#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 3.79 0.41 2.12 3.01 -1.26 -0.32 119.74 127.50 2k5f s LYS 2 Ca 0.00 0.78 0.14 0.00 -1.01 0.00 0.00 55.97 55.88 2k5f s LYS 2 Cb 0.00 -2.17 0.88 0.00 -1.01 0.00 0.00 37.83 35.54 2k5f s LYS 2 CO 0.00 -0.33 1.91 1.25 0.51 0.00 0.00 175.35 178.70 2k5f h LEU 3 N 0.54 0.00 -1.20 3.17 5.85 -0.59 -1.51 115.31 121.58 2k5f h LEU 3 Ca -0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 2k5f h LEU 3 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k5f h LEU 3 CO 0.62 0.27 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.69 2k5f h SER 4 N 0.00 0.00 -0.37 1.25 0.87 -1.71 -2.88 113.55 110.70 2k5f h SER 4 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k5f h SER 4 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2k5f h SER 4 CO 0.04 0.02 0.00 -0.62 -0.53 0.00 0.00 176.83 175.74 2k5f n GLU 5 N -3.12 2.15 -1.97 2.24 -0.58 -0.58 -4.92 120.64 113.87 2k5f n GLU 5 Ca 0.01 -1.76 -0.27 0.00 -0.42 0.00 0.00 57.16 54.71 2k5f n GLU 5 Cb 0.35 -1.44 0.18 0.00 -0.57 0.00 0.00 31.44 29.97 2k5f n GLU 5 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2k5f n LEU 6 N 0.95 0.00 -4.48 -4.62 4.77 -1.09 -4.89 117.00 107.64 2k5f n LEU 6 Ca 0.18 -1.53 -0.23 0.00 -0.03 0.00 0.00 56.01 54.40 2k5f n LEU 6 Cb 0.46 -0.92 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 2k5f n LEU 6 CO 0.13 -1.34 -0.29 -0.54 -1.33 0.00 0.00 177.39 174.03 2k5f s LYS 7 N -5.68 1.70 -0.41 3.23 1.02 -1.26 -5.04 119.74 113.29 2k5f s LYS 7 Ca 0.72 -1.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 2k5f s LYS 7 Cb -0.02 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 2k5f s LYS 7 CO 0.50 -0.13 1.49 0.00 -0.92 0.00 0.00 175.35 176.29 2k5f s ALA 8 N -3.14 2.97 0.00 5.17 0.00 -1.26 -1.69 121.76 123.81 2k5f s ALA 8 Ca 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2k5f s ALA 8 Cb 0.08 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2k5f s ALA 8 CO 0.15 -2.52 0.00 0.41 0.00 0.00 0.00 175.76 173.81 2k5f n GLY 9 N 5.18 0.95 3.63 0.00 0.00 0.11 -4.97 105.19 110.08 2k5f n GLY 9 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.96 6.69 -0.28 1.61 1.01 -0.68 -4.87 116.67 118.19 2k5f s ASP 10 Ca 0.00 0.78 -0.11 0.00 0.71 0.00 0.00 52.55 53.93 2k5f s ASP 10 Cb 0.00 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 2k5f s ASP 10 CO 0.00 -0.51 0.18 -0.60 0.21 0.00 0.00 175.17 174.44 2k5f s ARG 11 N 2.78 3.91 0.29 8.23 3.00 -1.26 -0.71 118.95 135.20 2k5f s ARG 11 Ca 0.31 -0.34 0.02 0.00 -1.00 0.00 0.00 55.73 54.72 2k5f s ARG 11 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 34.95 31.14 2k5f s ARG 11 CO 0.10 -0.18 0.13 0.00 0.00 0.00 0.00 175.30 175.34 2k5f s ALA 12 N 1.74 1.91 -0.07 6.12 0.00 0.88 -1.25 121.76 131.09 2k5f s ALA 12 Ca 0.07 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.29 2k5f s ALA 12 Cb -0.16 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2k5f s ALA 12 CO 0.10 -0.48 -0.20 -2.00 0.00 0.00 0.00 175.76 173.19 2k5f s GLU 13 N -3.91 2.39 0.00 0.00 2.12 0.25 -0.58 118.70 118.97 2k5f s GLU 13 Ca 0.36 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 2k5f s GLU 13 Cb 0.06 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.50 2k5f s GLU 13 CO 0.16 0.17 1.39 0.08 -0.54 0.00 0.00 175.26 176.52 2k5f s VAL 14 N 0.32 3.73 -0.19 3.70 1.01 -0.29 -0.77 120.40 127.90 2k5f s VAL 14 Ca -0.13 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 2k5f s VAL 14 Cb -0.16 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 2k5f s VAL 14 CO 0.06 0.00 0.11 0.71 0.00 0.00 0.00 175.10 175.98 2k5f h THR 15 N 4.90 0.67 -2.53 3.92 1.35 -1.63 0.66 112.91 120.25 2k5f h THR 15 Ca -0.38 -1.87 -0.09 0.00 -0.55 0.00 0.00 66.41 63.52 2k5f h THR 15 Cb 1.18 1.63 -0.24 0.00 -1.73 0.00 0.00 68.15 68.99 2k5f h THR 15 CO 0.90 0.23 -0.17 -0.44 -0.25 0.00 0.00 175.52 175.79 2k5f s SER 16 N -6.57 -0.55 -0.41 5.36 0.01 -1.20 -4.62 113.70 105.72 2k5f s SER 16 Ca -0.25 1.