#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 -6.14 -2.57 0.03 -0.58 -1.26 -4.95 120.64 105.16 1owa n GLU 2 Ca 0.00 0.88 -0.38 0.00 -0.42 0.00 0.00 57.16 57.24 1owa n GLU 2 Cb 0.00 -5.83 -0.05 0.00 -0.57 0.00 0.00 31.44 24.99 1owa n GLU 2 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1owa s GLN 3 N -5.95 4.48 -0.29 3.49 -0.21 -1.26 -5.01 119.66 114.92 1owa s GLN 3 Ca 0.42 1.59 -0.24 0.00 0.02 0.00 0.00 55.36 57.15 1owa s GLN 3 Cb -0.18 -2.91 -0.00 0.00 1.00 0.00 0.00 33.01 30.92 1owa s GLN 3 CO 0.52 0.13 0.81 0.12 -2.12 0.00 0.00 175.29 174.74 1owa s PHE 4 N -1.41 3.23 0.28 0.91 5.36 -1.26 -5.02 117.98 120.06 1owa s PHE 4 Ca 0.50 0.91 -0.30 0.00 -0.96 0.00 0.00 56.93 57.08 1owa s PHE 4 Cb -0.26 -3.19 -0.11 0.00 -0.34 0.00 0.00 43.02 39.13 1owa s PHE 4 CO 0.33 -0.53 1.49 -2.14 -1.46 0.00 0.00 175.22 172.91 1owa s PRO 5 N 2.95 4.21 0.03 10.12 0.02 -1.26 -4.96 135.00 146.11 1owa s PRO 5 Ca 0.33 2.41 -0.30 0.00 0.02 0.00 0.00 61.00 63.46 1owa s PRO 5 Cb -0.14 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1owa s PRO 5 CO 0.11 -0.48 1.10 0.21 -0.33 0.00 0.00 177.00 177.61 1owa s LYS 6 N -0.62 4.49 -0.18 5.54 2.47 -1.26 -5.03 119.74 125.15 1owa s LYS 6 Ca 0.60 1.61 -0.10 0.00 -1.56 0.00 0.00 55.97 56.52 1owa s LYS 6 Cb -0.44 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.48 1owa s LYS 6 CO 0.47 -0.16 0.15 -1.21 0.16 0.00 0.00 175.35 174.75 1owa s GLU 7 N 1.04 4.06 0.01 4.03 2.02 -1.26 -5.07 118.70 123.53 1owa s GLU 7 Ca 0.56 -0.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 1owa s GLU 7 Cb -0.26 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 1owa s GLU 7 CO 0.29 0.39 1.02 0.99 0.02 0.00 0.00 175.26 177.96 1owa s THR 8 N 0.10 4.72 -0.13 3.63 2.01 -1.26 -5.02 115.64 119.69 1owa s THR 8 Ca 0.10 1.96 -0.19 0.00 0.31 0.00 0.00 61.69 63.87 1owa s THR 8 Cb -0.11 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1owa s THR 8 CO -0.00 0.15 0.51 -0.69 -0.69 0.00 0.00 174.62 173.90 1owa s VAL 9 N 1.02 5.16 0.23 3.82 1.01 -1.26 -5.05 120.40 125.32 1owa s VAL 9 Ca 0.53 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1owa s VAL 9 Cb -0.22 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1owa s VAL 9 CO 0.28 0.29 1.03 0.68 0.00 0.00 0.00 175.10 177.38 1owa s VAL 10 N 0.82 3.88 -0.52 2.92 -7.23 -1.26 -4.92 120.40 114.08 1owa s VAL 10 Ca 0.27 1.79 0.02 0.00 -1.81 0.00 0.00 61.98 62.25 1owa s VAL 10 Cb -0.15 -4.14 0.12 0.00 0.56 0.00 0.00 36.38 32.77 1owa s VAL 10 CO 0.11 0.39 0.90 -0.62 -0.31 0.00 0.00 175.10 175.57 1owa n GLU 11 N 1.71 1.45 -0.10 4.82 1.02 -1.26 -4.06 120.64 124.22 1owa n GLU 11 Ca -0.00 -0.51 -0.14 0.00 -0.02 0.00 0.00 57.16 56.49 1owa n GLU 11 Cb 0.46 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1owa n GLU 11 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1owa h SER 12 N 0.44 1.00 -3.36 1.62 0.87 -2.04 -3.44 113.55 108.64 1owa h SER 12 Ca 0.05 -0.50 -0.53 0.00 -1.23 0.00 0.00 61.79 59.58 1owa h SER 12 Cb 0.99 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1owa h SER 12 CO 0.13 1.30 0.56 -0.44 -0.53 0.00 0.00 176.83 177.85 1owa s SER 13 N -6.90 7.09 -0.05 6.23 0.01 -1.26 -5.02 113.70 113.81 1owa s SER 13 Ca -0.11 2.14 -0.21 0.00 1.31 0.00 0.00 55.95 59.08 1owa s SER 13 Cb 0.11 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1owa s SER 13 CO 0.89 -0.40 0.61 -0.83 0.41 0.00 0.00 173.24 173.91 1owa s GLY 14 N 0.50 2.57 0.46 3.44 0.00 -1.26 -5.05 107.32 107.97 1owa s GLY 14 Ca 0.55 0.02 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 1owa s GLY 14 CO 0.33 0.91 1.29 2.56 0.00 0.00 0.00 173.10 178.19 1owa s PRO 15 N 0.33 3.67 -0.28 2.90 0.04 -1.26 -5.04 135.00 135.37 1owa s PRO 15 Ca 0.32 2.10 -0.09 0.00 0.04 0.00 0.00 61.00 63.37 1owa s PRO 15 Cb -0.17 -2.53 0.12 