#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owa n GLU 2 N 0.00 -1.55 -2.58 0.03 1.02 -1.26 -4.77 120.64 111.53 1owa n GLU 2 Ca 0.00 1.02 -0.34 0.00 -0.02 0.00 0.00 57.16 57.82 1owa n GLU 2 Cb 0.00 -1.89 -0.04 0.00 -0.02 0.00 0.00 31.44 29.49 1owa n GLU 2 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1owa s GLN 3 N -1.19 3.86 0.36 3.49 0.74 -1.26 -5.04 119.66 120.61 1owa s GLN 3 Ca 0.00 1.33 -0.15 0.00 0.05 0.00 0.00 55.36 56.60 1owa s GLN 3 Cb 0.00 -2.11 -0.09 0.00 1.10 0.00 0.00 33.01 31.91 1owa s GLN 3 CO 0.00 -0.38 0.77 -0.06 -0.55 0.00 0.00 175.29 175.08 1owa s PHE 4 N -2.00 3.39 0.33 1.67 0.40 -1.26 -5.02 117.98 115.49 1owa s PHE 4 Ca 0.67 1.23 -0.29 0.00 -0.60 0.00 0.00 56.93 57.93 1owa s PHE 4 Cb -0.15 -2.56 -0.11 0.00 0.51 0.00 0.00 43.02 40.71 1owa s PHE 4 CO 0.19 0.01 1.55 -2.14 0.70 0.00 0.00 175.22 175.53 1owa s PRO 5 N -3.23 4.11 0.12 0.24 0.02 -1.26 -5.01 135.00 130.00 1owa s PRO 5 Ca 0.55 2.58 -0.24 0.00 0.02 0.00 0.00 61.00 63.91 1owa s PRO 5 Cb -0.10 -3.00 0.08 0.00 0.02 0.00 0.00 34.50 31.50 1owa s PRO 5 CO 0.20 -0.60 0.66 -1.59 -0.33 0.00 0.00 177.00 175.35 1owa s LYS 6 N -1.23 1.18 0.40 5.54 -2.85 -1.26 -5.15 119.74 116.37 1owa s LYS 6 Ca 0.59 -0.44 -0.26 0.00 -1.00 0.00 0.00 55.97 54.86 1owa s LYS 6 Cb -0.47 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 35.75 1owa s LYS 6 CO 0.55 -0.52 1.29 -1.21 0.10 0.00 0.00 175.35 175.57 1owa s GLU 7 N -3.61 4.00 0.14 1.78 2.02 -1.26 -4.97 118.70 116.80 1owa s GLU 7 Ca 0.02 2.14 -0.30 0.00 0.02 0.00 0.00 54.97 56.85 1owa s GLU 7 Cb -0.01 -2.77 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 1owa s GLU 7 CO -0.12 -0.46 1.06 0.99 0.02 0.00 0.00 175.26 176.75 1owa s THR 8 N -1.26 4.10 0.06 3.63 2.01 -1.26 -5.02 115.64 117.90 1owa s THR 8 Ca 0.56 1.76 -0.25 0.00 0.31 0.00 0.00 61.69 64.08 1owa s THR 8 Cb -0.38 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 67.95 1owa s THR 8 CO 0.48 0.28 0.76 0.68 -0.69 0.00 0.00 174.62 176.13 1owa s VAL 9 N -0.04 4.69 0.25 3.82 -7.23 -1.26 -5.04 120.40 115.59 1owa s VAL 9 Ca 0.49 1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 61.98 1owa s VAL 9 Cb -0.27 -4.11 -0.09 0.00 0.56 0.00 0.00 36.38 32.47 1owa s VAL 9 CO 0.33 0.39 1.02 0.68 -0.31 0.00 0.00 175.10 177.21 1owa s VAL 10 N -0.22 3.81 0.25 1.32 -7.23 -1.26 -4.56 120.40 112.51 1owa s VAL 10 Ca 0.38 1.80 0.00 0.00 -1.81 0.00 0.00 61.98 62.35 1owa s VAL 10 Cb -0.21 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.59 1owa s VAL 10 CO 0.23 0.42 0.00 -0.62 -0.31 0.00 0.00 175.10 174.82 1owa n GLU 11 N 1.43 -2.14 -1.39 4.82 1.02 -1.26 -4.82 120.64 118.31 1owa n GLU 11 Ca -0.01 1.60 -0.12 0.00 -0.02 0.00 0.00 57.16 58.61 1owa n GLU 11 Cb 0.46 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 1owa n GLU 11 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1owa n SER 12 N -1.09 -4.45 0.00 1.62 7.64 -1.26 -4.87 113.62 111.21 1owa n SER 12 Ca 0.00 0.29 0.14 0.00 1.01 0.00 0.00 58.87 60.31 1owa n SER 12 Cb 0.03 -3.05 0.67 0.00 -1.01 0.00 0.00 64.21 60.84 1owa n SER 12 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1owa n SER 13 N 0.01 0.00 0.00 6.43 2.88 -1.26 -4.87 113.62 116.81 1owa n SER 13 Ca -0.12 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1owa n SER 13 Cb 0.41 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1owa n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1owa n GLY 14 N 1.42 1.04 3.70 0.46 0.00 -1.26 -5.15 105.19 105.40 1owa n GLY 14 Ca 0.10 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1owa n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1owa s PRO 15 N 0.00 1.66 -0.13 1.61 0.04 -1.26 -4.94 135.00 131.98 1owa s PRO 15 Ca 0.00 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1owa s PRO 15 Cb 0.00 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1owa s PRO 15 CO 0.00 -2.19 1.11 0.15 0.04 0.00 0.00 177.00 176.10 1owa s LYS 16 N -4.16 4.34 -0.38 4.56 1.02 -1.26 -4.66 119.74 119.20 1owa s LYS 16 Ca 0.73 1.50 -0.27 0.00 0.02 0.00 0.00 55.97 57.95 1owa s LYS 16 Cb -0.28 -3.60 0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1owa s LYS 16 CO 0.51 -0.48 1.01 0.08 -0.92 0.00 0.00 175.35 175.55 1owa s VAL 17 N 2.53 4.48 -0.10 3.17 1.01 -1.26 -5.01 120.40 125.23 1owa s VAL 17 Ca 0.50 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 1owa s VAL 17 Cb -0.20 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1owa s VAL 17 CO 0.16 -0.63 1.01 -0.76 0.00 0.00 0.00 175.10 174.88 1owa s LEU 18 N 3.73 4.25 -0.25 3.92 1.43 -1.26 -5.01 118.68 125.49 1owa s LEU 18 Ca 0.42 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 55.08 1owa s LEU 18 Cb -0.11 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1owa s LEU 18 CO 0.21 -0.44 -0.08 -1.61 0.23 0.00 0.00 176.35 174.66 1owa s GLU 19 N 1.96 1.94 0.25 1.70 2.02 -1.26 -5.02 118.70 120.29 1owa s GLU 19 Ca 0.48 -1.23 -0.07 0.00 0.02 0.00 0.00 54.97 54.18 1owa s GLU 19 Cb -0.18 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 1owa s GLU 19 CO 0.18 -0.60 0.54 0.99 0.02 0.00 0.00 175.26 176.39 1owa s THR 20 N 1.22 5.00 0.09 3.63 2.01 -1.26 -4.89 115.64 121.43 1owa s THR 20 Ca -0.07 0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1owa s THR 20 Cb -0.19 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 1owa s THR 20 CO -0.06 -0.20 1.62 0.00 -0.69 0.00 0.00 174.62 175.30 1owa h ALA 21 N 2.11 0.22 -0.23 7.40 0.00 -1.99 2.35 119.26 129.11 1owa h ALA 21 Ca -0.47 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 1owa h ALA 21 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1owa h ALA 21 CO 0.68 -0.19 -0.47 1.05 0.00 0.00 0.00 179.25 180.32 1owa h GLU 22 N 0.12 0.73 -0.21 0.00 4.11 -1.96 1.38 114.58 118.76 1owa h GLU 22 Ca 0.06 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1owa h GLU 22 Cb 0.18 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1owa h GLU 22 CO -0.00 1.10 0.13 1.49 0.07 0.00 0.00 179.01 181.80 1owa h GLU 23 N 0.46 0.28 -0.36 1.06 4.81 -1.87 1.28 114.58 120.23 1owa h GLU 23 Ca 0.01 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1owa h GLU 23 Cb 1.