#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 0.01 -2.71 2.12 1.02 -1.26 -4.85 120.64 114.97 1owa n GLU 2 Ca 0.00 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1owa n GLU 2 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1owa n GLU 2 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1owa s GLN 3 N -3.00 4.34 0.15 3.49 -2.07 -1.26 -5.04 119.66 116.27 1owa s GLN 3 Ca 0.14 1.33 -0.22 0.00 -1.82 0.00 0.00 55.36 54.78 1owa s GLN 3 Cb 0.19 -2.53 -0.08 0.00 -1.09 0.00 0.00 33.01 29.50 1owa s GLN 3 CO 0.55 0.05 0.71 -0.06 -1.32 0.00 0.00 175.29 175.21 1owa s PHE 4 N -1.79 3.82 0.21 9.60 0.08 -1.26 -5.03 117.98 123.62 1owa s PHE 4 Ca 0.56 1.48 -0.31 0.00 0.12 0.00 0.00 56.93 58.78 1owa s PHE 4 Cb -0.17 -2.66 -0.10 0.00 -0.57 0.00 0.00 43.02 39.52 1owa s PHE 4 CO 0.22 0.50 1.49 -1.25 -0.10 0.00 0.00 175.22 176.07 1owa s PRO 5 N -1.33 4.25 -0.27 0.24 0.04 -1.26 -5.00 135.00 131.67 1owa s PRO 5 Ca 0.36 2.32 -0.25 0.00 0.04 0.00 0.00 61.00 63.46 1owa s PRO 5 Cb -0.21 -3.13 0.12 0.00 0.04 0.00 0.00 34.50 31.32 1owa s PRO 5 CO 0.23 -0.49 1.00 0.21 0.04 0.00 0.00 177.00 177.99 1owa s LYS 6 N 0.24 0.54 0.11 4.56 2.20 -1.26 -5.14 119.74 120.98 1owa s LYS 6 Ca 0.63 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 1owa s LYS 6 Cb -0.42 0.26 -0.07 0.00 -1.51 0.00 0.00 37.83 36.09 1owa s LYS 6 CO 0.38 -0.08 1.20 -1.21 -0.36 0.00 0.00 175.35 175.29 1owa s GLU 7 N 0.12 4.45 0.12 4.03 2.02 -1.26 -5.00 118.70 123.18 1owa s GLU 7 Ca 0.02 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.53 1owa s GLU 7 Cb -0.05 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.82 1owa s GLU 7 CO -0.05 -0.20 0.96 0.99 0.02 0.00 0.00 175.26 176.99 1owa s THR 8 N 0.65 4.46 -0.21 3.63 2.01 -1.26 -5.02 115.64 119.90 1owa s THR 8 Ca 0.57 2.08 -0.22 0.00 0.31 0.00 0.00 61.69 64.43 1owa s THR 8 Cb -0.31 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 67.86 1owa s THR 8 CO 0.32 0.33 0.67 0.68 -0.69 0.00 0.00 174.62 175.93 1owa s VAL 9 N -0.10 4.98 -0.13 3.82 -7.23 -1.26 -5.03 120.40 115.44 1owa s VAL 9 Ca 0.46 1.26 -0.28 0.00 -1.81 0.00 0.00 61.98 61.62 1owa s VAL 9 Cb -0.24 -3.98 -0.01 0.00 0.56 0.00 0.00 36.38 32.71 1owa s VAL 9 CO 0.30 0.06 0.95 0.54 -0.31 0.00 0.00 175.10 176.65 1owa s VAL 10 N 2.17 4.81 0.37 1.32 0.11 -1.26 -5.03 120.40 122.89 1owa s VAL 10 Ca 0.30 1.91 -0.24 0.00 -2.93 0.00 0.00 61.98 61.02 1owa s VAL 10 Cb -0.16 -4.26 -0.10 0.00 -1.53 0.00 0.00 36.38 30.34 1owa s VAL 10 CO 0.10 0.00 0.97 -1.61 -3.33 0.00 0.00 175.10 171.23 1owa s GLU 11 N 2.12 4.39 0.14 1.54 0.41 -1.26 -4.98 118.70 121.06 1owa s GLU 11 Ca 0.45 1.30 -0.11 0.00 -0.41 0.00 0.00 54.97 56.20 1owa s GLU 11 Cb -0.17 -2.56 -0.06 0.00 -1.78 0.00 0.00 34.13 29.55 1owa s GLU 11 CO 0.15 0.10 1.45 0.77 -0.49 0.00 0.00 175.26 177.25 1owa h SER 12 N 2.66 1.00 -3.33 -0.19 0.02 -2.07 -3.42 113.55 108.22 1owa h SER 12 Ca -0.48 -0.49 -0.54 0.00 -0.84 0.00 0.00 61.79 59.45 1owa h SER 12 Cb 1.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1owa h SER 12 CO 0.63 1.28 0.45 -0.44 -1.14 0.00 0.00 176.83 177.62 1owa s SER 13 N -6.87 7.27 -0.38 3.07 0.01 -1.26 -4.93 113.70 110.61 1owa s SER 13 Ca -0.11 1.73 0.06 0.00 1.31 0.00 0.00 55.95 58.94 1owa s SER 13 Cb 0.11 -2.57 0.29 0.00 0.21 0.00 0.00 66.02 64.06 1owa s SER 13 CO 0.89 -0.35 1.24 0.61 0.41 0.00 0.00 173.24 176.04 1owa n GLY 14 N 3.02 0.06 3.64 3.44 0.00 -1.26 -5.09 105.19 109.00 1owa n GLY 14 Ca 0.07 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 0.15 4.08 -1.28 1.61 0.04 -1.26 -3.67 135.00 134.66 1owa s PRO 15 Ca 0.18 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 1owa s PRO 15 Cb 0.28 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1owa s PRO 15 CO -0.09 -0.90 1.06 1.63 0.04 0.00 0.00 177.00 178.75 1owa n LYS 16 N 6.89 -7.05 -2.48 4.56 5.02 -1.26 -4.94 118.16 118.90 1owa n LYS 16 Ca 0.13 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.82 1owa n LYS 16 Cb 0.46 -5.83 -0.03 0.00 -0.02 0.00 0.00 35.03 29.62 1owa n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1owa s VAL 17 N -3.36 4.21 0.38 -0.18 1.01 -1.24 -5.01 120.40 116.21 1owa s VAL 17 Ca 0.26 1.58 -0.24 0.00 0.00 0.00 0.00 61.98 63.58 1owa s VAL 17 Cb -0.12 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1owa s VAL 17 CO 0.74 0.12 1.03 -0.76 0.00 0.00 0.00 175.10 176.24 1owa s LEU 18 N 1.04 4.18 -0.25 3.92 1.43 -1.26 -5.03 118.68 122.71 1owa s LEU 18 Ca 0.57 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 1owa s LEU 18 Cb -0.28 -4.14 0.06 0.00 0.03 0.00 0.00 46.19 41.86 1owa s LEU 18 CO 0.29 -0.41 -0.10 -1.61 0.23 0.00 0.00 176.35 174.75 1owa s GLU 19 N -2.40 2.16 0.32 1.70 2.02 -1.26 -5.10 118.70 116.14 1owa s GLU 19 Ca 0.56 -1.27 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 1owa s GLU 19 Cb -0.22 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 1owa s GLU 19 CO 0.27 -0.56 0.75 0.99 0.02 0.00 0.00 175.26 176.73 1owa s THR 20 N 1.16 4.65 0.11 3.63 2.01 -1.26 -4.92 115.64 121.01 1owa s THR 20 Ca -0.08 1.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.75 1owa s THR 20 Cb -0.20 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1owa s THR 20 CO -0.05 -0.16 1.66 0.00 -0.69 0.00 0.00 174.62 175.38 1owa h ALA 21 N 2.34 0.33 -0.37 7.40 0.00 -1.99 1.22 119.26 128.20 1owa h ALA 21 Ca -0.48 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 1owa h ALA 21 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1owa h ALA 21 CO 0.65 -0.08 -0.42 0.93 0.00 0.00 0.00 179.25 180.33 1owa h GLU 22 N 0.27 0.93 -0.21 0.00 5.08 -1.95 1.72 114.58 120.42 1owa h GLU 22 Ca 0.09 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1owa h GLU 22 Cb 0.16 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1owa h GLU 22 CO -0.01 1.16 0.13 1.49 -1.00 0.00 0.00 179.01 180.79 1owa h GLU 23 N 0.75 0.28 -0.34 2.33 4.81 -1.83 1.15 114.58 121.74 1owa h GLU 23 Ca 0.05 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1owa h GLU 23 Cb 1.