0.00 0.04 0.00 0.00 34.50 31.96 1owa s PRO 15 CO 0.16 -0.72 0.60 0.15 0.04 0.00 0.00 177.00 177.24 1owa s LYS 16 N -2.55 0.53 0.10 4.56 1.02 -1.26 -5.15 119.74 116.99 1owa s LYS 16 Ca 0.63 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.69 1owa s LYS 16 Cb -0.37 0.76 -0.06 0.00 -0.52 0.00 0.00 37.83 37.65 1owa s LYS 16 CO 0.46 -0.21 1.04 0.54 -0.92 0.00 0.00 175.35 176.26 1owa s VAL 17 N 2.83 4.33 -0.02 3.17 0.11 -1.26 -5.01 120.40 124.56 1owa s VAL 17 Ca -0.05 1.84 -0.30 0.00 -2.93 0.00 0.00 61.98 60.54 1owa s VAL 17 Cb -0.12 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.51 1owa s VAL 17 CO -0.18 0.24 1.14 -1.48 -3.33 0.00 0.00 175.10 171.50 1owa s LEU 18 N 0.28 4.32 -0.25 2.54 0.05 -1.26 -5.01 118.68 119.35 1owa s LEU 18 Ca 0.51 1.82 0.02 0.00 0.05 0.00 0.00 54.13 56.53 1owa s LEU 18 Cb -0.25 -3.57 0.06 0.00 -2.05 0.00 0.00 46.19 40.38 1owa s LEU 18 CO 0.31 -0.48 -0.08 -0.70 -0.55 0.00 0.00 176.35 174.84 1owa s GLU 19 N 1.64 1.96 0.09 1.48 2.12 -1.26 -5.04 118.70 119.69 1owa s GLU 19 Ca 0.55 -1.21 0.08 0.00 0.36 0.00 0.00 54.97 54.75 1owa s GLU 19 Cb -0.25 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1owa s GLU 19 CO 0.25 -0.59 -0.17 0.99 -0.54 0.00 0.00 175.26 175.19 1owa s THR 20 N 1.22 2.88 0.02 -1.70 2.01 -1.26 -5.02 115.64 113.79 1owa s THR 20 Ca -0.07 -1.35 -0.24 0.00 0.31 0.00 0.00 61.69 60.33 1owa s THR 20 Cb -0.19 -2.28 -0.18 0.00 0.01 0.00 0.00 72.50 69.85 1owa s THR 20 CO -0.06 0.19 1.40 0.00 -0.69 0.00 0.00 174.62 175.47 1owa h ALA 21 N 4.04 0.04 -0.19 7.40 0.00 -1.99 0.19 119.26 128.75 1owa h ALA 21 Ca -0.49 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.06 1owa h ALA 21 Cb 1.16 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1owa h ALA 21 CO 0.47 -0.27 -0.57 1.05 0.00 0.00 0.00 179.25 179.93 1owa h GLU 22 N -0.29 0.72 -0.25 0.00 4.11 -1.96 1.36 114.58 118.27 1owa h GLU 22 Ca 0.01 -0.52 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 1owa h GLU 22 Cb 0.38 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1owa h GLU 22 CO 0.00 1.14 0.12 0.93 0.07 0.00 0.00 179.01 181.28 1owa h GLU 23 N 0.42 0.36 -0.19 1.06 5.08 -1.96 1.05 114.58 120.40 1owa h GLU 23 Ca -0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1owa h GLU 23 Cb 1.19 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1owa h GLU 23 CO 0.12 0.36 -0.13 0.82 -1.00 0.00 0.00 179.01 179.18 1owa h ILE 24 N 0.28 1.32 -1.00 3.13 2.04 -0.63 -1.75 117.51 120.90 1owa h ILE 24 Ca 0.09 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1owa h ILE 24 Cb 0.12 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1owa h ILE 24 CO -0.01 0.37 0.66 -0.61 0.00 0.00 0.00 178.15 178.56 1owa h GLN 25 N 0.11 1.32 0.01 2.37 4.15 0.21 1.44 115.11 124.71 1owa h GLN 25 Ca 0.04 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1owa h GLN 25 Cb 0.64 -0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1owa h GLN 25 CO 0.04 0.88 -0.00 0.93 -1.93 0.00 0.00 178.83 178.74 1owa h GLU 26 N 1.36 -0.01 -0.30 1.69 4.39 0.12 -1.80 114.58 120.03 1owa h GLU 26 Ca 0.37 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.93 1owa h GLU 26 Cb -0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1owa h GLU 26 CO -0.08 0.33 -0.37 0.00 -1.16 0.00 0.00 179.01 177.74 1owa h ARG 27 N -0.35 0.69 -0.76 2.33 3.08 -1.12 -3.03 114.38 115.22 1owa h ARG 27 Ca -0.00 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1owa h ARG 27 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1owa h ARG 27 CO 0.00 0.95 0.24 0.07 -1.07 0.00 0.00 179.97 180.16 1owa h ARG 28 N 0.58 1.17 -0.31 0.04 0.11 0.20 -0.38 114.38 115.79 1owa h ARG 28 Ca 0.05 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.89 1owa h ARG 28 Cb 0.90 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 1owa h