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1owa h GLU 23 CO 0.10 0.21 -0.28 0.97 -0.73 0.00 0.00 179.01 179.28 1owa h ILE 24 N 0.27 1.28 -0.79 2.32 6.09 0.40 -1.33 117.51 125.75 1owa h ILE 24 Ca 0.08 -1.45 -0.05 0.00 -1.37 0.00 0.00 64.86 62.07 1owa h ILE 24 Cb -0.00 1.40 -0.03 0.00 0.47 0.00 0.00 36.82 38.65 1owa h ILE 24 CO -0.02 0.48 0.30 1.56 -3.07 0.00 0.00 178.15 177.41 1owa h GLN 25 N 0.63 1.19 -0.01 2.19 4.20 0.23 1.12 115.11 124.67 1owa h GLN 25 Ca 0.07 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1owa h GLN 25 Cb 0.86 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1owa h GLN 25 CO 0.07 0.97 -0.00 0.93 -0.67 0.00 0.00 178.83 180.14 1owa h GLU 26 N 1.16 0.01 -0.58 1.46 5.08 0.17 -2.01 114.58 119.86 1owa h GLU 26 Ca 0.26 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1owa h GLU 26 Cb 0.23 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1owa h GLU 26 CO -0.02 0.33 -0.06 0.00 -1.00 0.00 0.00 179.01 178.26 1owa h ARG 27 N -0.31 1.07 -0.95 2.33 3.08 -1.11 -2.94 114.38 115.54 1owa h ARG 27 Ca 0.00 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.69 1owa h ARG 27 Cb 0.32 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1owa h ARG 27 CO 0.00 1.07 0.62 0.07 -1.07 0.00 0.00 179.97 180.66 1owa h ARG 28 N 0.96 1.26 -0.88 0.04 0.11 0.14 0.11 114.38 116.11 1owa h ARG 28 Ca 0.16 -0.08 0.01 0.00 0.10 0.00 0.00 59.98 60.16 1owa h ARG 28 Cb 0.63 -0.28 -0.04 0.00 1.11 0.00 0.00 29.97 31.38 1owa h ARG 28 CO 0.04 0.84 0.58 1.96 0.10 0.00 0.00 179.97 183.50 1owa h GLN 29 N 1.30 1.16 -0.28 0.08 4.20 -1.19 0.15 115.11 120.52 1owa h GLN 29 Ca 0.35 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.86 1owa h GLN 29 Cb -0.13 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.38 1owa h GLN 29 CO -0.07 0.76 -0.31 0.93 -0.67 0.00 0.00 178.83 179.47 1owa h GLU 30 N 1.19 0.71 -0.76 1.46 5.08 -1.25 -2.74 114.58 118.28 1owa h GLU 30 Ca 0.32 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1owa h GLU 30 Cb -0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1owa h GLU 30 CO -0.07 1.01 0.50 0.28 -1.00 0.00 0.00 179.01 179.73 1owa h VAL 31 N 0.45 1.20 -0.06 3.13 2.07 -0.29 0.15 116.25 122.90 1owa h VAL 31 Ca 0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1owa h VAL 31 Cb 0.89 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1owa h VAL 31 CO 0.08 0.19 0.04 0.25 0.02 0.00 0.00 177.57 178.14 1owa h LEU 32 N 1.03 0.06 -0.71 2.57 5.85 -0.66 0.17 115.31 123.62 1owa h LEU 32 Ca 0.28 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1owa h LEU 32 Cb -0.12 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1owa h LEU 32 CO -0.06 0.05 0.35 0.74 -0.34 0.00 0.00 178.44 179.18 1owa h THR 33 N 0.07 1.23 -0.74 1.05 2.02 -1.23 -2.52 112.91 112.80 1owa h THR 33 Ca 0.02 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1owa h THR 33 Cb -0.01 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1owa h THR 33 CO -0.01 0.26 0.36 -0.09 0.37 0.00 0.00 175.52 176.42 1owa h ARG 34 N 0.99 1.07 -0.86 6.66 2.43 -0.61 -2.67 114.38 121.38 1owa h ARG 34 Ca 0.25 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1owa h ARG 34 Cb 0.10 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1owa h ARG 34 CO -0.03 0.83 0.57 1.88 -1.51 0.00 0.00 179.97 181.71 1owa h TYR 35 N 1.04 1.08 -0.89 2.20 -1.99 -0.27 -2.12 116.97 116.02 1owa h TYR 35 Ca 0.25 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.99 1owa h TYR 35 Cb 0.12 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 38.44 1owa h TYR 35 CO 0.01 0.68 0.47 1.96 -0.00 0.00 0.00 178.16 181.27 1owa h GLN 36 N 1.16 1.26 -0.85 4.88 4.20 -1.17 -1.09 115.11 123.49 1owa h GLN 36 Ca 0.31 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1owa h GLN 36 Cb -0.13 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.37 1owa h GLN 36 CO -0.07 0.93 0.41 0.77 -0.67 0.00 0.00 178.83 180.20 1owa h SER 37 N 1.25 1.12 -0.09 1.46 0.02 -1.08 1.08 113.55 117.31 1owa h SER 37 Ca 0.31 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1owa h SER 37 Cb 0.06 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1owa h SER 37 CO -0.05 0.95 0.01 -0.26 -1.14 0.00 0.00 176.83 176.34 1owa h PHE 38 N 1.22 0.17 -0.98 3.45 0.04 -0.95 0.16 116.94 120.04 1owa h PHE 38 Ca 0.29 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1owa h PHE 38 Cb 0.12 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.18 1owa h PHE 38 CO 0.02 0.40 0.62 -0.22 -0.60 0.00 0.00 178.31 178.52 1owa h LYS 39 N -0.10 1.31 -0.55 1.51 3.64 -0.94 -1.45 116.57 119.99 1owa h LYS 39 Ca 0.03 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1owa h LYS 39 Cb 0.32 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1owa h LYS 39 CO 0.00 0.89 0.36 1.49 -2.27 0.00 0.00 179.45 179.93 1owa h GLU 40 N 1.34 0.73 -0.80 1.90 4.81 0.17 0.14 114.58 122.86 1owa h GLU 40 Ca 0.36 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1owa h GLU 40 Cb -0.11 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.07 