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1owa h GLU 23 CO 0.10 0.22 -0.24 -0.84 -0.73 0.00 0.00 179.01 177.52 1owa h ILE 24 N 0.27 1.29 -0.75 2.32 3.07 0.16 -2.95 117.51 120.92 1owa h ILE 24 Ca 0.08 -1.39 0.01 0.00 1.55 0.00 0.00 64.86 65.10 1owa h ILE 24 Cb 0.00 1.45 -0.04 0.00 -0.27 0.00 0.00 36.82 37.96 1owa h ILE 24 CO -0.02 0.45 0.50 -0.61 -1.05 0.00 0.00 178.15 177.43 1owa h GLN 25 N 0.53 0.99 -0.65 0.16 4.15 0.31 0.35 115.11 120.95 1owa h GLN 25 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1owa h GLN 25 Cb 0.80 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1owa h GLN 25 CO 0.06 0.66 0.42 1.49 -1.93 0.00 0.00 178.83 179.53 1owa h GLU 26 N 1.02 0.87 -0.37 1.69 4.81 0.15 0.41 114.58 123.16 1owa h GLU 26 Ca 0.28 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1owa h GLU 26 Cb -0.12 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 1owa h GLU 26 CO -0.06 0.59 -0.20 0.00 -0.73 0.00 0.00 179.01 178.61 1owa h ARG 27 N 0.89 0.71 -0.84 1.92 3.08 -1.15 -2.70 114.38 116.29 1owa h ARG 27 Ca 0.24 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1owa h ARG 27 Cb -0.08 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1owa h ARG 27 CO -0.05 0.86 0.56 0.00 -1.07 0.00 0.00 179.97 180.27 1owa h ARG 28 N 0.63 1.10 -0.99 0.04 3.08 0.17 -2.11 114.38 116.30 1owa h ARG 28 Ca 0.09 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1owa h ARG 28 Cb 0.68 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1owa h ARG 28 CO 0.05 0.73 0.64 1.96 -1.07 0.00 0.00 179.97 182.28 1owa h GLN 29 N 1.14 1.32 -0.95 0.04 4.20 0.04 -2.41 115.11 118.48 1owa h GLN 29 Ca 0.31 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1owa h GLN 29 Cb -0.13 -0.29 -0.05 0.00 0.30 0.00 0.00 27.48 27.31 1owa h GLN 29 CO -0.07 0.89 0.57 0.93 -0.67 0.00 0.00 178.83 180.48 1owa h GLU 30 N 1.35 1.28 -0.46 1.46 5.08 -1.17 -2.04 114.58 120.08 1owa h GLU 30 Ca 0.36 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1owa h GLU 30 Cb -0.13 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.83 1owa h GLU 30 CO -0.08 0.89 0.31 0.28 -1.00 0.00 0.00 179.01 179.41 1owa h VAL 31 N 1.30 1.12 -0.87 3.13 2.07 -1.09 -1.04 116.25 120.86 1owa h VAL 31 Ca 0.34 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1owa h VAL 31 Cb -0.06 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1owa h VAL 31 CO -0.06 0.11 0.57 -0.07 0.02 0.00 0.00 177.57 178.14 1owa h LEU 32 N 0.62 1.02 -0.77 2.57 3.38 -1.23 -2.30 115.31 118.61 1owa h LEU 32 Ca 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1owa h LEU 32 Cb -0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1owa h LEU 32 CO -0.04 0.75 0.28 0.74 0.09 0.00 0.00 178.44 180.26 1owa h THR 33 N 1.19 1.26 -0.97 0.22 2.02 -0.89 -2.64 112.91 113.10 1owa h THR 33 Ca 0.32 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1owa h THR 33 Cb -0.12 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.63 1owa h THR 33 CO -0.07 0.35 0.64 -0.09 0.37 0.00 0.00 175.52 176.72 1owa h ARG 34 N 1.12 1.28 -0.64 6.66 2.43 -0.67 -1.26 114.38 123.30 1owa h ARG 34 Ca 0.25 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1owa h ARG 34 Cb 0.26 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1owa h ARG 34 CO -0.02 0.84 0.42 -0.92 -1.51 0.00 0.00 179.97 178.79 1owa h TYR 35 N 1.31 0.80 -0.68 2.20 3.20 -1.09 -1.52 116.97 121.20 1owa h TYR 35 Ca 0.36 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 1owa h TYR 35 Cb -0.15 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.82 1owa h TYR 35 CO -0.00 0.50 0.11 1.96 -1.64 0.00 0.00 178.16 179.09 1owa h GLN 36 N 0.86 1.12 -0.96 1.82 4.20 -1.25 -2.70 115.11 118.20 1owa h GLN 36 Ca 0.23 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1owa h GLN 36 Cb -0.10 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.51 1owa h GLN 36 CO -0.05 1.02 0.59 1.03 -0.67 0.00 0.00 178.83 180.75 1owa h SER 37 N 1.05 1.14 -0.04 1.46 0.87 -0.67 0.74 113.55 118.09 1owa h SER 37 Ca 0.21 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1owa h SER 37 Cb 0.45 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1owa h SER 37 CO 0.01 0.86 0.03 -0.26 -0.53 0.00 0.00 176.83 176.94 1owa h PHE 38 N 1.32 0.06 -0.92 2.24 -1.00 -1.05 0.91 116.94 118.49 1owa h PHE 38 Ca 0.35 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.11 1owa h PHE 38 Cb -0.08 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.42 1owa h PHE 38 CO 0.00 0.07 0.52 -0.22 -1.61 0.00 0.00 178.31 177.08 1owa h LYS 39 N 0.02 1.27 -0.87 1.51 3.64 -1.14 -1.81 116.57 119.20 1owa h LYS 39 Ca 0.02 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1owa h LYS 39 Cb 0.03 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1owa h LYS 39 CO -0.00 0.91 0.43 0.93 -2.27 0.00 0.00 179.45 179.44 1owa h GLU 40 N 1.28 1.24 -0.61 1.90 5.08 0.17 -2.32 114.58 121.32 1owa h GLU 40 Ca 0.33 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1owa h GLU 40 Cb -0.01 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1owa h GLU 40 CO -0.06 0.94 -0.00 0.00 -1.00 0.00 0.00 179.01 178.89 1owa