ARG 28 CO 0.08 0.99 0.20 0.37 0.10 0.00 0.00 179.97 181.72 1owa h GLN 29 N 1.13 0.41 -0.28 0.08 5.75 -1.25 0.25 115.11 121.19 1owa h GLN 29 Ca 0.24 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1owa h GLN 29 Cb 0.30 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1owa h GLN 29 CO -0.01 0.27 0.11 1.49 -2.65 0.00 0.00 178.83 178.04 1owa h GLU 30 N 0.42 0.43 -0.91 1.69 4.81 -1.39 -2.56 114.58 117.06 1owa h GLU 30 Ca 0.11 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1owa h GLU 30 Cb -0.05 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1owa h GLU 30 CO -0.03 0.45 0.60 0.28 -0.73 0.00 0.00 179.01 179.59 1owa h VAL 31 N 0.31 1.24 -0.37 0.32 2.07 -0.76 -0.93 116.25 118.13 1owa h VAL 31 Ca 0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1owa h VAL 31 Cb 0.19 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1owa h VAL 31 CO -0.01 0.23 0.24 0.25 0.02 0.00 0.00 177.57 178.30 1owa h LEU 32 N 1.24 0.42 -0.54 2.57 5.85 -0.30 0.27 115.31 124.81 1owa h LEU 32 Ca 0.33 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1owa h LEU 32 Cb -0.14 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1owa h LEU 32 CO -0.07 0.30 -0.11 0.71 -0.34 0.00 0.00 178.44 178.93 1owa h THR 33 N 0.50 1.27 -0.63 1.05 1.35 -1.15 -2.64 112.91 112.66 1owa h THR 33 Ca 0.13 -1.27 -0.09 0.00 -0.55 0.00 0.00 66.41 64.63 1owa h THR 33 Cb -0.06 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1owa h THR 33 CO -0.03 0.45 0.02 0.03 -0.25 0.00 0.00 175.52 175.74 1owa h ARG 34 N 0.91 1.09 -0.05 4.72 3.08 -0.88 -2.08 114.38 121.17 1owa h ARG 34 Ca 0.14 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1owa h ARG 34 Cb 0.68 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1owa h ARG 34 CO 0.05 1.04 0.03 -0.92 -1.07 0.00 0.00 179.97 179.10 1owa h TYR 35 N 1.00 0.06 -0.81 3.04 3.20 -0.34 -0.41 116.97 122.71 1owa h TYR 35 Ca 0.18 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1owa h TYR 35 Cb 0.54 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1owa h TYR 35 CO 0.04 0.03 0.33 0.37 -1.64 0.00 0.00 178.16 177.29 1owa h GLN 36 N 0.06 1.20 -0.92 1.82 5.75 -1.43 -2.56 115.11 119.04 1owa h GLN 36 Ca 0.02 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1owa h GLN 36 Cb -0.00 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 1owa h GLN 36 CO -0.01 0.97 0.53 1.03 -2.65 0.00 0.00 178.83 178.70 1owa h SER 37 N 1.18 1.12 0.02 -0.69 0.87 -1.03 0.79 113.55 115.81 1owa h SER 37 Ca 0.27 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1owa h SER 37 Cb 0.21 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1owa h SER 37 CO -0.02 0.88 -0.01 0.15 -0.53 0.00 0.00 176.83 177.30 1owa h PHE 38 N 1.28 -0.03 -0.68 2.24 3.04 -0.69 0.58 116.94 122.68 1owa h PHE 38 Ca 0.33 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 1owa h PHE 38 Cb -0.01 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1owa h PHE 38 CO 0.01 0.02 0.27 0.87 -2.02 0.00 0.00 178.31 177.45 1owa h LYS 39 N -0.06 1.00 -0.82 1.11 1.57 -1.13 -2.26 116.57 115.98 1owa h LYS 39 Ca -0.00 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1owa h LYS 39 Cb 0.06 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1owa h LYS 39 CO 0.00 0.81 0.54 1.49 -0.57 0.00 0.00 179.45 181.73 1owa h GLU 40 N 0.98 1.08 -0.86 3.15 4.81 0.17 -1.21 114.58 122.69 1owa h GLU 40 Ca 0.23 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1owa h GLU 40 Cb 0.19 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1owa h GLU 40 CO -0.02 0.71 0.43 -0.09 -0.73 0.00 0.00 179.01 179.31 1owa h ARG 41 N 1.11 1.23 -0.53 1.92 2.43 0.69 -2.10 114.38 119.13 1owa h ARG 41 Ca 0.30 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1owa h ARG 41 Cb -0.13 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.18 1owa