 0.41 -2.10 114.94 127.29 2k5f s ASN 53 Ca 0.06 -1.37 -0.09 0.00 0.21 0.00 0.00 52.86 51.67 2k5f s ASN 53 Cb -0.07 -2.28 0.02 0.00 -0.55 0.00 0.00 41.25 38.37 2k5f s ASN 53 CO -0.00 -0.99 0.15 0.00 -2.79 0.00 0.00 177.10 173.46 2k5f n ASN 55 N 4.93 -5.67 0.00 0.00 3.02 -0.43 -1.30 115.26 115.81 2k5f n ASN 55 Ca -0.13 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2k5f n ASN 55 Cb 0.47 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 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 -0.97 0.61 3.61 7.41 0.00 -1.26 -5.06 105.19 109.53 2k5f n GLY 56 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.77 2.94 -0.51 1.61 -1.94 -0.42 -5.08 119.30 115.12 2k5f s MET 57 Ca 0.00 -0.49 -0.18 0.00 -1.71 0.00 0.00 55.69 53.31 2k5f s MET 57 Cb 0.00 -2.70 0.07 0.00 2.01 0.00 0.00 34.83 34.21 2k5f s MET 57 CO 0.00 0.63 0.59 -0.51 -0.01 0.00 0.00 175.02 175.72 2k5f s LEU 58 N -0.71 5.19 -0.05 -0.03 1.43 -1.26 -0.48 118.68 122.76 2k5f s LEU 58 Ca 0.11 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.15 2k5f s LEU 58 Cb -0.11 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2k5f s LEU 58 CO 0.02 -0.88 -0.14 -1.48 0.23 0.00 0.00 176.35 174.10 2k5f s LEU 59 N 2.42 1.80 -0.24 1.79 2.34 -0.89 -5.01 118.68 120.88 2k5f s LEU 59 Ca 0.12 -0.31 -0.08 0.00 0.06 0.00 0.00 54.13 53.92 2k5f s LEU 59 Cb -0.21 -0.87 -0.04 0.00 -0.56 0.00 0.00 46.19 44.52 2k5f s LEU 59 CO 0.10 0.09 0.09 -0.89 -1.06 0.00 0.00 176.35 174.69 2k5f s THR 60 N 0.31 4.59 0.43 5.48 2.01 -1.26 -2.50 115.64 124.70 2k5f s THR 60 Ca -0.08 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.87 2k5f s THR 60 Cb -0.13 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2k5f s THR 60 CO 0.03 0.34 0.06 0.00 -0.69 0.00 0.00 174.62 174.36 2k5f s MET 61 N 1.45 1.98 0.26 4.92 0.23 -0.90 -4.97 119.30 122.27 2k5f s MET 61 Ca 0.06 -2.21 -0.10 0.00 -1.03 0.00 0.00 55.69 52.41 2k5f s MET 61 Cb -0.15 -1.08 -0.07 0.00 -1.53 0.00 0.00 34.83 31.99 2k5f s MET 61 CO 0.05 -0.34 0.59 1.03 -2.03 0.00 0.00 175.02 174.32 2k5f s ARG 62 N -3.80 3.82 0.40 3.16 1.81 -1.26 -0.99 118.95 122.09 2k5f s ARG 62 Ca 0.21 0.33 0.09 0.00 -1.72 0.00 0.00 55.73 54.64 2k5f s ARG 62 Cb 0.04 -2.60 0.83 0.00 -0.45 0.00 0.00 34.95 32.77 2k5f s ARG 62 CO 0.11 0.26 1.96 -0.09 -0.68 0.00 0.00 175.30 176.87 2k5f h ARG 63 N 2.37 0.30 0.00 3.54 2.43 -1.89 -0.42 114.38 120.72 2k5f h ARG 63 Ca -0.47 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 2k5f h ARG 63 Cb 1.17 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2k5f h ARG 63 CO 0.68 0.35 -0.16 -2.95 -1.51 0.00 0.00 179.97 176.38 2k5f h ASN 64 N 0.30 0.00 -0.14 -3.80 -1.07 -1.96 -0.40 115.58 108.51 2k5f h ASN 64 Ca 0.07 