h ARG 41 N 1.23 1.08 -0.39 2.33 3.08 0.15 -2.66 114.38 119.21 1owa h ARG 41 Ca 0.30 -0.35 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1owa h ARG 41 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1owa h ARG 41 CO -0.04 1.05 -0.36 -0.39 -1.07 0.00 0.00 179.97 179.16 1owa h VAL 42 N 0.98 1.27 -0.11 2.04 -1.51 -1.17 -2.34 116.25 115.41 1owa h VAL 42 Ca 0.17 -1.53 -0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1owa h VAL 42 Cb 0.57 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1owa h VAL 42 CO 0.03 0.51 0.05 0.00 -1.23 0.00 0.00 177.57 176.94 1owa h ALA 43 N 0.78 0.14 -0.64 5.19 0.00 -1.39 -2.19 119.26 121.15 1owa h ALA 43 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1owa h ALA 43 Cb 0.95 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1owa h ALA 43 CO 0.09 -0.30 0.42 1.49 0.00 0.00 0.00 179.25 180.95 1owa h GLU 44 N 0.06 0.83 -0.96 0.00 4.81 -1.50 -2.69 114.58 115.14 1owa h GLU 44 Ca 0.04 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1owa h GLU 44 Cb 0.11 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1owa h GLU 44 CO -0.01 0.55 0.63 -0.09 -0.73 0.00 0.00 179.01 179.37 1owa h ARG 45 N 0.86 1.26 0.00 1.92 2.43 -1.28 -3.48 114.38 116.10 1owa h ARG 45 Ca 0.23 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1owa h ARG 45 Cb -0.10 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.17 1owa h ARG 45 CO -0.05 0.84 0.00 0.41 -1.51 0.00 0.00 179.97 179.66 1owa n GLY 46 N -1.36 0.06 3.65 2.80 0.00 -0.84 -4.64 105.19 104.86 1owa n GLY 46 Ca 0.11 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1owa n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1owa s GLN 47 N 0.00 4.13 0.45 1.61 -1.52 -1.26 -4.98 119.66 118.09 1owa s GLN 47 Ca 0.00 1.43 -0.17 0.00 -1.95 0.00 0.00 55.36 54.66 1owa s GLN 47 Cb 0.00 -3.77 -0.09 0.00 -0.22 0.00 0.00 33.01 28.93 1owa s GLN 47 CO 0.00 -0.83 0.91 0.15 -0.25 0.00 0.00 175.29 175.28 1owa s LYS 48 N 3.64 4.03 0.15 2.91 1.02 -1.26 -4.97 119.74 125.26 1owa s LYS 48 Ca 0.52 0.92 0.27 0.00 0.02 0.00 0.00 55.97 57.70 1owa s LYS 48 Cb -0.18 -2.22 0.94 0.00 -0.52 0.00 0.00 37.83 35.85 1owa s LYS 48 CO 0.15 -0.10 1.82 1.28 -0.92 0.00 0.00 175.35 177.58 1owa n LEU 49 N -1.05 0.57 0.00 3.17 4.77 -1.26 -4.92 117.00 118.28 1owa n LEU 49 Ca 0.06 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1owa n LEU 49 Cb 0.54 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1owa n LEU 49 CO 0.43 -0.13 0.00 -0.62 -1.33 0.00 0.00 177.39 175.74 1owa n GLU 50 N -2.03 0.00 -3.31 3.23 1.02 -1.26 -4.73 120.64 113.57 1owa n GLU 50 Ca 0.06 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.13 1owa n GLU 50 Cb 0.40 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.76 1owa n GLU 50 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1owa s ASP 51 N 0.00 -0.02 0.35 1.62 -4.77 -1.26 -5.15 116.67 107.45 1owa s ASP 51 Ca 0.00 0.18 -0.27 0.00 -3.30 0.00 0.00 52.55 49.16 1owa s ASP 51 Cb 0.00 1.29 -0.09 0.00 -1.09 0.00 0.00 42.92 43.03 1owa s ASP 51 CO 0.00 -0.31 1.20 -0.44 0.70 0.00 0.00 175.17 176.33 1owa s SER 52 N 2.60 6.77 0.62 2.11 0.01 -1.26 -4.90 113.70 119.65 1owa s SER 52 Ca 0.13 2.46 0.40 0.00 1.31 0.00 0.00 55.95 60.25 1owa s SER 52 Cb -0.15 -2.63 1.98 0.00 0.21 0.00 0.00 66.02 65.44 1owa s SER 52 CO -0.20 -0.51 2.21 1.88 0.41 0.00 0.00 173.24 177.03 1owa h TYR 53 N 3.16 0.00 -0.90 2.43 0.05 -2.00 -2.65 116.97 117.07 1owa h TYR 53 Ca -0.48 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.31 1owa h TYR 53 Cb 1.23 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.92 1owa h TYR 53 CO 0.56 0.00 0.60 0.45 -1.05 0.00 0.00 178.16 178.72 1owa h HIS 54 N 0.00 1.13 -0.51 4.88 3.86 -1.97 0.42 115.15 122.96 1owa h HIS 54 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1owa h HIS 54 Cb 0.22 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1owa h HIS 54 CO 0.00 0.71 0.33 1.25 0.86 0.00 0.00 177.93 181.08 1owa h LEU 55 N 1.22 0.59 -1.04 2.43 7.12 -1.86 0.96 115.31 124.72 1owa h LEU 55 Ca 0.33 -0.02 -0.07 0.00 0.13 0.00 0.00 57.88 58.26 1owa h LEU 55 Cb -0.14 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 39.83 1owa h LEU 55 CO -0.07 0.43 -0.01 1.56 -0.13 0.00 0.00 178.44 180.21 1owa h GLN 56 N 0.69 0.67 -0.56 1.25 4.20 -1.48 0.21 115.11 120.10 1owa h GLN 56 Ca 0.19 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1owa h GLN 56 Cb -0.07 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1owa h GLN 56 CO -0.04 0.70 0.28 0.28 -0.67 0.00 0.00 178.83 179.38 1owa h VAL 57 N 0.63 1.20 -1.00 -0.54 2.07 0.20 1.10 116.25 119.90 1owa h VAL 57 Ca 0.13 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1owa h VAL 57 Cb 0.42 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1owa h VAL 57 CO 0.02 0.22 0.66 0.15 0.02 0.00 0.00 177.57 178.63 1owa h PHE 58 N 0.75 1.27 -0.81 1.57 3.57 0.16 0.12 116.94 123.57 1owa h PHE 58 Ca 0.19 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1owa h PHE 58 Cb 0.09 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 1owa h PHE 58 CO -0.01 0.80 0.33 0.87 -2.23 0.00 0.00 178.31 178.08 1owa h LYS 59 N 1.36 1.21 -0.70 1.11 1.79 0.16 -2.59 116.57 118.91 1owa h LYS 59 Ca 0.37 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1owa h LYS 59 Cb -0.15 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.27 1owa h LYS 59 CO -0.08 0.97 0.26 -0.09 -1.08 0.00 0.00 179.45 179.43 1owa h ARG 60 N 1.18 1.06 -1.00 3.15 2.43 0.32 -2.77 114.38 118.75 1owa h ARG 60 Ca 0.27 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1owa