1owa h GLU 40 CO -0.07 0.48 0.32 -0.09 -0.73 0.00 0.00 179.01 178.92 1owa h ARG 41 N 0.75 1.20 -0.26 1.92 2.43 -0.04 -1.36 114.38 119.02 1owa h ARG 41 Ca 0.20 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1owa h ARG 41 Cb -0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1owa h ARG 41 CO -0.04 0.97 -0.20 0.28 -1.51 0.00 0.00 179.97 179.47 1owa h VAL 42 N 1.17 1.31 -0.31 0.20 2.07 -0.83 -2.75 116.25 117.11 1owa h VAL 42 Ca 0.27 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1owa h VAL 42 Cb 0.21 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1owa h VAL 42 CO -0.02 0.42 0.21 0.00 0.02 0.00 0.00 177.57 178.19 1owa h ALA 43 N 0.70 0.40 -0.97 1.67 0.00 -0.56 -2.56 119.26 117.95 1owa h ALA 43 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1owa h ALA 43 Cb 0.74 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1owa h ALA 43 CO 0.05 -0.14 0.64 1.05 0.00 0.00 0.00 179.25 180.85 1owa h GLU 44 N 0.42 1.28 -1.00 0.00 4.11 -1.27 -2.20 114.58 115.92 1owa h GLU 44 Ca 0.12 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.47 1owa h GLU 44 Cb -0.05 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 28.87 1owa h GLU 44 CO -0.03 0.85 0.66 0.00 0.07 0.00 0.00 179.01 180.56 1owa h ARG 45 N 1.32 1.32 0.00 1.06 2.47 -1.19 -3.44 114.38 115.91 1owa h ARG 45 Ca 0.35 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1owa h ARG 45 Cb -0.15 -0.30 0.00 0.00 -1.65 0.00 0.00 29.97 27.88 1owa h ARG 45 CO -0.08 0.88 -0.00 0.41 0.56 0.00 0.00 179.97 181.74 1owa n GLY 46 N -1.37 1.64 3.65 0.04 0.00 -0.83 -5.04 105.19 103.29 1owa n GLY 46 Ca 0.12 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1owa n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1owa s GLN 47 N -2.13 4.18 0.29 1.61 0.00 -1.26 -4.91 119.66 117.44 1owa s GLN 47 Ca 0.01 1.52 -0.24 0.00 -0.00 0.00 0.00 55.36 56.65 1owa s GLN 47 Cb -0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 33.01 29.15 1owa s GLN 47 CO 0.00 -0.77 0.88 0.15 0.00 0.00 0.00 175.29 175.55 1owa s LYS 48 N 3.57 4.49 0.23 9.60 1.02 -1.26 -4.97 119.74 132.42 1owa s LYS 48 Ca 0.53 1.19 -0.00 0.00 0.02 0.00 0.00 55.97 57.71 1owa s LYS 48 Cb -0.19 -2.84 0.23 0.00 -0.52 0.00 0.00 37.83 34.50 1owa s LYS 48 CO 0.15 0.32 1.58 -0.07 -0.92 0.00 0.00 175.35 176.41 1owa h LEU 49 N 3.28 0.52 -1.12 3.17 4.07 -1.94 -3.02 115.31 120.27 1owa h LEU 49 Ca -0.47 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.21 1owa h LEU 49 Cb 1.19 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 1owa h LEU 49 CO 0.65 0.91 0.27 -0.33 -1.08 0.00 0.00 178.44 178.85 1owa h GLU 50 N 0.39 0.89 -6.85 1.13 4.39 -2.02 -3.43 114.58 109.08 1owa h GLU 50 Ca 0.02 -0.13 -0.48 0.00 0.34 0.00 0.00 59.36 59.12 1owa h GLU 50 Cb 0.96 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1owa h GLU 50 CO 0.08 0.71 0.35 -0.51 -1.16 0.00 0.00 179.01 178.49 1owa s ASP 51 N -6.50 7.39 0.87 1.42 1.01 -1.14 -5.04 116.67 114.68 1owa s ASP 51 Ca -0.10 1.89 -0.11 0.00 0.71 0.00 0.00 52.55 54.94 1owa s ASP 51 Cb 0.16 -2.59 0.12 0.00 1.01 0.00 0.00 42.92 41.62 1owa s ASP 51 CO 0.79 -0.03 1.09 -0.55 0.21 0.00 0.00 175.17 176.69 1owa s SER 52 N -1.47 3.66 0.46 0.27 0.15 -1.26 -4.82 113.70 110.69 1owa s SER 52 Ca 0.48 1.57 0.11 0.00 0.70 0.00 0.00 55.95 58.80 1owa s SER 52 Cb -0.21 -2.25 1.03 0.00 -1.71 0.00 0.00 66.02 62.88 1owa s SER 52 CO 0.27 -2.53 2.10 1.88 1.20 0.00 0.00 173.24 176.15 1owa h TYR 53 N -1.47 0.30 -0.97 3.44 -1.99 -1.95 -1.80 116.97 112.53 1owa h TYR 53 Ca -0.48 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.28 1owa h TYR 53 Cb 1.27 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 39.85 1owa h TYR 53 CO 0.46 0.19 0.64 0.45 -0.00 0.00 0.00 178.16 179.90 1owa h HIS 54 N 0.32 1.21 -0.59 4.88 3.86 -1.98 0.62 115.15 123.48 1owa h HIS 54 Ca 0.09 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1owa h HIS 54 Cb -0.03 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.00 1owa h HIS 54 CO 0.00 0.73 0.39 1.25 0.86 0.00 0.00 177.93 181.16 1owa h LEU 55 N 1.28 0.68 -1.14 2.43 6.46 -1.68 0.65 115.31 123.99 1owa h LEU 55 Ca 0.37 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1owa h LEU 55 Cb -0.08 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.65 1owa h LEU 55 CO -0.10 0.49 0.09 -0.61 -0.62 0.00 0.00 178.44 177.70 1owa h GLN 56 N 0.80 0.69 -0.63 1.25 4.15 -1.09 0.28 115.11 120.57 1owa h GLN 56 Ca 0.22 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1owa h GLN 56 Cb -0.09 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 1owa h GLN 56 CO -0.05 0.65 0.37 0.28 -1.93 0.00 0.00 178.83 178.15 1owa h VAL 57 N 0.67 1.19 -1.00 2.39 2.07 0.27 1.10 116.25 122.94 1owa h VAL 57 Ca 0.15 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1owa h VAL 57 Cb 0.28 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1owa h VAL 57 CO 0.00 0.20 0.66 0.15 0.02 0.00 0.00 177.57 178.61 1owa h PHE 58 N 0.86 1.27 -0.79 1.57 3.57 0.13 0.10 116.94 123.65 1owa h PHE 58 Ca 0.23 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1owa h PHE 58 Cb 0.01 -0.43 -0.03 0.00 2.79 0.00 0.00 35.95 38.28 1owa h PHE 58 CO -0.01 0.80 0.31 -0.22 -2.23 0.00 0.00 178.31 176.96 1owa h LYS 59 N 1.36 1.19 -0.92 1.11 3.64 0.21 -2.64 116.57 120.53 1owa h LYS 59 Ca 0.37 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1owa h LYS 59 Cb -0.15 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.43 1owa h LYS 59 CO -0.08 0.97 0.53 0.00 -2.27 0.00 0.00 179.45 178.60 1owa h ARG 60 N 1.16 1.27 -0.91 1.90 3.08 