h ARG 41 CO -0.07 0.94 0.04 0.28 -1.51 0.00 0.00 179.97 179.65 1owa h VAL 42 N 1.22 1.26 -0.74 0.20 2.07 -0.97 -2.71 116.25 116.59 1owa h VAL 42 Ca 0.30 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1owa h VAL 42 Cb 0.10 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1owa h VAL 42 CO -0.04 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.39 1owa h ALA 43 N 0.96 0.94 -0.55 1.67 0.00 -0.92 -2.22 119.26 119.14 1owa h ALA 43 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1owa h ALA 43 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1owa h ALA 43 CO 0.02 0.38 0.36 0.93 0.00 0.00 0.00 179.25 180.95 1owa h GLU 44 N 1.01 0.73 -1.00 0.00 5.08 -1.23 -2.40 114.58 116.76 1owa h GLU 44 Ca 0.27 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1owa h GLU 44 Cb -0.08 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 28.96 1owa h GLU 44 CO -0.05 0.48 0.66 -0.09 -1.00 0.00 0.00 179.01 179.01 1owa h ARG 45 N 0.75 1.32 0.00 2.33 2.43 -1.16 -3.49 114.38 116.56 1owa h ARG 45 Ca 0.20 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1owa h ARG 45 Cb -0.08 -0.30 0.00 0.00 -0.42 0.00 0.00 29.97 29.17 1owa h ARG 45 CO -0.04 0.87 0.00 0.41 -1.51 0.00 0.00 179.97 179.70 1owa n GLY 46 N -1.38 -0.54 3.64 2.80 0.00 -0.87 -4.90 105.19 103.94 1owa n GLY 46 Ca 0.12 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 -4.30 4.08 -0.27 1.61 -0.21 -1.26 -4.99 119.66 114.31 1owa s GLN 47 Ca 0.00 1.20 -0.21 0.00 0.02 0.00 0.00 55.36 56.37 1owa s GLN 47 Cb 0.00 -3.75 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 1owa s GLN 47 CO 0.00 -0.89 0.65 0.15 -2.12 0.00 0.00 175.29 173.08 1owa s LYS 48 N 3.68 4.04 0.14 2.91 1.02 -1.26 -4.94 119.74 125.32 1owa s LYS 48 Ca 0.48 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 56.85 1owa s LYS 48 Cb -0.14 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.44 1owa s LYS 48 CO 0.16 -0.48 1.46 1.25 -0.92 0.00 0.00 175.35 176.81 1owa h LEU 49 N 9.05 1.01 0.76 3.17 5.85 -1.99 -3.46 115.31 129.70 1owa h LEU 49 Ca -0.26 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 57.87 1owa h LEU 49 Cb 1.12 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1owa h LEU 49 CO 0.79 1.28 -0.10 -0.62 -0.34 0.00 0.00 178.44 179.45 1owa n GLU 50 N -4.05 -1.35 0.00 1.25 1.02 -1.26 -4.76 120.64 111.49 1owa n GLU 50 Ca -0.03 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1owa n GLU 50 Cb 0.56 -4.24 0.00 0.00 -0.02 0.00 0.00 31.44 27.74 1owa n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1owa n ASP 51 N 0.58 0.00 -4.74 1.62 8.00 -1.26 -4.92 116.55 115.83 1owa n ASP 51 Ca -0.05 0.17 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 1owa n ASP 51 Cb 0.21 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1owa n ASP 51 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1owa s SER 52 N -2.75 6.92 0.54 -2.24 1.04 -1.26 -4.89 113.70 111.06 1owa s SER 52 Ca 0.00 2.38 0.36 0.00 0.48 0.00 0.00 55.95 59.16 1owa s SER 52 Cb 0.00 -2.61 1.70 0.00 0.10 0.00 0.00 66.02 65.21 1owa s SER 52 CO 0.00 -0.51 2.07 0.22 0.98 0.00 0.00 173.24 176.00 1owa h TYR 53 N 5.38 0.00 -0.87 5.02 3.20 -2.01 -2.88 116.97 124.81 1owa h TYR 53 Ca -0.45 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.43 1owa h TYR 53 Cb 1.21 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 1owa h TYR 53 CO 0.62 0.00 0.58 0.45 -1.64 0.00 0.00 178.16 178.17 1owa h HIS 54 N 0.00 1.10 -0.51 -3.82 3.86 -1.97 0.29 115.15 114.09 1owa h HIS 54 Ca 0.00 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1owa h HIS 54 Cb 0.27 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1owa h HIS 54 CO 0.00 0.69 0.34 -0.07 0.86 0.00 0.00 177.93 179.75 1owa h LEU 55 N 1.18 0.58 -0.86 2.43 -0.00 -1.91 1.21 115.31 117.95 1owa h LEU 55 Ca 0.32 