h ARG 60 Cb 0.20 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1owa h ARG 60 CO -0.02 0.89 0.65 -0.44 -1.51 0.00 0.00 179.97 179.54 1owa h ASP 61 N 1.01 1.15 -0.89 -3.80 3.32 -0.52 -1.94 116.42 114.75 1owa h ASP 61 Ca 0.23 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1owa h ASP 61 Cb 0.24 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1owa h ASP 61 CO -0.02 0.84 0.56 0.00 -1.72 0.00 0.00 179.24 178.91 1owa h ALA 62 N 1.37 1.13 0.12 3.45 0.00 -1.19 1.41 119.26 125.54 1owa h ALA 62 Ca 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1owa h ALA 62 Cb -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.29 1owa h ALA 62 CO -0.08 0.56 -0.06 -0.44 0.00 0.00 0.00 179.25 179.23 1owa h ASP 63 N 1.21 -0.14 -0.76 0.00 3.32 -1.24 0.79 116.42 119.60 1owa h ASP 63 Ca 0.32 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1owa h ASP 63 Cb -0.10 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1owa h ASP 63 CO -0.07 0.08 0.45 0.44 -1.72 0.00 0.00 179.24 178.42 1owa h ASP 64 N -0.36 0.94 -0.05 6.45 3.32 -1.08 0.52 116.42 126.16 1owa h ASP 64 Ca -0.02 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1owa h ASP 64 Cb 0.29 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1owa h ASP 64 CO 0.03 0.73 0.03 0.25 -1.72 0.00 0.00 179.24 178.56 1owa h LEU 65 N 1.07 0.05 -1.41 1.55 5.85 0.24 -0.87 115.31 121.80 1owa h LEU 65 Ca 0.28 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1owa h LEU 65 Cb -0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1owa h LEU 65 CO -0.05 0.05 -0.06 1.23 -0.34 0.00 0.00 178.44 179.27 1owa h GLY 66 N 0.05 0.34 1.01 3.75 0.00 0.13 -2.34 103.07 106.02 1owa h GLY 66 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1owa h GLY 66 CO -0.00 0.18 0.55 1.70 0.00 0.00 0.00 176.54 178.97 1owa h LYS 67 N 0.31 1.10 -0.98 4.80 3.64 0.13 -1.88 116.57 123.68 1owa h LYS 67 Ca 0.07 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1owa h LYS 67 Cb 0.31 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1owa h LYS 67 CO 0.01 0.73 0.65 2.35 -2.27 0.00 0.00 179.45 180.92 1owa h TRP 68 N 1.13 1.23 -1.00 1.91 7.01 -0.65 -1.77 115.95 123.81 1owa h TRP 68 Ca 0.30 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.34 1owa h TRP 68 Cb -0.13 -0.41 -0.05 0.00 -2.10 0.00 0.00 29.16 26.47 1owa h TRP 68 CO -0.01 0.77 0.65 0.82 -2.79 0.00 0.00 178.44 177.87 1owa h ILE 69 N 1.32 1.26 -0.49 2.65 2.04 -1.23 -1.59 117.51 121.46 1owa h ILE 69 Ca 0.36 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1owa h ILE 69 Cb -0.14 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 35.72 1owa h ILE 69 CO -0.08 0.25 0.33 0.24 0.00 0.00 0.00 178.15 178.88 1owa h MET 70 N 1.35 0.62 -0.16 2.37 2.86 -0.89 0.15 114.93 121.24 1owa h MET 70 Ca 0.36 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1owa h MET 70 Cb -0.15 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1owa h MET 70 CO -0.08 0.41 0.10 1.49 1.06 0.00 0.00 176.91 179.90 1owa h GLU 71 N 0.64 0.21 -0.54 1.72 4.81 -1.01 0.20 114.58 120.62 1owa h GLU 71 Ca 0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1owa h GLU 71 Cb -0.04 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1owa h GLU 71 CO -0.04 0.14 0.35 0.87 -0.73 0.00 0.00 179.01 179.60 1owa h LYS 72 N 0.20 0.71 -0.61 1.92 1.79 -1.03 -1.22 116.57 118.33 1owa h LYS 72 Ca 0.06 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1owa h LYS 72 Cb -0.01 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.45 1owa h LYS 72 CO -0.01 0.47 0.27 0.28 -1.08 0.00 0.00 179.45 179.38 1owa h VAL 73 N 0.73 1.22 -0.01 0.50 2.07 0.12 0.93 116.25 121.81 1owa h VAL 73 Ca 0.20 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1owa h VAL 73 Cb -0.08 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1owa h VAL 73 CO -0.04 0.26 0.01 0.78 0.02 0.00 0.00 177.57 178.60 1owa h ASN 74 N 0.84 0.01 -0.47 0.57 2.35 0.43 0.87 115.58 120.19 1owa h ASN 74 Ca 0.21 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1owa h ASN 74 Cb 0.16 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1owa h ASN 74 CO -0.02 0.11 0.12 -0.29 -1.65 0.00 0.00 177.43 175.70 1owa h ILE 75 N -0.08 1.22 -0.74 2.81 2.10 -1.15 0.48 117.51 122.15 1owa h ILE 75 Ca 0.00 -0.81 -0.00 0.00 1.08 0.00 0.00 64.86 65.13 1owa h ILE 75 Cb 0.10 0.69 -0.04 0.00 -1.09 0.00 0.00 36.82 36.48 1owa h ILE 75 CO -0.00 0.30 0.46 0.25 -1.08 0.00 0.00 178.15 178.08 1owa h LEU 76 N 0.78 0.88 -0.98 2.19 7.12 0.18 0.99 115.31 126.47 1owa h LEU 76 Ca 0.17 -0.05 -0.11 0.00 0.13 0.00 0.00 57.88 58.02 1owa h LEU 76 Cb 0.29 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1owa h LEU 76 CO -0.00 0.67 -0.50 0.71 -0.13 0.00 0.00 178.44 179.19 1owa h THR 77 N 1.01 1.36 -1.01 1.05 1.35 0.16 -3.03 112.91 113.80 1owa h THR 77 Ca 0.27 -1.72 0.01 0.00 -0.55 0.00 0.00 66.41 64.42 1owa h THR 77 Cb -0.06 1.91 -0.05 0.00 -1.73 0.00 0.00 68.15 68.22 1owa h THR 77 CO -0.05 0.49 0.67 0.44 -0.25 0.00 0.00 175.52 176.82 1owa h ASP 78 N 0.02 1.16 0.21 5.36 3.32 0.24 0.14 116.42 126.87 1owa h ASP 78 Ca -0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1owa h ASP 78 Cb 0.89 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1owa h ASP 78 CO 0.07 0.84 -0.08 0.07 -1.72 0.00 0.00 179.24 178.41 1owa h LYS 79 N 1.37 0.00 -0.85 3.56 2.10 -1.18 -1.48 116.57 120.09 1owa h LYS 79 Ca 0.37 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.99 1owa h LYS 79 Cb -0.16 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.14 1owa h LYS 79 CO -0.08 0.08 