0.30 -2.21 114.38 118.96 1owa h ARG 60 Ca 0.26 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1owa h ARG 60 Cb 0.23 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1owa h ARG 60 CO -0.02 0.91 0.60 0.22 -1.07 0.00 0.00 179.97 180.62 1owa h ASP 61 N 1.28 1.05 -1.00 7.04 1.82 -0.83 -0.88 116.42 124.89 1owa h ASP 61 Ca 0.33 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1owa h ASP 61 Cb -0.01 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 39.69 1owa h ASP 61 CO -0.06 0.76 0.67 0.00 -1.61 0.00 0.00 179.24 179.00 1owa h ALA 62 N 1.43 1.28 -0.29 -0.78 0.00 -1.20 1.13 119.26 120.83 1owa h ALA 62 Ca 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1owa h ALA 62 Cb -0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.24 1owa h ALA 62 CO -0.07 0.65 -0.06 -0.44 0.00 0.00 0.00 179.25 179.33 1owa h ASP 63 N 1.35 0.54 -0.91 0.00 3.32 -1.14 0.14 116.42 119.72 1owa h ASP 63 Ca 0.37 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1owa h ASP 63 Cb -0.14 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1owa h ASP 63 CO -0.08 0.77 0.60 0.44 -1.72 0.00 0.00 179.24 179.25 1owa h ASP 64 N 0.31 1.04 -0.03 6.45 3.32 -0.43 0.81 116.42 127.88 1owa h ASP 64 Ca 0.07 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1owa h ASP 64 Cb 0.53 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1owa h ASP 64 CO 0.03 0.75 0.02 0.25 -1.72 0.00 0.00 179.24 178.57 1owa h LEU 65 N 1.22 0.04 -1.50 1.55 5.85 0.19 -0.11 115.31 122.55 1owa h LEU 65 Ca 0.33 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1owa h LEU 65 Cb -0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1owa h LEU 65 CO -0.07 0.03 0.01 1.23 -0.34 0.00 0.00 178.44 179.30 1owa h GLY 66 N 0.04 0.36 1.02 3.75 0.00 0.27 -1.65 103.07 106.86 1owa h GLY 66 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1owa h GLY 66 CO -0.00 0.17 0.66 0.50 0.00 0.00 0.00 176.54 177.87 1owa h LYS 67 N 0.33 1.32 -0.86 4.80 1.57 0.21 -1.73 116.57 122.21 1owa h LYS 67 Ca 0.08 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1owa h LYS 67 Cb 0.20 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1owa h LYS 67 CO 0.00 0.87 0.57 2.35 -0.57 0.00 0.00 179.45 182.67 1owa h TRP 68 N 1.36 1.09 -0.80 -1.35 7.01 -0.09 -0.84 115.95 122.32 1owa h TRP 68 Ca 0.37 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.34 1owa h TRP 68 Cb -0.16 -0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 26.50 1owa h TRP 68 CO 0.00 0.69 0.32 0.82 -2.79 0.00 0.00 178.44 177.48 1owa h ILE 69 N 1.17 1.26 -0.35 2.65 2.04 -1.27 -2.03 117.51 120.99 1owa h ILE 69 Ca 0.32 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1owa h ILE 69 Cb -0.13 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1owa h ILE 69 CO -0.07 0.34 0.22 0.24 0.00 0.00 0.00 178.15 178.89 1owa h MET 70 N 1.17 0.46 -0.02 2.37 2.86 -0.42 0.33 114.93 121.68 1owa h MET 70 Ca 0.27 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1owa h MET 70 Cb 0.22 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1owa h MET 70 CO -0.02 0.32 -0.00 1.49 1.06 0.00 0.00 176.91 179.75 1owa h GLU 71 N 0.48 0.03 -0.81 1.72 4.81 -0.49 0.12 114.58 120.44 1owa h GLU 71 Ca 0.13 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1owa h GLU 71 Cb -0.04 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1owa h GLU 71 CO -0.03 0.41 0.33 0.87 -0.73 0.00 0.00 179.01 179.86 1owa h LYS 72 N -0.35 1.21 -0.41 1.92 6.56 -1.01 0.12 116.57 124.62 1owa h LYS 72 Ca 0.00 -0.21 -0.15 0.00 -1.06 0.00 0.00 60.65 59.23 1owa h LYS 72 Cb 0.40 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1owa h LYS 72 CO 0.00 0.97 -0.32 -0.24 -2.06 0.00 0.00 179.45 177.80 1owa h VAL 73 N 1.18 1.27 -0.19 0.50 3.04 -0.27 0.25 116.25 122.03 1owa h VAL 73 Ca 0.27 -1.49 -0.02 0.00 -1.01 0.00 0.00 66.70 64.45 1owa h VAL 73 Cb 0.21 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1owa h VAL 73 CO -0.02 0.50 0.02 0.78 -1.01 0.00 0.00 177.57 177.84 1owa h ASN 74 N 0.76 0.30 -0.91 3.17 2.35 -0.54 1.01 115.58 121.73 1owa h ASN 74 Ca 0.08 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1owa h ASN 74 Cb 0.91 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 1owa h ASN 74 CO 0.08 0.50 0.50 -0.29 -1.65 0.00 0.00 177.43 176.57 1owa h ILE 75 N 0.09 1.26 -0.80 2.81 2.10 -0.95 0.84 117.51 122.86 1owa h ILE 75 Ca 0.06 -0.65 -0.01 0.00 1.08 0.00 0.00 64.86 65.34 1owa h ILE 75 Cb 0.34 0.03 -0.04 0.00 -1.09 0.00 0.00 36.82 36.06 1owa h ILE 75 CO 0.01 0.29 0.46 0.25 -1.08 0.00 0.00 178.15 178.07 1owa h LEU 76 N 1.27 0.98 -1.33 2.19 5.85 0.06 0.61 115.31 124.93 1owa h LEU 76 Ca 0.32 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1owa h LEU 76 Cb 0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1owa h LEU 76 CO -0.05 0.78 -0.33 0.74 -0.34 0.00 0.00 178.44 179.23 1owa h THR 77 N 1.10 1.17 -0.98 1.05 2.02 0.26 -2.84 112.91 114.70 1owa h THR 77 Ca 0.28 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1owa h THR 77 Cb 0.00 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 1owa h THR 77 CO -0.05 0.33 0.65 0.44 0.37 0.00 0.00 175.52 177.25 1owa h ASP 78 N 0.00 1.12 0.27 4.18 3.32 0.30 0.25 116.42 125.86 1owa h ASP 78 Ca -0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1owa h ASP 78 Cb 0.61 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1owa h ASP 78 CO 0.04 0.81 -0.14 0.11 -1.72 0.00 0.00 179.24 178.35 1owa h LYS 79 N 1.32 0.00 -0.81 3.56 1.79 -1.23 -2.23 116.57 118.97 1owa h LYS 79 Ca 0.36 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.79 1owa h LYS 