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 58.09 1owa h LEU 55 Cb -0.14 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.36 1owa h LEU 55 CO -0.07 0.42 -0.21 1.56 -0.00 0.00 0.00 178.44 180.15 1owa h GLN 56 N 0.69 0.62 -0.05 1.13 1.08 -1.57 0.62 115.11 117.62 1owa h GLN 56 Ca 0.19 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1owa h GLN 56 Cb -0.08 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1owa h GLN 56 CO -0.04 0.79 0.02 0.28 -0.95 0.00 0.00 178.83 178.92 1owa h VAL 57 N 0.55 1.15 -1.00 -0.54 2.07 0.12 1.32 116.25 119.92 1owa h VAL 57 Ca 0.08 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1owa h VAL 57 Cb 0.66 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1owa h VAL 57 CO 0.05 0.12 0.66 0.15 0.02 0.00 0.00 177.57 178.57 1owa h PHE 58 N -0.08 1.27 -0.81 1.57 3.57 0.17 -0.00 116.94 122.62 1owa h PHE 58 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1owa h PHE 58 Cb 0.18 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1owa h PHE 58 CO -0.01 0.80 0.33 -0.22 -2.23 0.00 0.00 178.31 176.98 1owa h LYS 59 N 1.36 1.21 -0.60 1.11 3.64 0.11 -2.75 116.57 120.65 1owa h LYS 59 Ca 0.37 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1owa h LYS 59 Cb -0.15 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.44 1owa h LYS 59 CO -0.08 0.97 0.16 0.00 -2.27 0.00 0.00 179.45 178.22 1owa h ARG 60 N 1.18 0.96 -0.85 1.90 3.08 0.35 -2.89 114.38 118.10 1owa h ARG 60 Ca 0.27 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1owa h ARG 60 Cb 0.20 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1owa h ARG 60 CO -0.02 0.87 0.40 0.38 -1.07 0.00 0.00 179.97 180.53 1owa h ASP 61 N 0.87 1.12 -0.84 7.04 3.04 -0.90 -0.03 116.42 126.72 1owa h ASP 61 Ca 0.19 -0.14 0.01 0.00 -3.24 0.00 0.00 57.03 53.85 1owa h ASP 61 Cb 0.34 -0.29 -0.04 0.00 -1.04 0.00 0.00 39.33 38.30 1owa h ASP 61 CO 0.00 0.95 0.56 0.00 -2.04 0.00 0.00 179.24 178.70 1owa h ALA 62 N 1.22 1.07 -0.01 4.15 0.00 -1.33 1.81 119.26 126.16 1owa h ALA 62 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1owa h ALA 62 Cb 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1owa h ALA 62 CO -0.04 0.47 -0.02 -0.44 0.00 0.00 0.00 179.25 179.23 1owa h ASP 63 N 1.14 0.04 -0.63 0.00 3.32 -1.28 -1.85 116.42 117.16 1owa h ASP 63 Ca 0.31 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1owa h ASP 63 Cb -0.13 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1owa h ASP 63 CO -0.07 0.55 0.41 0.44 -1.72 0.00 0.00 179.24 178.85 1owa h ASP 64 N -0.46 0.72 -0.07 6.45 3.32 -0.77 0.31 116.42 125.92 1owa h ASP 64 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1owa h ASP 64 Cb 0.54 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1owa h ASP 64 CO 0.00 0.52 0.04 0.25 -1.72 0.00 0.00 179.24 178.34 1owa h LEU 65 N 0.85 0.07 -1.12 1.55 5.85 0.30 0.30 115.31 123.11 1owa h LEU 65 Ca 0.23 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1owa h LEU 65 Cb -0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1owa h LEU 65 CO -0.05 0.05 -0.24 1.23 -0.34 0.00 0.00 178.44 179.09 1owa h GLY 66 N 0.09 0.35 1.01 3.75 0.00 -0.67 -2.59 103.07 105.01 1owa h GLY 66 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1owa h GLY 66 CO -0.01 0.24 0.52 0.50 0.00 0.00 0.00 176.54 177.79 1owa h LYS 67 N 0.29 1.13 -0.88 4.80 1.57 0.89 -1.61 116.57 122.76 1owa h LYS 67 Ca 0.05 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1owa h LYS 67 Cb 0.59 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1owa h LYS 67 CO 0.04 0.79 0.59 2.35 -0.57 0.00 0.00 179.45 182.65 1owa h TRP 68 N 1.15 1.11 -0.52 -1.35 7.01 -0.06 -1.57 115.95 121.73 1owa h TRP 68 Ca 0.30 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.24 1owa h TRP 68 Cb -0.06 -0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 