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.23 2k5f h ASN 64 Cb 0.25 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.51 2k5f h ASN 64 CO 0.01 0.16 -0.73 -0.33 0.07 0.00 0.00 177.43 176.61 2k5f h GLU 65 N 0.00 0.74 0.00 4.14 4.39 -1.48 -3.19 114.58 119.18 2k5f h GLU 65 Ca -0.00 -0.61 -0.03 0.00 0.34 0.00 0.00 59.36 59.05 2k5f h GLU 65 Cb 0.29 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2k5f h GLU 65 CO 0.02 1.22 -0.16 0.00 -1.16 0.00 0.00 179.01 178.93 2k5f h ALA 66 N 0.52 1.26 -0.54 3.43 0.00 -0.73 -2.51 119.26 120.69 2k5f h ALA 66 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k5f h ALA 66 Cb 1.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2k5f h ALA 66 CO 0.15 0.20 0.28 0.93 0.00 0.00 0.00 179.25 180.81 2k5f h GLU 67 N 0.00 0.76 -0.03 0.00 5.08 -1.09 -2.53 114.58 116.78 2k5f h GLU 67 Ca -0.00 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2k5f h GLU 67 Cb 0.43 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k5f h GLU 67 CO 0.02 0.61 -0.33 0.78 -1.00 0.00 0.00 179.01 179.09 2k5f h GLY 68 N 0.72 0.06 -5.53 -3.84 0.00 -1.55 -3.43 103.07 89.50 2k5f h GLY 68 Ca 0.19 -0.05 -0.57 0.00 0.00 0.00 0.00 47.33 46.90 2k5f h GLY 68 CO -0.03 0.04 0.96 -0.42 0.00 0.00 0.00 176.54 177.10 2k5f s ILE 69 N -4.30 4.13 -0.24 2.60 1.01 -0.98 -2.08 121.20 121.34 2k5f s ILE 69 Ca -0.03 1.33 -0.12 0.00 0.00 0.00 0.00 60.65 61.83 2k5f s ILE 69 Cb 0.15 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2k5f s ILE 69 CO 0.73 -0.27 0.24 -0.89 0.00 0.00 0.00 174.94 174.75 2k5f s THR 70 N 4.02 5.29 0.27 2.92 2.01 0.71 -0.40 115.64 130.46 2k5f s THR 70 Ca 0.58 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.98 2k5f s THR 70 Cb -0.21 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 2k5f s THR 70 CO 0.20 0.28 -0.06 0.68 -0.69 0.00 0.00 174.62 175.03 2k5f s VAL 71 N 1.39 1.60 -0.07 3.82 -7.23 0.13 -2.11 120.40 117.93 2k5f s VAL 71 Ca 0.11 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2k5f s VAL 71 Cb -0.15 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.38 2k5f s VAL 71 CO 0.07 -0.31 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.20 2k5f s HIS 72 N -3.04 1.15 0.19 2.82 2.46 -0.19 -3.28 115.29 115.40 2k5f s HIS 72 Ca 0.29 -0.43 -0.32 0.00 0.47 0.00 0.00 55.06 55.07 2k5f s HIS 72 Cb 0.04 -0.94 -0.11 0.00 -0.13 0.00 0.00 32.58 31.44 2k5f s HIS 72 CO 0.12 -0.30 1.70 0.42 -2.47 0.00 0.00 174.74 174.20 2k5f s ILE 73 N 1.09 2.23 -1.15 0.89 1.01 -1.26 -0.16 121.20 123.85 2k5f s ILE 73 Ca -0.07 0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 2k5f s ILE 73 Cb -0.14 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.33 2k5f s ILE 73 CO -0.01 0.01 1.53 -0.76 0.00 0.00 0.00 174.94 