79 Cb -0.15 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.46 1owa h LYS 79 CO -0.08 0.14 0.35 1.03 -1.08 0.00 0.00 179.45 179.81 1owa h SER 80 N 0.00 1.10 -0.08 0.86 0.87 -0.49 -2.75 113.55 113.07 1owa h SER 80 Ca -0.00 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1owa h SER 80 Cb 0.31 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1owa h SER 80 CO 0.02 0.96 -0.00 0.22 -0.53 0.00 0.00 176.83 177.50 1owa h TYR 81 N 1.18 -0.01 0.00 2.24 3.20 -1.02 -3.44 116.97 119.12 1owa h TYR 81 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1owa h TYR 81 Cb 0.18 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1owa h TYR 81 CO 0.02 -0.01 0.00 0.39 -1.64 0.00 0.00 178.16 176.92 1owa n GLU 82 N -5.11 0.00 -3.72 1.82 1.02 -1.18 -5.16 120.64 108.32 1owa n GLU 82 Ca -0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 1owa n GLU 82 Cb 0.06 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.40 1owa n GLU 82 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1owa s ASP 83 N 1.00 -0.26 1.26 1.62 1.47 -1.04 -4.99 116.67 115.72 1owa s ASP 83 Ca 0.00 0.15 -0.14 0.00 1.18 0.00 0.00 52.55 53.75 1owa s ASP 83 Cb 0.00 0.36 0.21 0.00 -0.34 0.00 0.00 42.92 43.15 1owa s ASP 83 CO 0.00 -0.50 0.50 -2.65 0.68 0.00 0.00 175.17 173.21 1owa n PRO 84 N 1.11 -3.49 -2.84 2.11 -0.02 -1.25 -4.64 135.00 125.98 1owa n PRO 84 Ca -0.21 -0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 60.03 1owa n PRO 84 Cb 0.57 -1.06 -0.06 0.00 -0.02 0.00 0.00 33.50 32.93 1owa n PRO 84 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1owa s THR 85 N -1.68 4.32 -0.00 3.45 -4.23 -1.26 -4.97 115.64 111.27 1owa s THR 85 Ca 0.38 1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 62.51 1owa s THR 85 Cb -0.06 -4.25 -0.03 0.00 1.34 0.00 0.00 72.50 69.49 1owa s THR 85 CO 0.32 0.45 1.04 0.20 -0.54 0.00 0.00 174.62 176.09 1owa s ASN 86 N -0.80 7.27 0.00 3.99 0.02 -1.26 -2.82 114.94 121.34 1owa s ASN 86 Ca 0.40 1.73 0.00 0.00 -1.02 0.00 0.00 52.86 53.98 1owa s ASN 86 Cb -0.24 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.46 1owa s ASN 86 CO 0.29 -0.35 0.00 2.30 0.02 0.00 0.00 177.10 179.36 1owa n ILE 87 N 4.02 0.00 -0.38 0.60 -5.35 -1.26 -0.76 119.36 116.24 1owa n ILE 87 Ca 0.07 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.53 1owa n ILE 87 Cb 0.49 0.00 0.11 0.00 -1.74 0.00 0.00 39.64 38.51 1owa n ILE 87 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1owa h GLN 88 N 0.00 1.32 -0.10 6.28 4.20 -2.00 -1.33 115.11 123.49 1owa h GLN 88 Ca 0.00 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1owa h GLN 88 Cb 0.00 -0.30 -0.00 0.00 0.30 0.00 0.00 27.48 27.48 1owa h GLN 88 CO 0.00 0.88 -0.10 0.78 -0.67 0.00 0.00 178.83 179.72 1owa h GLY 89 N 1.36 0.26 1.01 3.46 0.00 -1.21 -2.54 103.07 105.41 1owa h GLY 89 Ca 0.37 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1owa h GLY 89 CO -0.08 0.24 0.48 1.70 0.00 0.00 0.00 176.54 178.88 1owa h LYS 90 N -0.17 0.96 -1.00 4.80 3.11 -1.38 -1.91 116.57 120.98 1owa h LYS 90 Ca 0.02 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1owa h LYS 90 Cb 0.61 -0.21 -0.05 0.00 -1.00 0.00 0.00 32.23 31.58 1owa h LYS 90 CO 0.02 0.64 0.66 1.88 -2.81 0.00 0.00 179.45 179.85 1owa h TYR 91 N 0.99 1.26 -0.25 1.91 0.05 -1.26 -1.09 116.97 118.59 1owa h TYR 91 Ca 0.27 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 1owa h TYR 91 Cb -0.10 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 37.20 1owa h TYR 91 CO -0.02 0.80 0.12 0.37 -1.05 0.00 0.00 178.16 178.37 1owa h GLN 92 N 1.36 0.36 -0.14 4.88 4.15 -0.97 0.43 115.11 125.19 1owa h GLN 92 Ca 0.37 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1owa h GLN 92 Cb -0.15 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1owa h GLN 92 CO -0.08 0.37 0.09 -0.22 -1.93 0.00 0.00 178.83 177.06 1owa h LYS 93 N 0.27 0.18 -0.04 1.69 3.64 -0.95 0.52 116.57 121.88 1owa h LYS 93 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1owa h LYS 93 Cb 0.13 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1owa h LYS 93 CO -0.01 0.12 -0.00 1.25 -2.27 0.00 0.00 179.45 178.54 1owa h HIS 94 N 0.18 0.08 0.00 1.91 2.76 -1.09 -1.84 115.15 117.16 1owa h HIS 94 Ca 0.05 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1owa h HIS 94 Cb -0.02 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1owa h HIS 94 CO -0.07 0.38 -0.00 1.96 -1.30 0.00 0.00 177.93 178.89 1owa h GLN 95 N -0.24 -0.00 -0.57 5.26 4.20 -0.05 0.18 115.11 123.90 1owa h GLN 95 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1owa h GLN 95 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1owa h GLN 95 CO 0.00 0.21 0.36 0.77 -0.67 0.00 0.00 178.83 179.50 1owa h SER 96 N -0.21 0.67 0.90 1.46 0.02 -0.02 0.15 113.55 116.52 1owa h SER 96 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1owa h SER 96 Cb 0.21 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1owa h SER 96 CO 0.00 0.51 0.00 -0.07 -1.14 0.00 0.00 176.83 176.13 1owa h LEU 97 N 0.77 0.00 -0.37 5.07 4.07 -1.29 -1.98 115.31 121.58 1owa h LEU 97 Ca 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1owa h LEU 97 Cb -0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1owa h LEU 97 CO -0.04 0.00 0.09 -0.08 -1.08 0.00 0.00 178.44 177.33 1owa h GLU 98 N 0.00 0.60 -0.30 1.13 4.81 0.23 0.40 114.58 121.44 1owa h GLU 98 Ca 0.00 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 1owa h GLU 98 Cb 0.45 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1owa h GLU 98 CO 0.00 0.63 -0.39 0.00 -0.73 0.00 0.00 179.01 178.52 1owa h ALA 99 