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.89 2k5f s SER 16 Cb 0.05 0.98 0.04 0.00 0.21 0.00 0.00 66.02 67.30 2k5f s SER 16 CO 0.49 -0.18 0.29 -0.69 0.41 0.00 0.00 173.24 173.56 2k5f s VAL 17 N 0.66 4.93 -0.46 3.43 1.01 -1.26 -1.71 120.40 126.99 2k5f s VAL 17 Ca -0.03 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 2k5f s VAL 17 Cb -0.05 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2k5f s VAL 17 CO -0.04 -0.37 0.46 0.00 0.00 0.00 0.00 175.10 175.15 2k5f s ALA 18 N 1.61 3.47 0.32 5.51 0.00 -0.89 -4.95 121.76 126.82 2k5f s ALA 18 Ca 0.04 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 2k5f s ALA 18 Cb -0.21 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2k5f s ALA 18 CO 0.07 -1.75 0.62 0.00 0.00 0.00 0.00 175.76 174.71 2k5f s ALA 19 N 2.05 -0.39 0.44 0.00 0.00 -1.26 -3.77 121.76 118.83 2k5f s ALA 19 Ca 0.09 -0.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.94 2k5f s ALA 19 Cb -0.21 0.92 -0.08 0.00 0.00 0.00 0.00 23.12 23.75 2k5f s ALA 19 CO 0.10 -0.92 1.38 -2.00 0.00 0.00 0.00 175.76 174.32 2k5f s GLU 20 N -3.28 3.77 0.24 0.00 -6.30 -1.26 -4.72 118.70 107.15 2k5f s GLU 20 Ca 0.20 2.32 -0.10 0.00 -2.50 0.00 0.00 54.97 54.89 2k5f s GLU 20 Cb -0.03 -2.68 0.36 0.00 0.00 0.00 0.00 34.13 31.78 2k5f s GLU 20 CO 0.12 -0.71 1.62 -1.00 0.02 0.00 0.00 175.26 175.30 2k5f h PRO 21 N 2.43 0.03 -0.23 4.30 0.13 -2.00 0.29 132.00 136.95 2k5f h PRO 21 Ca -0.50 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 2k5f h PRO 21 Cb 1.26 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k5f h PRO 21 CO 0.62 0.02 -0.59 0.00 -0.23 0.00 0.00 178.00 177.82 2k5f h ALA 22 N 1.73 0.53 -0.36 -0.56 0.00 -1.99 -2.08 119.26 116.54 2k5f h ALA 22 Ca 0.38 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k5f h ALA 22 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k5f h ALA 22 CO -0.73 0.69 0.02 0.28 0.00 0.00 0.00 179.25 179.51 2k5f h VAL 23 N 0.55 1.25 -0.61 0.00 2.07 -1.46 0.83 116.25 118.88 2k5f h VAL 23 Ca 0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2k5f h VAL 23 Cb 1.18 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2k5f h VAL 23 CO 0.12 0.32 0.36 -0.09 0.02 0.00 0.00 177.57 178.29 2k5f h ARG 24 N 0.45 0.83 -0.99 1.57 2.43 -0.51 0.16 114.38 118.32 2k5f h ARG 24 Ca 0.10 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2k5f h ARG 24 Cb 0.43 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2k5f h ARG 24 CO 0.02 0.61 0.65 -0.09 -1.51 0.00 0.00 179.97 179.65 2k5f h ARG 25 N 0.82 1.29 -0.10 0.20 9.65 -0.97 0.25 114.38 125.53 2k5f h ARG 25 Ca 0.22 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2k5f h ARG 25 Cb -0.00 -0.29 -0.00 0.00 -1.39 0.00 0.00 29.97 28.29 2k5f h ARG 25 CO -0.04 0.85 -0.11 0.00 2.80 0.00 0.00 179.97 183.48 2k5f h ARG 26 N 1.33 0.25 -0.40 0.20 3.08 -0.30 -0.67 114.38 117.87 2k5f h ARG 26 Ca 0.36 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k5f h ARG 26 Cb -0.15 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2k5f h ARG 26 CO -0.08 0.67 0.24 -0.07 -1.07 0.00 0.00 179.97 179.66 2k5f h LEU 27 N -0.16 0.48 -1.14 3.04 3.38 -0.40 -0.99 115.31 119.52 2k5f h LEU 27 Ca 0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2k5f h LEU 27 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2k5f h LEU 27 CO 0.03 0.40 -0.40 0.24 0.09 0.00 0.00 178.44 178.79 2k5f h MET 28 N 0.52 0.00 -0.27 1.13 2.86 -0.49 0.23 114.93 118.91 2k5f h MET 28 Ca 0.14 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 2k5f h MET 28 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2k5f h MET 28 CO -0.03 0.40 -0.30 0.22 1.06 0.00 0.00 176.91 178.27 2k5f h ASP 29 N 0.00 0.57 -0.12 1.22 3.58 -0.50 -2.97 116.42 118.20 2k5f h ASP 29 Ca -0.00 -0.21 -0.17 0.00 0.42 0.00 0.00 57.03 57.06 2k5f h ASP 29 Cb 0.78 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2k5f h ASP 29 CO 0.05 0.84 -0.59 -0.07 -2.88 0.00 0.00 179.24 176.59 2k5f h LEU 30 N 0.48 0.72 0.00 2.28 3.38 -0.66 -3.47 115.31 118.04 2k5f h LEU 30 Ca 0.06 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2k5f h LEU 30 Cb 0.75 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k5f h LEU 30 CO 0.06 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.44 2k5f n GLY 31 N 0.71 -0.11 3.30 0.83 0.00 -0.18 -4.91 105.19 104.83 2k5f n GLY 31 Ca -0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 2k5f n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k5f s LEU 32 N 0.00 6.51 0.00 0.99 0.20 0.64 -4.72 118.68 122.29 2k5f s LEU 32 Ca 0.00 -2.61 0.04 0.00 0.69 0.00 0.00 54.13 52.25 2k5f s LEU 32 Cb 0.00 -2.16 -0.01 0.00 -0.43 0.00 0.00 46.19 43.58 2k5f s LEU 32 CO 0.00 -0.58 0.13 1.33 -0.29 0.00 0.00 176.35 176.94 2k5f n VAL 33 N 4.06 0.00 -2.02 1.68 0.24 -1.26 -3.28 118.33 117.74 2k5f n VAL 33 Ca 0.10 -2.02 -0.42 0.00 -2.04 0.00 0.00 64.34 59.96 2k5f n VAL 33 Cb 0.45 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 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 -3.31 4.25 0.00 7.34 3.52 -1.26 -1.99 118.95 127.50 2k5f s ARG 34 Ca 0.19 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 2k5f s ARG 34 Cb 0.01 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2k5f s ARG 34 CO 0.13 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 2k5f n GLY 35 N 3.69 0.81 3.69 8.12 0.00 0.23 -5.01 105.19 116.72 2k5f n GLY 35 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.93 3.45 -0.20 4.61 0.00 -0.84 -4.84 121.76 121.02 2k5f s ALA 36 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2k5f s ALA 36 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2k5f s ALA 36 CO 0.00 -0.67 0.50 0.15 0.00 0.00 0.00 175.76 175.74 2k5f s LYS 37 N 1.96 4.19 0.04 0.00 1.02 -1.26 -1.14 119.74 124.56 2k5f s LYS 37 Ca 0.55 0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.95 2k5f s LYS 37 Cb -0.24 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.49 2k5f s LYS 37 CO 0.23 -0.12 -0.08 -0.48 -0.92 0.00 0.00 175.35 173.98 2k5f s LEU 38 N 1.53 2.25 -0.15 3.17 2.34 0.25 -1.35 118.68 126.71 2k5f s LEU 38 Ca 0.23 -0.54 0.02 0.00 0.06 0.00 0.00 54.13 53.90 2k5f s LEU 38 Cb -0.15 -0.21 0.01 0.00 -0.56 0.00 0.00 46.19 45.28 2k5f s LEU 38 CO 0.09 -0.18 -0.19 -0.75 -1.06 0.00 0.00 176.35 174.26 2k5f s LYS 39 N -1.54 3.08 -0.37 1.48 2.20 -0.06 -0.08 119.74 124.46 2k5f s LYS 39 Ca -0.09 -0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 54.42 2k5f s