0.42 1.03 -2.00 0.00 0.00 179.45 178.90 1owa h SER 80 N 0.00 1.10 -0.69 7.07 0.87 -0.77 -2.99 113.55 118.15 1owa h SER 80 Ca -0.00 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1owa h SER 80 Cb 0.20 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1owa h SER 80 CO 0.01 0.92 0.43 0.22 -0.53 0.00 0.00 176.83 177.88 1owa h TYR 81 N 1.21 0.80 -3.97 2.24 3.20 -1.11 -3.42 116.97 115.92 1owa h TYR 81 Ca 0.29 0.02 -0.69 0.00 3.14 0.00 0.00 58.73 61.50 1owa h TYR 81 Cb 0.10 -0.26 -0.22 0.00 1.54 0.00 0.00 36.73 37.89 1owa h TYR 81 CO 0.01 0.45 -0.79 -1.21 -1.64 0.00 0.00 178.16 174.99 1owa s GLU 82 N -6.12 2.26 -0.45 1.82 2.02 -1.13 -5.05 118.70 112.06 1owa s GLU 82 Ca -0.13 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.06 1owa s GLU 82 Cb 0.15 -2.28 0.41 0.00 0.10 0.00 0.00 34.13 32.52 1owa s GLU 82 CO 0.77 0.57 1.08 -3.47 0.02 0.00 0.00 175.26 174.23 1owa n ASP 83 N 1.81 4.45 -4.84 -0.19 2.03 -1.26 -4.79 116.55 113.75 1owa n ASP 83 Ca -0.16 -3.65 -0.33 0.00 0.52 0.00 0.00 54.79 51.17 1owa n ASP 83 Cb 0.52 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 1owa n ASP 83 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1owa s PRO 84 N -3.50 4.08 0.00 -0.67 0.04 -1.26 -5.04 135.00 128.65 1owa s PRO 84 Ca 0.47 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1owa s PRO 84 Cb 0.39 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1owa s PRO 84 CO -0.17 0.14 0.00 2.41 0.04 0.00 0.00 177.00 179.42 1owa n THR 85 N -0.33 0.00 -2.55 1.26 -1.04 -1.26 -4.82 114.28 105.54 1owa n THR 85 Ca 0.04 0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.96 1owa n THR 85 Cb 0.53 -1.08 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 1owa n THR 85 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1owa s ASN 86 N -2.49 7.07 -0.40 8.00 2.47 -1.26 -4.62 114.94 123.70 1owa s ASN 86 Ca 0.00 1.58 0.05 0.00 0.42 0.00 0.00 52.86 54.91 1owa s ASN 86 Cb 0.00 -2.55 0.18 0.00 -1.45 0.00 0.00 41.25 37.44 1owa s ASN 86 CO 0.00 -0.64 0.71 -0.51 -3.72 0.00 0.00 177.10 172.94 1owa s ILE 87 N 2.91 -0.86 0.25 -5.21 2.07 -1.26 -5.03 121.20 114.07 1owa s ILE 87 Ca 0.50 -0.07 -0.06 0.00 -1.41 0.00 0.00 60.65 59.61 1owa s ILE 87 Cb -0.19 0.00 0.24 0.00 0.13 0.00 0.00 42.46 42.64 1owa s ILE 87 CO 0.14 0.00 1.91 1.56 -1.91 0.00 0.00 174.94 176.63 1owa h GLN 88 N 6.58 1.30 0.16 3.50 4.20 -1.99 -2.25 115.11 126.61 1owa h GLN 88 Ca 0.04 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1owa h GLN 88 Cb 1.18 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1owa h GLN 88 CO 0.06 0.89 -0.08 0.78 -0.67 0.00 0.00 178.83 179.81 1owa h GLY 89 N 1.33 -0.23 0.99 3.46 0.00 -1.99 -2.21 103.07 104.41 1owa h GLY 89 Ca 0.35 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.78 1owa h GLY 89 CO -0.07 -0.08 0.67 1.70 0.00 0.00 0.00 176.54 178.75 1owa h LYS 90 N -0.59 1.31 -0.93 4.80 3.64 -1.98 -1.60 116.57 121.22 1owa h LYS 90 Ca -0.02 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1owa h LYS 90 Cb 0.44 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1owa h LYS 90 CO 0.04 0.87 0.62 -0.92 -2.27 0.00 0.00 179.45 177.78 1owa h TYR 91 N 1.35 1.17 -0.74 1.91 5.03 -1.40 -2.50 116.97 121.79 1owa h TYR 91 Ca 0.37 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.65 1owa h TYR 91 Cb -0.14 -0.40 -0.03 0.00 1.55 0.00 0.00 36.73 37.72 1owa h TYR 91 CO -0.00 0.74 0.22 1.96 -1.32 0.00 0.00 178.16 179.75 1owa h GLN 92 N 1.26 1.15 -0.27 1.82 4.20 -0.66 -2.36 115.11 120.25 1owa h GLN 92 Ca 0.34 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1owa h GLN 92 Cb -0.14 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1owa h GLN 92 CO -0.07 0.99 0.17 -0.22 -0.67 0.00 0.00 178.83 179.02 1owa h LYS 93 N 1.10 0.34 -0.47 1.46 3.64 -0.91 -0.71 116.57 121.02 1owa h LYS 93 Ca 0.24 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1owa h LYS 93 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1owa h LYS 93 CO -0.00 0.22 -0.23 1.12 -2.27 0.00 0.00 179.45 178.29 1owa h HIS 94 N 0.35 1.11 -0.60 1.91 2.07 -1.51 -2.79 115.15 115.70 1owa h HIS 94 Ca 0.10 -0.27 0.01 0.00 -2.85 0.00 0.00 60.37 57.36 1owa h HIS 94 Cb -0.02 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 29.67 1owa h HIS 94 CO -0.07 1.09 0.39 0.37 -3.07 0.00 0.00 177.93 176.64 1owa h GLN 95 N 0.83 0.79 -0.99 5.12 4.15 -1.13 0.22 115.11 124.10 1owa h GLN 95 Ca 0.11 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1owa h GLN 95 Cb 0.80 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 1owa h GLN 95 CO 0.07 0.52 0.65 0.77 -1.93 0.00 0.00 178.83 178.91 1owa h SER 96 N 0.81 1.14 1.00 -0.69 0.02 -1.07 0.44 113.55 115.20 1owa h SER 96 Ca 0.22 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1owa h SER 96 Cb -0.09 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.17 1owa h SER 96 CO -0.05 0.83 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.39 1owa h LEU 97 N 1.34 0.00 -0.58 5.07 3.38 -1.09 -2.57 115.31 120.86 1owa h LEU 97 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1owa h LEU 97 Cb -0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1owa h LEU 97 CO -0.08 0.01 0.31 -0.08 0.09 0.00 0.00 178.44 178.70 1owa h GLU 98 N 0.00 0.81 -0.47 1.13 4.81 0.31 0.46 114.58 121.64 1owa h GLU 98 Ca -0.00 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1owa h GLU 98 Cb 0.52 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1owa h GLU 98 CO 0.00 0.63 0.01 0.00 -0.73 0.00 0.00 179.01 178.92 1owa h ALA 99 N 1.14 1.13 -0.88 2.92 0.00 -1.18 -2.17 119.26 