N 0.94 0.74 -0.85 2.92 0.00 -1.08 -2.76 119.26 119.16 1owa h ALA 99 Ca 0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1owa h ALA 99 Cb 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1owa h ALA 99 CO 0.00 0.66 0.40 0.93 0.00 0.00 0.00 179.25 181.24 1owa h GLU 100 N 0.59 1.23 -0.02 0.00 5.08 -0.86 0.79 114.58 121.39 1owa h GLU 100 Ca 0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1owa h GLU 100 Cb 0.94 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1owa h GLU 100 CO 0.09 0.95 0.01 0.28 -1.00 0.00 0.00 179.01 179.33 1owa h VAL 101 N 1.21 1.03 -0.81 3.13 2.07 -0.08 0.43 116.25 123.23 1owa h VAL 101 Ca 0.29 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 1owa h VAL 101 Cb 0.13 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1owa h VAL 101 CO -0.04 0.02 0.43 1.56 0.02 0.00 0.00 177.57 179.57 1owa h GLN 102 N -0.01 1.13 -0.09 1.57 4.20 -1.18 0.21 115.11 120.94 1owa h GLN 102 Ca 0.01 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1owa h GLN 102 Cb 0.02 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1owa h GLN 102 CO -0.00 0.83 0.04 1.15 -0.67 0.00 0.00 178.83 180.17 1owa h THR 103 N 1.13 1.14 -0.79 -0.54 2.02 0.16 -1.39 112.91 114.64 1owa h THR 103 Ca 0.28 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1owa h THR 103 Cb 0.04 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1owa h THR 103 CO -0.04 0.12 0.30 0.11 0.37 0.00 0.00 175.52 176.38 1owa h LYS 104 N -0.02 1.19 -0.99 6.66 1.79 0.08 -2.14 116.57 123.15 1owa h LYS 104 Ca 0.03 -0.23 0.03 0.00 -2.18 0.00 0.00 60.65 58.30 1owa h LYS 104 Cb 0.17 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.57 1owa h LYS 104 CO -0.00 0.98 0.65 0.66 -1.08 0.00 0.00 179.45 180.65 1owa h SER 105 N 1.16 1.10 -0.62 0.86 4.64 -0.75 0.20 113.55 120.13 1owa h SER 105 Ca 0.26 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1owa h SER 105 Cb 0.24 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1owa h SER 105 CO -0.02 0.76 0.01 0.03 -0.87 0.00 0.00 176.83 176.75 1owa h ARG 106 N 1.28 1.09 -0.07 4.77 3.08 -0.85 0.16 114.38 123.83 1owa h ARG 106 Ca 0.38 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1owa h ARG 106 Cb -0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1owa h ARG 106 CO -0.11 1.05 0.05 -0.07 -1.07 0.00 0.00 179.97 179.82 1owa h LEU 107 N 0.99 0.07 -0.64 3.04 3.38 -0.60 0.95 115.31 122.50 1owa h LEU 107 Ca 0.18 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1owa h LEU 107 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1owa h LEU 107 CO 0.03 0.05 -0.27 0.24 0.09 0.00 0.00 178.44 178.59 1owa h MET 108 N 0.09 0.78 -0.00 1.13 2.86 0.16 1.58 114.93 121.53 1owa h MET 108 Ca 0.03 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1owa h MET 108 Cb 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1owa h MET 108 CO -0.01 0.96 0.00 0.77 1.06 0.00 0.00 176.91 179.69 1owa h SER 109 N 0.67 0.01 -0.37 1.22 0.02 0.31 -2.24 113.55 113.17 1owa h SER 109 Ca 0.08 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1owa h SER 109 Cb 0.79 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1owa h SER 109 CO 0.07 0.26 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.66 1owa h GLU 110 N -0.25 0.76 -0.82 3.45 5.08 0.65 -2.60 114.58 120.86 1owa h GLU 110 Ca 0.00 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1owa h GLU 110 Cb 0.25 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1owa h GLU 110 CO 0.00 0.79 0.52 1.25 -1.00 0.00 0.00 179.01 180.56 1owa h LEU 111 N 0.71 0.84 -0.33 1.33 5.85 0.25 1.01 115.31 124.98 1owa h LEU 111 Ca 0.14 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1owa h LEU 111 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1owa h LEU 111 CO 0.02 0.57 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.15 1owa h GLU 112 N 0.99 0.73 -0.63 1.25 5.08 -1.24 -2.48 114.58 118.28 1owa h GLU 112 Ca 0.33 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1owa h GLU 112 Cb 0.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1owa h GLU 112 CO -0.13 0.96 0.42 -0.22 -1.00 0.00 0.00 179.01 179.04 1owa h LYS 113 N 0.51 0.83 -0.71 2.33 1.63 -0.97 -2.54 116.57 117.64 1owa h LYS 113 Ca 0.07 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1owa h LYS 113 Cb 0.77 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1owa h LYS 113 CO 0.06 0.55 0.46 1.15 -3.45 0.00 0.00 179.45 178.22 1owa h THR 114 N 0.86 1.19 -0.26 1.00 2.02 0.15 0.98 112.91 118.84 1owa h THR 114 Ca 0.23 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1owa h THR 114 Cb -0.10 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1owa h THR 114 CO -0.05 0.18 0.17 -0.09 0.37 0.00 0.00 175.52 176.10 1owa h ARG 115 N 0.96 0.34 -0.09 6.66 2.43 -1.29 -0.80 114.38 122.60 1owa h ARG 115 Ca 0.26 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1owa h ARG 115 Cb -0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1owa h ARG 115 CO -0.05 0.23 -0.12 0.93 -1.51 0.00 0.00 179.97 179.45 1owa h GLU 116 N 0.35 0.13 -1.00 0.20 5.08 -1.21 0.82 114.58 118.95 1owa h GLU 116 Ca 0.09 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1owa h GLU 116 Cb -0.03 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 1owa h GLU 116 CO -0.02 0.26 0.64 1.49 -1.00 0.00 0.00 179.01 180.39 1owa h GLU 117 N 0.13 1.10 0.00 2.33 4.81 0.25 -3.20 114.58 120.00 1owa h GLU 117 Ca 0.03 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.93 1owa h GLU 117 Cb 0.30 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1owa h GLU 117 CO 0.02 0.73 -1.97 