LYS 39 Cb -0.10 -2.52 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2k5f s LYS 39 CO 0.01 -0.03 1.66 0.08 -0.36 0.00 0.00 175.35 176.71 2k5f s VAL 40 N 0.87 3.62 0.01 4.02 1.01 0.12 -0.29 120.40 129.76 2k5f s VAL 40 Ca -0.05 0.63 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 2k5f s VAL 40 Cb -0.15 -3.86 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 2k5f s VAL 40 CO -0.02 -0.56 1.26 -0.07 0.00 0.00 0.00 175.10 175.71 2k5f h LEU 41 N 13.21 -0.38 -7.25 3.92 3.38 -1.17 0.30 115.31 127.33 2k5f h LEU 41 Ca -0.31 -0.15 0.23 0.00 0.09 0.00 0.00 57.88 57.73 2k5f h LEU 41 Cb 1.15 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 2k5f h LEU 41 CO 1.06 -0.03 0.67 0.00 0.09 0.00 0.00 178.44 180.22 2k5f s ARG 42 N -4.76 0.68 0.19 1.13 1.70 -1.17 -3.91 118.95 112.81 2k5f s ARG 42 Ca -0.14 -0.33 -0.02 0.00 -0.47 0.00 0.00 55.73 54.76 2k5f s ARG 42 Cb 0.02 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 2k5f s ARG 42 CO 0.54 -0.31 0.41 -0.06 -1.08 0.00 0.00 175.30 174.80 2k5f s PHE 43 N -2.79 3.48 0.92 5.89 0.40 -1.26 -1.40 117.98 123.21 2k5f s PHE 43 Ca 0.11 0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 56.77 2k5f s PHE 43 Cb 0.01 -1.93 0.14 0.00 0.51 0.00 0.00 43.02 41.75 2k5f s PHE 43 CO -0.03 0.37 1.11 0.00 0.70 0.00 0.00 175.22 177.36 2k5f s ALA 44 N -1.83 1.37 -2.00 5.36 0.00 0.22 -4.82 121.76 120.06 2k5f s ALA 44 Ca 0.40 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.66 2k5f s ALA 44 Cb -0.11 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2k5f s ALA 44 CO 0.28 -2.63 0.26 -0.35 0.00 0.00 0.00 175.76 173.32 2k5f n PRO 45 N -4.12 0.06 -0.16 0.00 -0.04 -1.26 -0.37 135.00 129.11 2k5f n PRO 45 Ca 0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2k5f n PRO 45 Cb 0.53 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.82 0.00 1.53 4.77 -1.26 -4.98 117.00 117.18 2k5f n LEU 46 Ca 0.01 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 2k5f n LEU 46 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2k5f n LEU 46 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2k5f n GLY 47 N -0.35 3.11 3.02 -0.72 0.00 0.50 -4.94 105.19 105.80 2k5f n GLY 47 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.94 -0.16 0.84 1.61 -1.08 -1.26 -4.49 116.67 111.18 2k5f s ASP 48 Ca 0.00 0.31 -0.00 0.00 -0.52 0.00 0.00 52.55 52.34 2k5f s ASP 48 Cb 0.00 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.76 2k5f s ASP 48 CO 0.00 -0.06 0.01 -0.81 0.52 0.00 0.00 175.17 174.82 2k5f n PRO 49 N 3.13 0.16 -5.14 4.34 -0.04 -1.26 -4.59 135.00 131.60 2k5f n PRO 49 Ca -0.14 -0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 2k5f n PRO 49 Cb 0.58 -0.01 -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 -0.69 2.35 -0.29 0.52 1.01 -0.59 -0.61 121.20 122.90 2k5f s ILE 50 Ca 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.55 2k5f s ILE 50 Cb -0.00 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2k5f s ILE 50 CO 0.00 0.55 0.06 -1.61 0.00 0.00 0.00 174.94 173.94 2k5f s GLU 51 N -0.74 3.07 -0.05 2.79 2.02 -0.49 -2.56 118.70 122.75 2k5f s GLU 51 Ca 0.11 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.29 2k5f s GLU 51 Cb -0.10 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 2k5f s GLU 51 CO -0.00 -0.43 -0.23 0.14 0.02 0.00 0.00 175.26 174.76 2k5f s VAL 52 N 1.47 1.87 -0.54 2.63 -7.23 -0.06 -0.61 120.40 117.94 2k5f s VAL 52 Ca 0.02 -0.98 -0.17 0.00 -1.81 0.00 0.00 61.98 59.05 