120.23 1owa h ALA 99 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1owa h ALA 99 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1owa h ALA 99 CO -0.03 0.56 0.49 1.49 0.00 0.00 0.00 179.25 181.76 1owa h GLU 100 N 0.72 1.22 -0.26 0.00 4.57 -0.76 0.25 114.58 120.32 1owa h GLU 100 Ca 0.14 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1owa h GLU 100 Cb 0.43 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1owa h GLU 100 CO 0.02 0.89 0.17 0.28 -1.18 0.00 0.00 179.01 179.19 1owa h VAL 101 N 1.23 1.07 -0.94 0.32 2.07 0.44 0.90 116.25 121.34 1owa h VAL 101 Ca 0.31 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1owa h VAL 101 Cb 0.01 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1owa h VAL 101 CO -0.05 0.07 0.62 1.56 0.02 0.00 0.00 177.57 179.79 1owa h GLN 102 N 0.35 1.24 -0.14 1.57 4.20 -0.91 0.25 115.11 121.67 1owa h GLN 102 Ca 0.10 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1owa h GLN 102 Cb -0.03 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 1owa h GLN 102 CO -0.02 0.82 0.04 1.15 -0.67 0.00 0.00 178.83 180.15 1owa h THR 103 N 1.28 1.19 -0.98 -0.54 2.02 0.12 -2.45 112.91 113.55 1owa h THR 103 Ca 0.35 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1owa h THR 103 Cb -0.15 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1owa h THR 103 CO -0.07 0.17 0.64 0.50 0.37 0.00 0.00 175.52 177.13 1owa h LYS 104 N 0.04 1.30 -0.72 6.66 1.63 0.14 -1.90 116.57 123.72 1owa h LYS 104 Ca 0.04 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1owa h LYS 104 Cb 0.23 -0.29 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1owa h LYS 104 CO -0.00 0.87 0.47 0.66 -3.45 0.00 0.00 179.45 178.00 1owa h SER 105 N 1.34 0.72 -0.90 4.20 4.64 -0.27 -0.42 113.55 122.85 1owa h SER 105 Ca 0.36 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1owa h SER 105 Cb -0.14 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 61.75 1owa h SER 105 CO -0.08 0.49 0.51 -0.09 -0.87 0.00 0.00 176.83 176.80 1owa h ARG 106 N 0.84 1.25 -0.21 4.77 2.43 -0.87 0.76 114.38 123.35 1owa h ARG 106 Ca 0.29 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1owa h ARG 106 Cb 0.12 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1owa h ARG 106 CO -0.09 0.90 0.14 1.25 -1.51 0.00 0.00 179.97 180.66 1owa h LEU 107 N 1.26 0.23 -0.61 3.80 6.46 -0.99 0.96 115.31 126.42 1owa h LEU 107 Ca 0.32 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.96 1owa h LEU 107 Cb -0.00 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1owa h LEU 107 CO -0.05 0.17 -0.16 -0.03 -0.62 0.00 0.00 178.44 177.74 1owa h MET 108 N 0.27 0.93 -0.14 1.25 4.05 0.13 1.73 114.93 123.16 1owa h MET 108 Ca 0.08 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1owa h MET 108 Cb -0.02 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1owa h MET 108 CO -0.02 1.02 0.09 1.03 0.23 0.00 0.00 176.91 179.26 1owa h SER 109 N 0.82 0.16 -0.40 1.39 0.87 0.57 0.59 113.55 117.55 1owa h SER 109 Ca 0.12 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 1owa h SER 109 Cb 0.70 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1owa h SER 109 CO 0.05 0.14 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.24 1owa h GLU 110 N 0.17 0.89 -0.98 2.24 4.81 0.30 -2.24 114.58 119.76 1owa h GLU 110 Ca 0.05 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1owa h GLU 110 Cb 0.01 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1owa h GLU 110 CO -0.01 1.00 0.65 1.25 -0.73 0.00 0.00 179.01 181.17 1owa h LEU 111 N 0.78 1.13 -0.35 1.64 5.85 0.35 0.71 115.31 125.42 1owa h LEU 111 Ca 0.11 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1owa h LEU 111 Cb 0.72 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1owa h LEU 111 CO 0.06 0.82 -0.22 1.05 -0.34 0.00 0.00 178.44 179.80 1owa h GLU 112 N 1.33 0.77 -0.68 1.25 4.11 0.33 -2.22 114.58 119.48 1owa h GLU 112 Ca 0.36 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1owa h GLU 112 Cb -0.15 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1owa h GLU 112 CO -0.08 0.98 0.42 0.87 0.07 0.00 0.00 179.01 181.28 1owa h LYS 113 N 0.55 0.90 -0.98 1.06 1.57 -0.83 -1.80 116.57 117.04 1owa h LYS 113 Ca 0.07 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1owa h LYS 113 Cb 0.78 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1owa h LYS 113 CO 0.06 0.62 0.65 1.15 -0.57 0.00 0.00 179.45 181.36 1owa h THR 114 N 0.92 1.25 -0.56 -0.16 2.02 0.99 0.51 112.91 117.88 1owa h THR 114 Ca 0.25 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1owa h THR 114 Cb -0.07 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.12 1owa h THR 114 CO -0.05 0.24 0.37 0.03 0.37 0.00 0.00 175.52 176.48 1owa h ARG 115 N 1.33 0.74 -0.11 6.66 3.08 -0.78 0.09 114.38 125.39 1owa h ARG 115 Ca 0.36 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.27 1owa h ARG 115 Cb -0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 1owa h ARG 115 CO -0.08 0.49 -0.38 0.93 -1.07 0.00 0.00 179.97 179.86 1owa h GLU 116 N 0.76 0.24 -0.74 0.04 5.08 -1.17 -2.87 114.58 115.91 1owa h GLU 116 Ca 0.21 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1owa h GLU 116 Cb -0.09 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1owa h GLU 116 CO -0.04 0.59 0.49 1.49 -1.00 0.00 0.00 179.01 180.54 1owa h GLU 117 N 0.20 0.98 -5.79 2.33 4.81 0.18 -3.39 114.58 113.91 1owa h GLU 117 Ca 0.02 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.52 1owa h GLU 117 Cb 0.77 -0.22 -0.11 0.00 0.63 0.00 0.00 28.75 29.82 1owa h GLU 117 CO 0.06 0.65 -0.54 1.03 -0.73 0.00 0.00 179.01 179.47 1owa s ARG 118 N -6.14 3.23 -0.86 1.92 1.81 -0.31 -4.64 118.95 113.97 1owa s ARG 118 Ca -0.13 -0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 53.60 1owa s ARG 118 Cb 0.15 -3.01 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 1owa s ARG 118 CO 0.78 0.75 0.78 1.19 -0.68 0.00 0.00 175.30 178.11 1owa n PHE 119 N 2.04 -2.71 -2.08 -0.53 3.72 -1.26 -4.81 117.46 111.84 1owa n PHE 119 Ca -0.19 1.