0.54 -0.73 0.00 0.00 179.01 177.60 1owa n ARG 118 N -4.53 1.60 -3.43 1.92 1.74 -1.03 -4.98 116.66 107.95 1owa n ARG 118 Ca 0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.86 1owa n ARG 118 Cb 0.22 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 1owa n ARG 118 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1owa s PHE 119 N -2.34 3.75 0.00 -1.55 0.08 0.28 -4.94 117.98 113.26 1owa s PHE 119 Ca -0.08 1.08 0.03 0.00 0.12 0.00 0.00 56.93 58.08 1owa s PHE 119 Cb 0.04 -2.35 0.05 0.00 -0.57 0.00 0.00 43.02 40.19 1owa s PHE 119 CO 0.56 0.63 0.95 -2.37 -0.10 0.00 0.00 175.22 174.88 1owa n THR 120 N 1.79 0.00 0.00 0.64 5.66 -1.26 -4.24 114.28 116.87 1owa n THR 120 Ca -0.13 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1owa n THR 120 Cb 0.52 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 1owa n THR 120 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1owa n MET 121 N 0.06 0.00 -2.50 1.09 0.00 -1.26 -5.04 117.12 109.48 1owa n MET 121 Ca -0.19 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.11 1owa n MET 121 Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 33.22 33.72 1owa n MET 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1owa s GLY 122 N -1.50 1.02 0.16 -5.12 0.00 -1.26 -4.82 107.32 95.80 1owa s GLY 122 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 44.72 42.75 1owa s GLY 122 CO 0.00 2.77 1.55 0.45 0.00 0.00 0.00 173.10 177.87 1owa h HIS 123 N 10.19 1.15 -0.95 1.90 3.86 -2.01 -3.05 115.15 126.25 1owa h HIS 123 Ca 0.03 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1owa h HIS 123 Cb 1.03 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 29.18 1owa h HIS 123 CO 1.22 1.12 0.58 0.66 0.86 0.00 0.00 177.93 182.37 1owa h SER 124 N 0.86 1.14 -0.20 2.45 4.64 -2.02 -0.32 113.55 120.11 1owa h SER 124 Ca 0.11 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1owa h SER 124 Cb 0.81 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1owa h SER 124 CO 0.07 0.86 0.23 0.00 -0.87 0.00 0.00 176.83 177.12 1owa h ALA 125 N 1.33 1.80 -0.43 5.18 0.00 -1.94 0.16 119.26 125.36 1owa h ALA 125 Ca 0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1owa h ALA 125 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1owa h ALA 125 CO -0.07 -0.33 -0.11 0.45 0.00 0.00 0.00 179.25 179.20 1owa h HIS 126 N 0.00 0.94 -0.78 0.00 3.86 -1.08 -2.92 115.15 115.16 1owa h HIS 126 Ca 0.09 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1owa h HIS 126 Cb 0.55 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1owa h HIS 126 CO 0.00 0.95 0.49 0.93 0.86 0.00 0.00 177.93 181.15 1owa h GLU 127 N 0.66 1.05 -0.75 2.45 4.39 -0.68 -1.99 114.58 119.72 1owa h GLU 127 Ca 0.11 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1owa h GLU 127 Cb 0.64 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1owa h GLU 127 CO 0.04 0.73 0.34 0.93 -1.16 0.00 0.00 179.01 179.89 1owa h GLU 128 N 1.07 1.09 -0.42 2.33 4.39 -1.42 -1.77 114.58 119.86 1owa h GLU 128 Ca 0.28 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 1owa h GLU 128 Cb -0.07 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1owa h GLU 128 CO -0.06 0.87 -0.02 1.15 -1.16 0.00 0.00 179.01 179.80 1owa h THR 129 N 1.06 1.26 -0.91 1.13 2.02 -1.31 -2.16 112.91 114.01 1owa h THR 129 Ca 0.25 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.39 1owa h THR 129 Cb 0.15 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1owa h THR 129 CO -0.03 0.36 0.60 0.11 0.37 0.00 0.00 175.52 176.93 1owa h LYS 130 N 0.59 1.19 -0.42 6.66 1.57 -1.14 -1.60 116.57 123.42 1owa h LYS 130 Ca 0.12 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1owa h LYS 130 Cb 0.51 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1owa h LYS 130 CO 0.02 0.79 0.05 0.00 -0.57 0.00 0.00 179.45 179.74 1owa h ALA 131 N 1.33 0.56 -0.38 3.86 0.00 -1.18 0.10 119.26 123.55 1owa h ALA 131 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1owa h ALA 131 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1owa h ALA 131 CO -0.07 0.30 0.25 1.25 0.00 0.00 0.00 179.25 180.98 1owa h HIS 132 N 0.56 0.48 -0.46 0.00 -0.00 -1.03 -1.29 115.15 113.42 1owa h HIS 132 Ca 0.13 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.39 1owa h HIS 132 Cb 0.41 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1owa h HIS 132 CO 0.03 0.31 -0.19 0.82 -0.00 0.00 0.00 177.93 178.89 1owa h ILE 133 N 0.52 1.27 -0.20 6.26 2.04 -1.19 -2.14 117.51 124.08 1owa h ILE 133 Ca 0.14 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1owa h ILE 133 Cb -0.06 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1owa h ILE 133 CO -0.03 0.46 0.13 -0.08 0.00 0.00 0.00 178.15 178.63 1owa h GLU 134 N 0.80 0.26 -0.66 2.37 4.81 -0.40 0.72 114.58 122.47 1owa h GLU 134 Ca 0.11 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1owa h GLU 134 Cb 0.74 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1owa h GLU 134 CO 0.06 0.18 0.32 1.49 -0.73 0.00 0.00 179.01 180.32 1owa h GLU 135 N 0.26 0.95 -0.85 1.92 4.81 -1.21 -1.86 114.58 118.60 1owa h GLU 135 Ca 0.07 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1owa h GLU 135 Cb -0.03 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 1owa h GLU 135 CO -0.02 0.76 0.40 -0.07 -0.73 0.00 0.00 179.01 179.36 1owa h LEU 136 N 0.92 1.12 -0.92 1.64 3.38 -0.90 -2.53 115.31 118.01 1owa h LEU 136 Ca 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1owa h LEU 136 Cb 0.12 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1owa h LEU 136 CO -0.03 0.94 0.52 -0.09 0.09 0.00 0.00 