175.71 2k5f s LEU 74 N 1.36 3.96 0.37 2.97 1.43 -0.01 -4.85 118.68 123.91 2k5f s LEU 74 Ca 0.74 -2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 51.60 2k5f s LEU 74 Cb -0.48 -2.54 0.06 0.00 0.03 0.00 0.00 46.19 43.26 2k5f s LEU 74 CO 0.32 -1.24 0.83 0.00 0.23 0.00 0.00 176.35 176.49 2k5f s ALA 75 N 4.08 -0.79 0.85 4.21 0.00 -1.26 -4.93 121.76 123.92 2k5f s ALA 75 Ca 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2k5f s ALA 75 Cb 0.01 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2k5f s ALA 75 CO -0.02 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2k5f n GLY 76 N -0.56 -0.41 3.54 0.00 0.00 -1.26 -4.95 105.19 101.54 2k5f n GLY 76 Ca -0.08 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.00 6.18 -0.39 1.61 2.15 -1.26 -4.96 116.67 119.00 2k5f s ASP 77 Ca 0.00 -0.58 -0.28 0.00 0.43 0.00 0.00 52.55 52.12 2k5f s ASP 77 Cb 0.00 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2k5f s ASP 77 CO 0.00 -1.76 1.76 -0.70 -0.17 0.00 0.00 175.17 174.30 2k5f s GLU 78 N 5.44 3.24 -0.11 4.34 -6.30 -1.26 -4.66 118.70 119.39 2k5f s GLU 78 Ca 0.34 1.23 0.04 0.00 -2.50 0.00 0.00 54.97 54.07 2k5f s GLU 78 Cb -0.09 -4.21 0.14 0.00 0.00 0.00 0.00 34.13 29.97 2k5f s GLU 78 CO 0.13 -1.97 1.15 0.41 0.02 0.00 0.00 175.26 175.00 2k5f n GLY 79 N 5.42 0.97 3.08 -1.50 0.00 -1.26 -5.14 105.19 106.77 2k5f n GLY 79 Ca 0.22 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.04 0.65 -1.05 1.61 3.76 -1.26 -5.06 115.29 113.99 2k5f s HIS 80 Ca 0.03 -0.69 -0.25 0.00 -0.15 0.00 0.00 55.06 54.01 2k5f s HIS 80 Cb 0.15 -0.40 -0.13 0.00 1.11 0.00 0.00 32.58 33.31 2k5f s HIS 80 CO -0.04 -0.15 2.06 -2.14 -0.85 0.00 0.00 174.74 173.61 2k5f s PRO 81 N -2.47 1.99 -0.35 8.40 0.02 -1.26 -3.98 135.00 137.35 2k5f s PRO 81 Ca -0.03 -0.55 -0.09 0.00 0.02 0.00 0.00 61.00 60.35 2k5f s PRO 81 Cb -0.04 -5.07 0.01 0.00 0.02 0.00 0.00 34.50 29.43 2k5f s PRO 81 CO -0.02 -4.39 0.30 1.58 -0.33 0.00 0.00 177.00 174.13 2k5f n HIS 82 N 16.49 -3.48 -0.27 6.54 -0.00 -1.26 -4.90 115.22 128.34 2k5f n HIS 82 Ca 0.43 1.48 -0.01 0.00 -0.00 0.00 0.00 57.72 59.63 2k5f n HIS 82 Cb 0.46 -3.74 0.22 0.00 -0.00 0.00 0.00 29.99 26.93 2k5f n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k5f n GLY 83 N 0.26 2.74 3.60 1.57 0.00 -1.26 -4.89 105.19 107.21 2k5f n GLY 83 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.12 2.77 -0.03 1.61 0.52 -1.26 -5.07 118.94 115.35 2k5f s TRP 84 Ca 0.35 -0.15 -0.33 0.00 0.02 0.00 0.00 56.10 56.00 2k5f s TRP 84 Cb 0.28 -1.42 -0.11 0.00 -1.15 0.00 0.00 33.47 31.07 2k5f s TRP 84 CO 0.09 0.45 1.92 -2.30 0.02 0.00 0.00 176.95 177.13 2k5f n PRO 85 N 0.53 2.46 0.00 4.98 -0.02 -1.26 -4.59 135.00 137.10 2k5f n PRO 85 Ca -0.12 