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.88 1owa n PHE 119 Cb 0.54 -4.08 0.01 0.00 -0.94 0.00 0.00 39.48 35.01 1owa n PHE 119 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1owa s THR 120 N -3.17 3.87 -0.06 4.37 -4.23 -1.26 -3.28 115.64 111.89 1owa s THR 120 Ca 0.20 0.89 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1owa s THR 120 Cb -0.03 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1owa s THR 120 CO 0.73 -0.52 0.00 0.23 -0.54 0.00 0.00 174.62 174.52 1owa n MET 121 N -1.98 -1.21 -3.37 3.99 2.81 -1.26 -4.94 117.12 111.15 1owa n MET 121 Ca 0.09 0.33 -0.45 0.00 -1.81 0.00 0.00 57.70 55.85 1owa n MET 121 Cb 0.53 -4.26 -0.04 0.00 -0.71 0.00 0.00 33.22 28.74 1owa n MET 121 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1owa s GLY 122 N -2.03 2.44 0.16 3.03 0.00 -1.21 -4.90 107.32 104.81 1owa s GLY 122 Ca 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 44.72 41.59 1owa s GLY 122 CO 0.00 1.22 1.57 0.45 0.00 0.00 0.00 173.10 176.34 1owa h HIS 123 N 8.10 1.16 -0.78 1.90 3.86 -1.92 -2.98 115.15 124.49 1owa h HIS 123 Ca -0.05 -0.26 -0.05 0.00 -1.16 0.00 0.00 60.37 58.86 1owa h HIS 123 Cb 1.05 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.21 1owa h HIS 123 CO 0.89 1.09 0.29 0.77 0.86 0.00 0.00 177.93 181.83 1owa h SER 124 N 0.89 1.10 0.14 2.45 0.02 -1.99 -0.52 113.55 115.63 1owa h SER 124 Ca 0.13 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1owa h SER 124 Cb 0.73 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1owa h SER 124 CO 0.06 0.99 -0.02 0.00 -1.14 0.00 0.00 176.83 176.71 1owa h ALA 125 N 1.15 1.21 -0.39 3.77 0.00 -1.92 -1.21 119.26 121.88 1owa h ALA 125 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1owa h ALA 125 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1owa h ALA 125 CO -0.02 0.02 -0.09 1.25 0.00 0.00 0.00 179.25 180.42 1owa h HIS 126 N 0.00 0.84 -0.72 0.00 2.76 -0.94 -2.31 115.15 114.77 1owa h HIS 126 Ca -0.00 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1owa h HIS 126 Cb 0.09 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 1owa h HIS 126 CO 0.00 0.88 0.46 0.93 -1.30 0.00 0.00 177.93 178.89 1owa h GLU 127 N 0.56 0.97 -0.36 5.26 5.08 -1.12 0.92 114.58 125.90 1owa h GLU 127 Ca 0.10 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1owa h GLU 127 Cb 0.60 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1owa h GLU 127 CO 0.04 0.67 -0.17 0.93 -1.00 0.00 0.00 179.01 179.47 1owa h GLU 128 N 0.98 0.75 -0.14 2.33 5.08 -1.49 -2.08 114.58 120.01 1owa h GLU 128 Ca 0.26 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1owa h GLU 128 Cb -0.07 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1owa h GLU 128 CO -0.05 0.94 -0.59 1.79 -1.00 0.00 0.00 179.01 180.10 1owa h THR 129 N 0.53 1.32 -1.00 1.13 1.35 -1.20 -3.04 112.91 112.00 1owa h THR 129 Ca 0.08 -1.85 0.01 0.00 -0.55 0.00 0.00 66.41 64.11 1owa h THR 129 Cb 0.71 2.05 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 1owa h THR 129 CO 0.05 0.57 0.66 0.50 -0.25 0.00 0.00 175.52 177.06 1owa h LYS 130 N 0.32 1.31 -0.48 4.72 3.64 0.89 -2.32 116.57 124.64 1owa h LYS 130 Ca -0.03 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1owa h LYS 130 Cb 1.22 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1owa h LYS 130 CO 0.12 0.86 0.02 0.00 -2.27 0.00 0.00 179.45 178.19 1owa h ALA 131 N 1.38 0.65 -0.24 5.00 0.00 -1.41 -0.27 119.26 124.38 1owa h ALA 131 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1owa h ALA 131 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1owa h ALA 131 CO -0.09 0.43 0.16 1.25 0.00 0.00 0.00 179.25 181.00 1owa h HIS 132 N 0.70 0.29 -0.21 0.00 -0.00 -1.35 -1.81 115.15 112.77 1owa h HIS 132 Ca 0.14 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.38 1owa h HIS 132 Cb 0.48 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1owa h HIS 132 CO 0.04 0.18 -0.45 0.97 -0.00 0.00 0.00 177.93 178.67 1owa h ILE 133 N 0.32 1.31 -0.42 6.26 2.10 -1.38 -2.93 117.51 122.77 1owa h ILE 133 Ca 0.09 -1.64 0.00 0.00 1.08 0.00 0.00 64.86 64.39 1owa h ILE 133 Cb -0.04 1.63 -0.02 0.00 -1.09 0.00 0.00 36.82 37.31 1owa h ILE 133 CO -0.02 0.51 0.28 -0.08 -1.08 0.00 0.00 178.15 177.76 1owa h GLU 134 N 0.43 0.55 -0.75 2.19 4.57 -0.76 0.11 114.58 120.91 1owa h GLU 134 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1owa h GLU 134 Cb 0.95 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 1owa h GLU 134 CO 0.08 0.36 0.47 0.93 -1.18 0.00 0.00 179.01 179.68 1owa h GLU 135 N 0.57 1.01 -0.94 1.92 5.08 -1.30 -2.04 114.58 118.88 1owa h GLU 135 Ca 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1owa h GLU 135 Cb -0.06 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 28.92 1owa h GLU 135 CO -0.04 0.70 0.55 -0.07 -1.00 0.00 0.00 179.01 179.15 1owa h LEU 136 N 1.03 1.14 -0.93 1.33 3.38 -1.23 -2.50 115.31 117.53 1owa h LEU 136 Ca 0.27 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1owa h LEU 136 Cb -0.07 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 1owa h LEU 136 CO -0.05 0.89 0.52 -0.09 0.09 0.00 0.00 