26.61 1owa h TRP 68 CO -0.00 0.70 -0.03 0.82 -2.79 0.00 0.00 178.44 177.13 1owa h ILE 69 N 1.19 1.27 -0.29 2.65 2.04 -1.33 -2.75 117.51 120.28 1owa h ILE 69 Ca 0.32 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1owa h ILE 69 Cb -0.13 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1owa h ILE 69 CO -0.07 0.40 0.19 0.24 0.00 0.00 0.00 178.15 178.91 1owa h MET 70 N 0.80 0.39 -0.07 2.37 2.86 -0.71 0.36 114.93 120.93 1owa h MET 70 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1owa h MET 70 Cb 0.57 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1owa h MET 70 CO 0.03 0.26 0.01 0.93 1.06 0.00 0.00 176.91 179.21 1owa h GLU 71 N 0.40 0.11 -0.23 1.72 4.39 -1.01 0.91 114.58 120.86 1owa h GLU 71 Ca 0.11 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1owa h GLU 71 Cb -0.04 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1owa h GLU 71 CO -0.02 0.31 -0.17 1.57 -1.16 0.00 0.00 179.01 179.53 1owa h LYS 72 N -0.11 0.40 -0.48 2.33 2.10 -1.30 -2.17 116.57 117.33 1owa h LYS 72 Ca 0.02 -0.12 -0.13 0.00 -2.00 0.00 0.00 60.65 58.42 1owa h LYS 72 Cb 0.25 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1owa h LYS 72 CO 0.00 0.56 -0.22 -0.39 -2.00 0.00 0.00 179.45 177.40 1owa h VAL 73 N 0.37 1.27 -0.01 0.07 -1.51 -0.63 0.91 116.25 116.73 1owa h VAL 73 Ca 0.07 -1.39 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1owa h VAL 73 Cb 0.52 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1owa h VAL 73 CO 0.03 0.48 0.00 0.78 -1.23 0.00 0.00 177.57 177.64 1owa h ASN 74 N 0.86 0.01 -0.32 4.19 2.35 -0.51 1.29 115.58 123.45 1owa h ASN 74 Ca 0.11 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 1owa h ASN 74 Cb 0.81 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1owa h ASN 74 CO 0.07 0.06 -0.10 -0.29 -1.65 0.00 0.00 177.43 175.52 1owa h ILE 75 N -0.05 1.25 -0.85 2.81 2.10 -1.34 -0.52 117.51 120.91 1owa h ILE 75 Ca 0.00 -1.14 0.01 0.00 1.08 0.00 0.00 64.86 64.81 1owa h ILE 75 Cb 0.06 1.04 -0.04 0.00 -1.09 0.00 0.00 36.82 36.79 1owa h ILE 75 CO -0.00 0.39 0.56 0.25 -1.08 0.00 0.00 178.15 178.27 1owa h LEU 76 N 0.68 0.98 -1.32 2.19 7.12 0.17 0.13 115.31 125.26 1owa h LEU 76 Ca 0.12 -0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.04 1owa h LEU 76 Cb 0.57 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1owa h LEU 76 CO 0.04 0.71 -0.29 0.74 -0.13 0.00 0.00 178.44 179.51 1owa h THR 77 N 1.16 0.89 -0.19 1.05 2.02 0.22 -3.08 112.91 114.98 1owa h THR 77 Ca 0.31 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1owa h THR 77 Cb -0.13 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1owa h THR 77 CO -0.07 0.29 0.13 -0.78 0.37 0.00 0.00 175.52 175.46 1owa h ASP 78 N 0.00 0.22 0.15 4.18 1.82 0.88 0.04 116.42 123.72 1owa h ASP 78 Ca -0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1owa h ASP 78 Cb 0.66 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1owa h ASP 78 CO 0.04 0.17 -0.04 0.07 -1.61 0.00 0.00 179.24 177.87 1owa h LYS 79 N 0.26 0.00 -0.85 0.28 2.10 -1.40 -1.27 116.57 115.69 1owa h LYS 79 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1owa h LYS 79 Cb -0.02 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.27 1owa h LYS 79 CO -0.02 0.04 0.53 1.03 -2.00 0.00 0.00 179.45 179.03 1owa h SER 80 N 0.00 1.02 -1.01 7.07 0.87 -0.98 -2.21 113.55 118.31 1owa h SER 80 Ca -0.00 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1owa h SER 80 Cb 0.12 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 1owa h SER 80 CO 0.00 0.77 0.67 1.88 -0.53 0.00 0.00 176.83 179.62 1owa h TYR 81 N 1.17 1.27 -0.89 2.24 0.05 -0.97 -3.46 116.97 116.37 1owa h TYR 81 Ca 0.31 0.03 -0.38 0.00 0.05 0.00 0.00 58.73 58.73 1owa h TYR 81 Cb -0.07 -0.43 -0.15 0.00 1.01 0.00 0.00 36.73 37.09 1owa h TYR 81 CO -0.00 0.80 -0.35 0.39 -1.05 0.00 0.00 178.16 177.95 1owa n GLU 82 N -4.38 -1.31 0.19 4.88 1.02 -0.83 -4.90 120.64 115.31 1owa n GLU 82 Ca 0.12 1.16 -0.10 0.00 -0.02 0.00 0.00 57.16 58.33 1owa n GLU 82 Cb 0.01 -5.46 -0.05 0.00 -0.02 0.00 0.00 31.44 25.92 1owa n GLU 82 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1owa h ASP 83 N 0.00 -0.47 -3.92 1.62 3.32 -1.87 -3.45 116.42 111.65 1owa h ASP 83 Ca -0.38 -0.03 -0.47 0.00 0.02 0.00 0.00 57.03 56.16 1owa h ASP 83 Cb 1.23 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1owa h ASP 83 CO 0.56 -0.03 0.23 -2.16 -1.72 0.00 0.00 179.24 176.12 1owa s PRO 84 N -3.54 4.01 -0.20 3.56 0.04 -1.26 -5.03 135.00 132.58 1owa s PRO 84 Ca -0.09 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 61.50 1owa s PRO 84 Cb 0.01 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1owa s PRO 84 CO 0.30 -0.02 0.89 0.99 0.04 0.00 0.00 177.00 179.19 1owa s THR 85 N -2.25 4.82 0.55 1.26 2.01 -1.26 -5.04 115.64 115.73 1owa s THR 85 Ca 0.57 1.74 -0.17 0.00 0.31 0.00 0.00 61.69 64.14 1owa s THR 85 Cb -0.10 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1owa s THR 85 CO 0.22 -0.05 1.02 0.54 -0.69 0.00 0.00 174.62 175.66 1owa s ASN 86 N 1.21 6.20 0.00 3.53 4.22 -1.26 -5.01 114.94 123.83 1owa s ASN 86 Ca 0.39 1.73 0.00 0.00 -2.14 0.00 0.00 52.86 52.85 1owa s ASN 86 Cb -0.16 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 39.84 1owa s ASN 86 CO 0.10 -0.88 0.00 2.30 -2.04 0.00 0.00 177.10 176.58 1owa n ILE 87 N -1.70 0.00 -0.38 0.54 -5.35 -1.26 -5.00 119.36 106.21 1owa n ILE 87 Ca 0.08 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.54 1owa n ILE 87 Cb 0.53 0.00 0.11 0.00 -1.74 0.00 0.00 39.64 38.54 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 -0.36 6.28 4.20 -1.97 -1.80 115.11 122.78 1owa h GLN 88 Ca 0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1owa h GLN 88 Cb 0.00 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 1owa h GLN 88 CO 0.00 0.87 0.11 0.78 -0.67 0.00 0.00 178.83 179.92 1owa h GLY 89 N 1.36 0.60 1.00 3.46 0.00 -1.99 -0.48 103.07 107.01 1owa h GLY 89 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1owa h GLY 89 CO -0.08 0.33 0.40 1.70 0.00 0.00 0.00 176.54 178.89 1owa h LYS 90 N 0.43 0.83 -1.00 4.80 1.63 -1.88 -2.07 116.57 119.30 1owa h LYS 90 Ca 0.12 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1owa h LYS 90 Cb 0.25 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 1owa h LYS 90 CO -0.00 0.56 0.66 -0.92 -3.45 0.00 0.00 179.45 176.30 1owa h TYR 91 N 0.84 1.26 -1.01 1.91 3.20 -1.11 -2.41 116.97 119.66 1owa h TYR 91 Ca 0.23 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1owa h TYR 91 Cb -0.07 -0.43 -0.05 0.00 1.54 0.00 0.00 36.73 37.72 1owa h TYR 91 CO -0.03 0.80 0.67 1.96 -1.64 0.00 0.00 178.16 179.92 1owa h GLN 92 N 1.36 1.33 -0.98 1.82 4.20 -0.41 -1.30 115.11 121.13 1owa h GLN 92 Ca 0.37 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 59.01 1owa h GLN 92 Cb -0.15 -0.30 -0.05 0.00 0.30 0.00 0.00 27.48 27.28 1owa h GLN 92 CO -0.08 0.88 0.65 -0.22 -0.67 0.00 0.00 178.83 179.39 1owa h LYS 93 N 1.37 1.29 -0.56 1.46 3.64 -0.96 -0.95 116.57 121.85 1owa h LYS 93 Ca 0.37 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1owa h LYS 93 Cb -0.16 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.35 1owa h LYS 93 CO -0.08 0.85 -0.09 0.45 -2.27 0.00 0.00 179.45 178.31 1owa h HIS 94 N 1.33 1.17 -0.67 1.91 3.86 -1.30 -2.82 115.15 118.63 1owa h HIS 94 Ca 0.36 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1owa h HIS 94 Cb -0.15 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 27.99 1owa h HIS 94 CO -0.00 1.07 0.45 1.96 0.86 0.00 0.00 177.93 182.26 1owa h GLN 95 N 0.93 0.88 -0.83 2.45 4.20 -0.43 0.13 115.11 122.44 1owa h GLN 95 Ca 0.15 