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2k5f n PRO 85 Cb 0.53 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2k5f n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5f n GLY 86 N 4.46 0.21 3.28 -1.23 0.00 -1.26 -5.00 105.19 105.65 2k5f n GLY 86 Ca 0.22 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.30 2k5f n GLY 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k5f s PHE 87 N 0.00 -1.50 -0.30 1.61 -0.71 -1.26 -5.08 117.98 110.73 2k5f s PHE 87 Ca 0.00 1.86 0.00 0.00 -1.04 0.00 0.00 56.93 57.76 2k5f s PHE 87 Cb 0.00 0.62 0.09 0.00 -1.21 0.00 0.00 43.02 42.52 2k5f s PHE 87 CO 0.00 -0.81 0.07 1.03 -1.34 0.00 0.00 175.22 174.17 2k5f s ARG 88 N 2.86 0.98 -0.42 1.99 3.00 -1.26 -5.01 118.95 121.09 2k5f s ARG 88 Ca 0.13 -1.22 0.03 0.00 0.00 0.00 0.00 55.73 54.67 2k5f s ARG 88 Cb -0.14 -2.34 0.16 0.00 0.00 0.00 0.00 34.95 32.63 2k5f s ARG 88 CO -0.20 -0.92 0.33 0.50 0.00 0.00 0.00 175.30 175.01 2k5f s ARG 89 N 1.44 0.95 0.00 3.54 3.00 -1.26 -4.97 118.95 121.65 2k5f s ARG 89 Ca 0.08 -2.06 0.13 0.00 -1.00 0.00 0.00 55.73 52.88 2k5f s ARG 89 Cb -0.18 -1.53 0.32 0.00 0.00 0.00 0.00 34.95 33.57 2k5f s ARG 89 CO -0.18 -1.35 1.24 -2.13 0.00 0.00 0.00 175.30 172.88 2k5f n ARG 90 N 2.99 2.49 -1.71 5.12 3.00 -1.26 -4.80 116.66 122.48 2k5f n ARG 90 Ca 0.26 -2.01 -0.42 0.00 -0.00 0.00 0.00 57.85 55.68 2k5f n ARG 90 Cb 0.45 -1.32 -0.02 0.00 0.00 0.00 0.00 32.46 31.58 2k5f n ARG 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2k5f n HIS 91 N 0.74 3.25 -3.15 -0.14 8.25 -1.26 -4.66 115.22 118.26 2k5f n HIS 91 Ca 0.13 -2.62 0.05 0.00 -0.26 0.00 0.00 57.72 55.01 2k5f n HIS 91 Cb 0.44 -2.37 -0.00 0.00 1.12 0.00 0.00 29.99 29.17 2k5f n HIS 91 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2k5f s ARG 92 N 3.89 0.40 -0.24 -0.41 3.52 -1.26 -5.04 118.95 119.81 2k5f s ARG 92 Ca 0.51 0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 56.51 2k5f s ARG 92 Cb 0.12 0.25 -0.17 0.00 -1.56 0.00 0.00 34.95 33.59 2k5f s ARG 92 CO -0.01 -0.64 -0.10 1.19 -0.81 0.00 0.00 175.30 174.93 2k5f n PHE 93 N 5.35 0.40 0.00 5.12 3.72 -1.26 -5.11 117.46 125.68 2k5f n PHE 93 Ca 0.03 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2k5f n PHE 93 Cb 0.54 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 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 1.69 3.64 2.74 1.37 0.00 -1.26 -5.10 105.19 108.26 2k5f n GLY 94 Ca -0.44 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 2k5f n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5f s LYS 95 N -5.07 0.20 -0.12 1.61 2.20 -1.26 -5.13 119.74 112.17 2k5f s LYS 95 Ca 0.00 0.15 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 2k5f s LYS 95 Cb 0.00 -1.17 