178.44 179.79 1owa h ARG 137 N 1.30 1.27 -0.94 1.13 2.43 -0.30 -2.42 114.38 116.85 1owa h ARG 137 Ca 0.33 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1owa h ARG 137 Cb -0.03 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.22 1owa h ARG 137 CO -0.06 0.92 0.61 0.45 -1.51 0.00 0.00 179.97 180.38 1owa h HIS 138 N 1.28 1.19 -0.87 2.20 3.86 -0.97 -1.59 115.15 120.25 1owa h HIS 138 Ca 0.33 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.54 1owa h HIS 138 Cb 0.00 -0.40 -0.04 0.00 1.06 0.00 0.00 27.41 28.03 1owa h HIS 138 CO 0.01 0.76 0.46 -0.07 0.86 0.00 0.00 177.93 179.95 1owa h LEU 139 N 1.28 1.10 -0.66 2.43 4.07 -1.30 -2.49 115.31 119.74 1owa h LEU 139 Ca 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 1owa h LEU 139 Cb -0.13 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.30 1owa h LEU 139 CO -0.07 0.90 0.38 -0.50 -1.08 0.00 0.00 178.44 178.06 1owa h TRP 140 N 1.22 0.89 -0.57 1.13 6.55 -0.99 -2.02 115.95 122.16 1owa h TRP 140 Ca 0.30 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.13 1owa h TRP 140 Cb 0.05 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 1owa h TRP 140 CO 0.01 0.63 0.37 -0.44 -1.05 0.00 0.00 178.44 177.96 1owa h ASP 141 N 0.90 0.66 -0.04 -3.49 3.32 -0.91 0.33 116.42 117.19 1owa h ASP 141 Ca 0.23 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1owa h ASP 141 Cb 0.02 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1owa h ASP 141 CO -0.04 0.48 0.03 0.25 -1.72 0.00 0.00 179.24 178.24 1owa h LEU 142 N 0.77 0.05 -1.00 1.55 5.85 -1.18 0.27 115.31 121.62 1owa h LEU 142 Ca 0.21 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1owa h LEU 142 Cb -0.08 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1owa h LEU 142 CO -0.04 0.05 0.66 -0.07 -0.34 0.00 0.00 178.44 178.69 1owa h LEU 143 N 0.04 1.15 -0.14 2.25 3.38 -0.98 0.97 115.31 121.98 1owa h LEU 143 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1owa h LEU 143 Cb 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1owa h LEU 143 CO -0.00 0.84 0.07 0.25 0.09 0.00 0.00 178.44 179.69 1owa h LEU 144 N 1.36 0.19 -1.04 1.67 5.85 0.09 0.96 115.31 124.38 1owa h LEU 144 Ca 0.37 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1owa h LEU 144 Cb -0.15 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1owa h LEU 144 CO -0.08 0.25 0.65 -0.08 -0.34 0.00 0.00 178.44 178.85 1owa h GLU 145 N 0.11 1.29 -0.98 1.25 4.81 0.23 -0.91 114.58 120.38 1owa h GLU 145 Ca 0.05 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1owa h GLU 145 Cb 0.12 -0.29 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 1owa h GLU 145 CO -0.01 0.85 0.64 -0.07 -0.73 0.00 0.00 179.01 179.70 1owa h LEU 146 N 1.33 1.12 -0.18 1.64 3.38 0.19 1.24 115.31 124.03 1owa h LEU 146 Ca 0.36 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1owa h LEU 146 Cb -0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.31 1owa h LEU 146 CO -0.08 0.82 -0.02 0.74 0.09 0.00 0.00 178.44 179.99 1owa h THR 147 N 1.33 1.27 -0.86 0.22 2.02 0.01 -0.98 112.91 115.93 1owa h THR 147 Ca 0.36 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1owa h THR 147 Cb -0.15 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1owa h THR 147 CO -0.08 0.28 0.55 -0.07 0.37 0.00 0.00 175.52 176.58 1owa h LEU 148 N 0.06 0.99 -0.58 2.58 3.38 -0.74 -2.09 115.31 118.91 1owa h LEU 148 Ca 0.05 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1owa h LEU 148 Cb 0.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1owa h LEU 148 CO 0.01 0.73 0.38 -0.08 0.09 0.00 0.00 178.44 179.58 1owa h GLU 149 N 1.16 0.76 -0.47 1.13 4.81 0.20 -0.94 114.58 121.23 1owa h GLU 149 Ca 0.31 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1owa h GLU 149 Cb -0.11 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 1owa h GLU 149 CO -0.07 0.50 0.31 -0.22 -0.73 0.00 0.00 179.01 178.81 1owa h LYS 150 N 0.78 0.62 -0.63 1.92 3.64 -0.53 -2.11 116.57 120.26 1owa h LYS 150 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1owa h LYS 150 Cb -0.09 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 1owa h LYS 150 CO -0.05 0.41 0.37 0.78 -2.27 0.00 0.00 179.45 178.69 1owa h GLY 151 N 0.64 0.92 1.00 5.01 0.00 -0.98 0.23 103.07 109.89 1owa h GLY 151 Ca 0.18 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1owa h GLY 151 CO -0.04 0.37 0.40 -0.55 0.00 0.00 0.00 176.54 176.72 1owa h ASP 152 N 0.87 0.69 0.31 0.19 3.32 -0.54 0.48 116.42 121.75 1owa h ASP 152 Ca 0.23 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 1owa h ASP 152 Cb -0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1owa h ASP 152 CO -0.04 0.50 -0.44 1.56 -1.72 0.00 0.00 179.24 179.10 1owa h GLN 153 N 0.82 0.17 0.00 3.56 1.08 -0.83 -2.40 115.11 117.51 1owa h GLN 153 Ca 0.22 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1owa h GLN 153 Cb -0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1owa h GLN 153 CO -0.05 0.58 -0.29 1.25 -0.95 0.00 0.00 178.83 179.37 1owa h LEU 154 N 0.14 0.00 -9.79 1.46 6.46 0.16 -3.44 115.31 110.31 1owa h LEU 154 Ca 0.01 0.00 -0.52 0.00 -0.12 0.00 0.00 57.88 57.25 1owa h LEU 154 Cb 0.84 0.00 0.05 0.00 -0.73 0.00 0.00 40.66 40.82 1owa h LEU 154 CO 0.07 0.29 0.64 -0.76 -0.62 0.00 0.00 178.44 178.06 1owa s LEU 155 N -7.34 4.43 0.00 2.25 1.43 0.15 -4.75 118.68 114.85 1owa s LEU 155 Ca -0.01 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1owa s LEU 155 Cb 0.12 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1owa s LEU 155 CO 0.66 -0.51 0.00 -1.14 0.23 0.00 0.00 176.35 175.59