178.44 179.87 1owa h ARG 137 N 1.22 1.27 -0.69 1.13 9.65 0.10 -0.65 114.38 126.40 1owa h ARG 137 Ca 0.29 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1owa h ARG 137 Cb 0.13 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 1owa h ARG 137 CO -0.04 0.91 0.45 1.25 2.80 0.00 0.00 179.97 185.35 1owa h HIS 138 N 1.28 0.89 -0.78 2.20 2.76 -0.93 0.44 115.15 121.01 1owa h HIS 138 Ca 0.32 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.45 1owa h HIS 138 Cb 0.00 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.63 1owa h HIS 138 CO 0.01 0.57 0.27 -0.07 -1.30 0.00 0.00 177.93 177.41 1owa h LEU 139 N 0.94 1.10 -1.01 0.26 3.38 -1.21 -2.43 115.31 116.35 1owa h LEU 139 Ca 0.25 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1owa h LEU 139 Cb -0.08 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.33 1owa h LEU 139 CO -0.05 1.00 0.67 -0.50 0.09 0.00 0.00 178.44 179.65 1owa h TRP 140 N 1.14 1.27 -0.96 1.13 4.06 -0.20 -2.24 115.95 120.15 1owa h TRP 140 Ca 0.25 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.24 1owa h TRP 140 Cb 0.27 -0.43 -0.05 0.00 -1.00 0.00 0.00 29.16 27.95 1owa h TRP 140 CO 0.02 0.80 0.63 0.22 -3.56 0.00 0.00 178.44 176.56 1owa h ASP 141 N 1.37 1.10 -0.44 -3.49 1.82 -0.45 -0.40 116.42 115.93 1owa h ASP 141 Ca 0.37 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1owa h ASP 141 Cb -0.16 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.55 1owa h ASP 141 CO -0.08 0.80 0.29 -0.07 -1.61 0.00 0.00 179.24 178.57 1owa h LEU 142 N 1.30 0.51 -1.01 2.28 3.38 -1.23 0.21 115.31 120.76 1owa h LEU 142 Ca 0.35 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1owa h LEU 142 Cb -0.15 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1owa h LEU 142 CO -0.08 0.37 0.66 0.25 0.09 0.00 0.00 178.44 179.74 1owa h LEU 143 N 0.59 1.16 -0.18 1.67 5.85 -1.05 0.90 115.31 124.25 1owa h LEU 143 Ca 0.16 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1owa h LEU 143 Cb -0.06 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1owa h LEU 143 CO -0.03 0.84 0.08 -0.07 -0.34 0.00 0.00 178.44 178.91 1owa h LEU 144 N 1.36 0.24 -1.01 2.25 3.38 -0.47 0.74 115.31 121.81 1owa h LEU 144 Ca 0.37 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1owa h LEU 144 Cb -0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1owa h LEU 144 CO -0.08 0.33 0.67 -0.08 0.09 0.00 0.00 178.44 179.36 1owa h GLU 145 N 0.14 1.32 -0.85 1.13 4.81 -0.35 0.39 114.58 121.17 1owa h GLU 145 Ca 0.06 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1owa h GLU 145 Cb 0.16 -0.30 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1owa h GLU 145 CO -0.01 0.87 0.47 -0.07 -0.73 0.00 0.00 179.01 179.55 1owa h LEU 146 N 1.36 1.06 -0.18 1.64 3.38 0.19 1.10 115.31 123.86 1owa h LEU 146 Ca 0.37 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1owa h LEU 146 Cb -0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.32 1owa h LEU 146 CO -0.08 0.86 -0.06 0.74 0.09 0.00 0.00 178.44 179.98 1owa h THR 147 N 1.19 1.30 -0.91 0.22 2.02 0.17 -1.15 112.91 115.74 1owa h THR 147 Ca 0.30 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1owa h THR 147 Cb 0.03 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1owa h THR 147 CO -0.05 0.32 0.57 -0.07 0.37 0.00 0.00 175.52 176.66 1owa h LEU 148 N 0.07 1.08 -0.43 2.58 3.38 0.07 -1.86 115.31 120.21 1owa h LEU 148 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1owa h LEU 148 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1owa h LEU 148 CO 0.02 0.81 0.28 -0.08 0.09 0.00 0.00 178.44 179.57 1owa h GLU 149 N 1.25 0.56 -0.60 1.13 4.81 0.16 -1.62 114.58 120.28 1owa h GLU 149 Ca 0.33 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1owa h GLU 149 Cb -0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1owa h GLU 149 CO -0.06 0.38 0.01 1.57 -0.73 0.00 0.00 179.01 180.17 1owa h LYS 150 N 0.58 1.05 -0.90 1.92 2.10 -0.82 -2.66 116.57 117.84 1owa h LYS 150 Ca 0.16 -0.33 -0.02 0.00 -2.00 0.00 0.00 60.65 58.46 1owa h LYS 150 Cb -0.06 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 31.13 1owa h LYS 150 CO -0.03 1.02 0.49 0.78 -2.00 0.00 0.00 179.45 179.71 1owa h GLY 151 N 1.00 1.34 0.98 0.07 0.00 -0.99 0.39 103.07 105.86 1owa h GLY 151 Ca 0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1owa h GLY 151 CO 0.03 0.58 0.24 -0.55 0.00 0.00 0.00 176.54 176.84 1owa h ASP 152 N 1.26 0.74 0.94 0.19 3.32 -1.16 -0.47 116.42 121.23 1owa h ASP 152 Ca 0.32 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1owa h ASP 152 Cb 0.02 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1owa h ASP 152 CO -0.05 0.68 -0.06 1.56 -1.72 0.00 0.00 179.24 179.65 1owa h GLN 153 N 0.74 0.00 0.00 3.56 1.08 -1.08 -2.59 115.11 116.81 1owa h GLN 153 Ca 0.19 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.33 1owa h GLN 153 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1owa h GLN 153 CO -0.02 0.06 -0.25 1.25 -0.95 0.00 0.00 178.83 178.92 1owa h LEU 154 N 0.00 0.00 -9.77 1.46 5.85 0.15 -3.43 115.31 109.56 1owa h LEU 154 Ca -0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1owa h LEU 154 Cb 0.54 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.61 1owa h LEU 154 CO 0.01 0.25 0.62 -0.76 -0.34 0.00 0.00 178.44 178.22 1owa s LEU 155 N -7.33 4.44 0.00 2.25 1.43 -0.98 -4.96 118.68 113.53 1owa s LEU 155 Ca -0.02 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1owa s LEU 155 Cb 0.12 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1owa s LEU 155 CO 0.65 -0.46 0.00 0.54 0.23 0.00 0.00 176.35 177.30