2k5f s VAL 52 Cb -0.17 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.29 2k5f s VAL 52 CO 0.01 0.53 0.56 0.21 -0.31 0.00 0.00 175.10 176.10 2k5f s ASN 53 N -0.20 6.18 -0.34 4.85 3.84 0.60 0.35 114.94 130.23 2k5f s ASN 53 Ca -0.01 -1.52 -0.08 0.00 0.21 0.00 0.00 52.86 51.46 2k5f s ASN 53 Cb -0.12 -2.24 0.03 0.00 -0.55 0.00 0.00 41.25 38.36 2k5f s ASN 53 CO 0.02 -0.91 0.14 0.00 -2.79 0.00 0.00 177.10 173.57 2k5f n ASN 55 N 4.90 -5.04 0.00 0.00 3.02 -0.46 -0.75 115.26 116.93 2k5f n ASN 55 Ca -0.13 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2k5f n ASN 55 Cb 0.46 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 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 -0.74 0.60 3.48 7.41 0.00 -1.26 -5.05 105.19 109.62 2k5f n GLY 56 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.80 3.70 -0.50 1.61 -1.94 0.07 -5.06 119.30 116.38 2k5f s MET 57 Ca 0.00 -0.46 -0.28 0.00 -1.71 0.00 0.00 55.69 53.24 2k5f s MET 57 Cb 0.00 -3.29 0.03 0.00 2.01 0.00 0.00 34.83 33.58 2k5f s MET 57 CO 0.00 -0.10 1.10 -1.17 -0.01 0.00 0.00 175.02 174.84 2k5f s LEU 58 N 1.38 3.68 -0.08 -0.03 0.20 -1.26 -0.02 118.68 122.55 2k5f s LEU 58 Ca 0.05 0.30 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 2k5f s LEU 58 Cb -0.15 -3.38 -0.03 0.00 -0.43 0.00 0.00 46.19 42.20 2k5f s LEU 58 CO 0.03 -1.27 0.01 -0.76 -0.29 0.00 0.00 176.35 174.08 2k5f s LEU 59 N 4.42 3.62 -0.07 -0.68 1.43 0.16 -4.96 118.68 122.59 2k5f s LEU 59 Ca 0.44 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2k5f s LEU 59 Cb -0.08 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2k5f s LEU 59 CO 0.29 0.37 -0.14 -0.89 0.23 0.00 0.00 176.35 176.21 2k5f s THR 60 N -0.91 1.31 0.34 5.49 2.01 -1.26 -0.88 115.64 121.74 2k5f s THR 60 Ca 0.14 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 2k5f s THR 60 Cb -0.11 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.23 2k5f s THR 60 CO 0.03 0.40 0.58 0.00 -0.69 0.00 0.00 174.62 174.93 2k5f s MET 61 N 0.66 1.94 0.42 4.92 0.23 -1.06 -5.00 119.30 121.41 2k5f s MET 61 Ca -0.14 -1.55 -0.22 0.00 -1.03 0.00 0.00 55.69 52.75 2k5f s MET 61 Cb -0.16 0.51 -0.11 0.00 -1.53 0.00 0.00 34.83 33.54 2k5f s MET 61 CO 0.04 -0.84 0.96 1.03 -2.03 0.00 0.00 175.02 174.17 2k5f s ARG 62 N -3.03 4.24 0.49 3.16 1.81 -1.26 -1.55 118.95 122.82 2k5f s ARG 62 Ca 0.24 1.16 0.18 0.00 -1.72 0.00 0.00 55.73 55.60 2k5f s ARG 62 Cb -0.02 -2.25 1.23 0.00 -0.45 0.00 0.00 34.95 33.46 2k5f s ARG 62 CO 0.15 -0.02 2.08 -0.09 -0.68 0.00 0.00 175.30 176.74 2k5f h ARG 63 N 2.04 0.00 -0.81 3.54 2.43 -1.91 0.82 114.38 120.50 2k5f h ARG 63 Ca -0.49 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.78 2k5f h ARG 63 Cb 1.18 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 2k5f h ARG 63 CO 0.61 0.10 0.45 -0.97 -1.51 0.00 0.00 179.97 178.66 2k5f h ASN 64 N 0.00 0.62 -0.39 -3.80 -1.24 -1.97 -1.79 115.58 107.02 2k5f h ASN 64 Ca -0.00 0.06 -0.11 0.00 0.71 0.00 0.00 56.30 56.95 2k5f h ASN 64 Cb 0.20 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 2k5f h ASN 64 CO 0.01 0.35 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.01 2k5f h GLU 65 N 0.74 0.87 0.00 6.67 4.39 -1.22 -3.02 114.58 123.01 2k5f h GLU 65 Ca 0.40 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 2k5f h GLU 65 Cb 0.40 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2k5f h GLU 65 CO -0.26 0.96 -0.32 0.00 -1.16 0.00 0.00 179.01 178.23 2k5f h ALA 66 N 1.05 1.13 -0.32 