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 2k5f s LYS 95 CO 0.00 -0.70 0.91 1.03 -0.36 0.00 0.00 175.35 176.24 2k5f s ARG 96 N 2.32 4.38 -0.28 4.03 0.52 -1.26 -5.03 118.95 123.63 2k5f s ARG 96 Ca 0.07 1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 56.37 2k5f s ARG 96 Cb -0.16 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 2k5f s ARG 96 CO -0.15 -0.28 0.20 0.00 0.02 0.00 0.00 175.30 175.09 2k5f s ALA 97 N 1.94 3.53 -0.33 2.13 0.00 -1.26 -5.04 121.76 122.72 2k5f s ALA 97 Ca 0.44 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2k5f s ALA 97 Cb -0.18 -2.50 0.12 0.00 0.00 0.00 0.00 23.12 20.56 2k5f s ALA 97 CO 0.16 -0.58 0.18 -0.48 0.00 0.00 0.00 175.76 175.03 2k5f s LEU 98 N 1.77 0.98 -0.41 0.00 0.05 -1.26 -5.04 118.68 114.76 2k5f s LEU 98 Ca 0.07 -1.84 0.04 0.00 0.05 0.00 0.00 54.13 52.45 2k5f s LEU 98 Cb -0.16 -0.44 0.17 0.00 -2.05 0.00 0.00 46.19 43.71 2k5f s LEU 98 CO 0.11 -0.36 0.35 -1.84 -0.55 0.00 0.00 176.35 174.05 2k5f n GLU 99 N 4.52 0.22 0.03 1.48 0.00 -1.26 -5.00 120.64 120.62 2k5f n GLU 99 Ca 0.04 -3.19 -0.01 0.00 0.00 0.00 0.00 57.16 54.00 2k5f n GLU 99 Cb 0.39 -1.67 -0.01 0.00 0.00 0.00 0.00 31.44 30.15 2k5f n GLU 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2k5f h HIS 100 N 5.59 -0.08 -4.45 -1.84 2.76 -2.07 -3.50 115.15 111.56 2k5f h HIS 100 Ca 0.26 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2k5f h HIS 100 Cb 0.91 0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.84 2k5f h HIS 100 CO 0.27 -0.05 -1.08 1.58 -1.30 0.00 0.00 177.93 177.35 2k5f n HIS 101 N -2.61 -3.91 -4.35 5.26 -0.00 -1.26 -5.06 115.22 103.30 2k5f n HIS 101 Ca -0.01 2.30 -0.28 0.00 -0.00 0.00 0.00 57.72 59.73 2k5f n HIS 101 Cb 0.03 -3.54 -0.11 0.00 -0.00 0.00 0.00 29.99 26.37 2k5f n HIS 101 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5f s HIS 102 N -0.53 2.45 0.23 1.57 -3.43 -1.26 -5.14 115.29 109.18 2k5f s HIS 102 Ca -0.12 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 2k5f s HIS 102 Cb 0.01 -1.24 -0.05 0.00 -1.43 0.00 0.00 32.58 29.87 2k5f s HIS 102 CO 0.33 0.46 0.11 -3.38 -2.00 0.00 0.00 174.74 170.26 2k5f s HIS 103 N -1.49 1.37 0.05 0.38 -3.43 -1.26 -5.18 115.29 105.74 2k5f s HIS 103 Ca 0.20 -1.26 -0.02 0.00 -0.80 0.00 0.00 55.06 53.18 2k5f s HIS 103 Cb -0.09 -0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 30.27 2k5f s HIS 103 CO 0.11 -0.46 -0.01 -3.38 -2.00 0.00 0.00 174.74 168.99 2k5f s HIS 104 N -3.93 0.48 0.00 0.38 -3.43 -1.26 -5.35 115.29 102.18 2k5f s HIS 104 Ca 0.38 -1.00 0.00 0.00 -0.80 0.00 0.00 55.06 53.64 2k5f s HIS 104 Cb 0.07 -0.35 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 2k5f s HIS 104 CO 0.13 -0.38 0.02 1.58 -2.00 0.00 0.00 174.74 174.08