3.43 0.00 -0.92 -2.10 119.26 121.53 2k5f h ALA 66 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2k5f h ALA 66 Cb 0.69 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k5f h ALA 66 CO 0.05 0.40 -0.09 0.93 0.00 0.00 0.00 179.25 180.53 2k5f h GLU 67 N 0.00 0.53 -0.23 0.00 4.39 -1.21 -2.36 114.58 115.70 2k5f h GLU 67 Ca -0.00 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 2k5f h GLU 67 Cb 0.73 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2k5f h GLU 67 CO 0.04 0.63 -0.28 0.78 -1.16 0.00 0.00 179.01 179.02 2k5f h GLY 68 N 0.91 0.49 -4.99 -3.84 0.00 -1.44 -3.44 103.07 90.77 2k5f h GLY 68 Ca 0.10 -0.41 -0.57 0.00 0.00 0.00 0.00 47.33 46.44 2k5f h GLY 68 CO 0.03 0.37 0.66 -0.42 0.00 0.00 0.00 176.54 177.18 2k5f s ILE 69 N -4.43 4.75 -0.17 2.60 1.01 -0.92 -2.09 121.20 121.94 2k5f s ILE 69 Ca -0.07 1.98 -0.13 0.00 0.00 0.00 0.00 60.65 62.44 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 0.79 -0.08 0.24 -0.89 0.00 0.00 0.00 174.94 174.99 2k5f s THR 70 N 2.61 5.34 0.09 2.92 2.01 -0.69 -0.70 115.64 127.22 2k5f s THR 70 Ca 0.45 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.91 2k5f s THR 70 Cb -0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2k5f s THR 70 CO 0.11 0.41 -0.10 0.68 -0.69 0.00 0.00 174.62 175.03 2k5f s VAL 71 N 0.43 0.91 -0.18 3.82 -7.23 0.57 -1.67 120.40 117.04 2k5f s VAL 71 Ca 0.14 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2k5f s VAL 71 Cb -0.12 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 2k5f s VAL 71 CO 0.02 -0.57 -0.12 -2.28 -0.31 0.00 0.00 175.10 171.84 2k5f s HIS 72 N -2.46 2.85 -0.04 2.82 2.46 0.05 -3.34 115.29 117.63 2k5f s HIS 72 Ca 0.05 -1.04 -0.30 0.00 0.47 0.00 0.00 55.06 54.24 2k5f s HIS 72 Cb -0.03 -1.97 -0.05 0.00 -0.13 0.00 0.00 32.58 30.40 2k5f s HIS 72 CO -0.00 -0.52 1.52 0.42 -2.47 0.00 0.00 174.74 173.69 2k5f s ILE 73 N 1.07 3.64 -1.25 0.89 -1.09 -1.26 -0.58 121.20 122.61 2k5f s ILE 73 Ca -0.00 0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 59.21 2k5f s ILE 73 Cb -0.15 -3.59 0.16 0.00 -1.58 0.00 0.00 42.46 37.31 2k5f s ILE 73 CO -0.03 -0.05 1.66 0.18 -1.23 0.00 0.00 174.94 175.47 2k5f n LEU 74 N 6.31 5.82 -2.86 2.97 4.77 -0.38 -4.69 117.00 128.94 2k5f n LEU 74 Ca 0.15 -4.49 -0.09 0.00 -0.03 0.00 0.00 56.01 51.56 2k5f n LEU 74 Cb 0.43 -1.57 -0.00 0.00 -2.33 0.00 0.00 43.42 39.94 2k5f n LEU 74 CO 0.60 0.96 0.06 0.00 -1.33 0.00 0.00 177.39 177.68 2k5f n ALA 75 N 5.14 -1.01 -1.74 -1.18 0.00 -1.26 -4.88 120.51 115.59 2k5f n ALA 75 Ca 0.39 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2k5f n ALA 75 Cb 0.40 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 2.63 -0.21 0.07 0.00 0.00 -1.26 -4.92 105.19 101.50 2k5f n GLY 76 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2k5f n GLY 76 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k5f h ASP 77 N 0.00 -0.01 -4.79 1.61 5.19 -1.99 -3.48 116.42 112.95 2k5f h ASP 77 Ca 0.00 -0.81 0.02 0.00 -0.62 0.00 0.00 57.03 55.62 2k5f h ASP 77 Cb 1.12 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.48 2k5f h ASP 77 CO 0.00 0.83 0.33 -0.70 -3.12 0.00 0.00 179.24 176.58 2k5f s GLU 78 N -2.72 1.02 0.00 3.56 -6.30 -1.26 -5.13 118.70 107.87 2k5f s GLU 78 Ca -0.17 -0.20 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 2k5f s GLU 78 Cb -0.02 0.47 0.00 0.00 0.00 0.00 0.00 34.13 34.59 2k5f s GLU 78 CO 0.65 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2k5f n GLY 79 N 0.06 -1.17 3.77 -1.50 0.00 -1.26 -5.01 105.19 100.08 2k5f n GLY 79 Ca -0.14 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 3.08 -0.20 1.61 -3.43 -1.26 -4.92 115.29 110.17 2k5f s HIS 80 Ca 0.00 1.55 -0.29 0.00 -0.80 0.00 0.00 55.06 55.52 2k5f s HIS 80 Cb 0.00 -3.42 -0.03 0.00 -1.43 0.00 0.00 32.58 27.70 2k5f s HIS 80 CO 0.00 -1.35 1.64 -1.25 -2.00 0.00 0.00 174.74 171.78 2k5f s PRO 81 N -2.22 3.83 -0.39 -0.38 0.04 -1.26 -4.92 135.00 129.69 2k5f s PRO 81 Ca 0.56 1.74 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2k5f s PRO 81 Cb -0.32 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 2k5f s PRO 81 CO 0.40 -1.26 2.08 -1.01 0.04 0.00 0.00 177.00 177.25 2k5f s HIS 82 N 5.13 1.42 0.00 0.56 3.76 -1.26 -4.67 115.29 120.23 2k5f s HIS 82 Ca 0.72 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 2k5f s HIS 82 Cb -0.26 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2k5f s HIS 82 CO 0.29 -3.03 0.00 0.41 -0.85 0.00 0.00 174.74 171.56 2k5f n GLY 83 N 5.71 1.99 3.64 -2.22 0.00 -1.26 -5.18 105.19 107.87 2k5f n GLY 83 Ca 0.28 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 2.07 -0.16 -0.28 1.61 -0.11 -1.26 -5.04 118.94 115.77 2k5f s TRP 84 Ca 0.00 0.35 -0.30 0.00 1.22 0.00 0.00 56.10 57.37 2k5f s TRP 84 Cb 0.00 0.46 -0.07 0.00 -1.50 0.00 0.00 33.47 32.36 2k5f s TRP 84 CO 0.00 -0.10 2.24 -0.35 -4.62 0.00 0.00 176.95 174.11 2k5f n PRO 85 N 1.29 1.64 0.00 5.86 -0.04 -1.26 -3.09 135.00 139.40 2k5f n PRO 85 Ca -0.08 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2k5f n PRO 85 Cb 0.57 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 2k5f n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5f n GLY 86 N 6.01 2.02 2.44 0.55 0.00 -1.26 -4.77 105.19 110.18 2k5f n GLY 86 Ca 0.34 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2k5f n GLY 86 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k5f n PHE 87 N 0.00 -0.16 -2.22 1.61 7.35 -1.18 -3.83 117.46 119.03 2k5f n PHE 87 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2k5f n PHE 87 Cb 0.00 -2.92 -0.01 0.00 0.35 0.00 0.00 39.48 36.90 2k5f n PHE 87 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2k5f n ARG 88 N -2.54 -2.27 -1.76 -4.13 0.63 -1.26 -5.04 116.66 100.30 2k5f n ARG 88 Ca -0.17 1.98 -0.29 0.00 -0.92 0.00 0.00 57.85 58.45 2k5f n ARG 88 Cb 0.56 -3.61 0.10 0.00 0.45 0.00 0.00 32.46 29.96 2k5f n ARG 88 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2k5f s ARG 89 N -0.95 1.71 -0.90 -0.14 0.52 -1.25 -4.96 118.95 112.98 2k5f s ARG 89 Ca -0.04 0.21 -0.22 0.00 -0.52 0.00 0.00 55.73 55.16 2k5f s ARG 89 Cb 0.00 -1.91 0.08 0.00 0.52 0.00 0.00 34.95 33.64 2k5f s ARG 89 CO 0.48 -1.79 1.25 1.03 0.02 0.00 0.00 175.30 176.28 2k5f s ARG 90 N -5.45 3.46 -0.48 3.54 3.00 -1.26 -4.96 118.95 116.81 2k5f s ARG 90 Ca 0.62 -1.16 -0.12 0.00 0.00 0.00 0.00 55.73 55.07 2k5f s ARG 90 Cb -0.12 -4.88 0.10 0.00 0.00 0.00 0.00 34.95 30.05 2k5f s ARG 90 CO 0.51 -2.00 0.38 -1.58 0.00 0.00 0.00 175.30 172.61 2k5f s HIS 91 N 4.21 3.32 0.18 -0.53 2.46 -1.26 -4.75 115.29 118.91 2k5f s HIS 91 Ca 0.37 -1.42 0.00 0.00 0.47 0.00 0.00 55.06 54.47 2k5f s HIS 91 Cb -0.05 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.00 2k5f s HIS 91 CO -0.03 -0.93 0.00 0.54 -2.47 0.00 0.00 174.74 171.85 2k5f n ARG 92 N 5.07 0.00 -2.53 2.88 1.74 -1.26 -5.13 116.66 117.43 2k5f n ARG 92 Ca -0.11 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.93 2k5f n ARG 92 Cb 0.42 -0.09 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 2k5f n ARG 92 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k5f n PHE 93 N -3.21 -4.07 -3.59 -1.55 3.72 -1.26 -5.10 117.46 102.41 2k5f n PHE 93 Ca 0.00 2.25 -0.08 0.00 -0.05 0.00 0.00 57.45 59.57 2k5f n PHE 93 Cb 0.03 -3.77 -0.05 0.00 -0.94 0.00 0.00 39.48 34.75 2k5f n PHE 93 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k5f s GLY 94 N -0.82 -0.21 0.26 1.37 0.00 -1.26 -5.16 107.32 101.51 2k5f s GLY 94 Ca -0.21 2.11 0.00 0.00 0.00 0.00 0.00 44.72 46.62 2k5f s GLY 94 CO 0.74 0.98 0.00 0.28 0.00 0.00 0.00 173.10 175.09 2k5f n LYS 95 N 0.58 -1.49 -2.49 2.90 4.76 -1.26 -5.02 118.16 116.15 2k5f n LYS 95 Ca -0.07 1.19 -0.01 0.00 -2.87 0.00 0.00 58.31 56.54 2k5f n LYS 95 Cb 0.58 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2k5f n LYS 95 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2k5f n ARG 96 N -3.14 -0.98 -3.72 1.97 0.63 -1.26 -5.08 116.66 105.08 2k5f n ARG 96 Ca -0.04 1.22 -0.12 0.00 -0.92 0.00 0.00 57.85 57.99 2k5f n ARG 96 Cb 0.31 -4.26 -0.13 0.00 0.45 0.00 0.00 32.46 28.83 2k5f n ARG 96 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k5f s ALA 97 N -2.83 -0.58 -2.05 5.13 0.00 -1.26 -5.04 121.76 115.13 2k5f s ALA 97 Ca 0.03 1.02 0.21 0.00 0.00 0.00 0.00 51.96 53.22 2k5f s ALA 97 Cb -0.01 -0.69 0.50 0.00 0.00 0.00 0.00 23.12 22.93 2k5f s ALA 97 CO 0.49 -0.25 1.43 1.28 0.00 0.00 0.00 175.76 178.71 2k5f n LEU 98 N 4.35 3.60 0.00 0.00 4.77 -1.26 -5.07 117.00 123.38 2k5f n LEU 98 Ca -0.23 -1.76 0.01 0.00 -0.03 0.00 0.00 56.01 53.99 2k5f n LEU 98 Cb 0.53 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2k5f n LEU 98 CO 0.13 0.84 -0.01 1.21 -1.33 0.00 0.00 177.39 178.23 2k5f n GLU 99 N 1.44 -0.16 -3.96 3.23 2.13 -1.26 -4.67 120.64 117.39 2k5f n GLU 99 Ca 0.21 0.10 -0.32 0.00 0.66 0.00 0.00 57.16 57.81 2k5f n GLU 99 Cb 0.59 -0.19 -0.14 0.00 0.27 0.00 0.00 31.44 31.96 2k5f n GLU 99 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2k5f s HIS 100 N -0.15 3.71 0.00 4.31 3.76 -1.26 -4.96 115.29 120.71 2k5f s HIS 100 Ca 0.00 -2.84 0.00 0.00 -0.15 0.00 0.00 55.06 52.07 2k5f s HIS 100 Cb 0.00 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.70 2k5f s HIS 100 CO 0.00 -0.95 0.00 0.72 -0.85 0.00 0.00 174.74 173.66 2k5f n HIS 101 N 4.34 0.00 -4.67 1.40 -0.00 -1.26 -5.10 115.22 109.93 2k5f n HIS 101 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.75 2k5f n HIS 101 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.40 2k5f n HIS 101 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5f n HIS 102 N -2.11 -2.06 -3.98 4.41 8.25 -1.26 -4.69 115.22 113.78 2k5f n HIS 102 Ca 0.00 0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 2k5f n HIS 102 Cb 0.00 0.02 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 2k5f n HIS 102 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5f s HIS 103 N -0.16 2.50 0.00 4.41 2.46 -1.26 -5.04 115.29 118.20 2k5f s HIS 103 Ca 0.00 -1.73 0.00 0.00 0.47 0.00 0.00 55.06 53.80 2k5f s HIS 103 Cb 0.00 -1.65 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 2k5f s HIS 103 CO 0.00 -0.77 0.00 0.72 -2.47 0.00 0.00 174.74 172.22 2k5f n HIS 104 N 4.65 0.00 -0.33 3.88 8.25 -1.26 -5.35 115.22 125.06 2k5f n HIS 104 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2k5f n HIS 104 Cb 0.45 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2k5f n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70