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1owa h GLN 95 Cb 0.67 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1owa h GLN 95 CO 0.05 0.58 0.50 0.77 -0.67 0.00 0.00 178.83 180.07 1owa h SER 96 N 0.91 1.00 0.98 1.46 0.02 -1.10 0.28 113.55 117.10 1owa h SER 96 Ca 0.25 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1owa h SER 96 Cb -0.11 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.18 1owa h SER 96 CO -0.05 0.77 0.00 0.25 -1.14 0.00 0.00 176.83 176.65 1owa h LEU 97 N 1.14 0.00 -0.48 5.07 6.46 -1.17 -2.53 115.31 123.80 1owa h LEU 97 Ca 0.30 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1owa h LEU 97 Cb -0.05 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1owa h LEU 97 CO -0.06 0.00 0.20 -0.08 -0.62 0.00 0.00 178.44 177.89 1owa h GLU 98 N 0.00 0.70 -0.48 1.25 4.57 0.23 0.67 114.58 121.53 1owa h GLU 98 Ca 0.00 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 1owa h GLU 98 Cb 0.49 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1owa h GLU 98 CO 0.00 0.62 -0.04 0.00 -1.18 0.00 0.00 179.01 178.41 1owa h ALA 99 N 1.05 1.01 -0.78 2.92 0.00 -1.13 -2.25 119.26 120.08 1owa h ALA 99 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1owa h ALA 99 Cb 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1owa h ALA 99 CO -0.02 0.60 0.40 0.93 0.00 0.00 0.00 179.25 181.17 1owa h GLU 100 N 0.77 1.10 0.09 0.00 5.08 -0.86 0.63 114.58 121.39 1owa h GLU 100 Ca 0.14 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1owa h GLU 100 Cb 0.53 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1owa h GLU 100 CO 0.03 0.83 -0.05 0.28 -1.00 0.00 0.00 179.01 179.10 1owa h VAL 101 N 1.10 0.91 -0.78 3.13 2.07 0.88 0.96 116.25 124.53 1owa h VAL 101 Ca 0.27 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.74 1owa h VAL 101 Cb 0.07 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1owa h VAL 101 CO -0.04 0.00 0.30 1.56 0.02 0.00 0.00 177.57 179.41 1owa h GLN 102 N -0.13 1.17 -0.42 1.57 4.20 -1.10 -1.60 115.11 118.80 1owa h GLN 102 Ca -0.01 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1owa h GLN 102 Cb 0.10 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1owa h GLN 102 CO 0.02 0.95 0.16 1.15 -0.67 0.00 0.00 178.83 180.45 1owa h THR 103 N 1.14 1.20 -1.00 -0.54 2.02 0.97 -2.66 112.91 114.04 1owa h THR 103 Ca 0.26 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1owa h THR 103 Cb 0.23 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1owa h THR 103 CO -0.02 0.23 0.66 0.50 0.37 0.00 0.00 175.52 177.26 1owa h LYS 104 N 0.54 1.32 -0.97 6.66 1.63 0.13 -2.11 116.57 123.76 1owa h LYS 104 Ca 0.14 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 1owa h LYS 104 Cb 0.20 -0.30 -0.07 0.00 -0.60 0.00 0.00 32.23 31.47 1owa h LYS 104 CO -0.01 0.88 0.63 1.03 -3.45 0.00 0.00 179.45 178.53 1owa h SER 105 N 1.36 1.00 -0.48 4.20 0.87 -0.96 0.90 113.55 120.45 1owa h SER 105 Ca 0.37 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1owa h SER 105 Cb -0.15 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 1owa h SER 105 CO -0.08 0.63 0.01 0.03 -0.53 0.00 0.00 176.83 176.89 1owa h ARG 106 N 1.13 0.90 -0.16 2.24 3.08 -1.17 0.18 114.38 120.59 1owa h ARG 106 Ca 0.42 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1owa h ARG 106 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1owa h ARG 106 CO -0.17 0.89 0.10 1.25 -1.07 0.00 0.00 179.97 180.98 1owa h LEU 107 N 0.84 0.18 -0.61 3.04 5.85 -0.67 1.15 115.31 125.09 1owa h LEU 107 Ca 0.16 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1owa h LEU 107 Cb 0.49 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1owa h LEU 107 CO 0.02 0.13 -0.05 -0.03 -0.34 0.00 0.00 178.44 178.17 1owa h MET 108 N 0.21 1.04 0.02 1.25 4.05 0.15 1.68 114.93 123.34 1owa h MET 108 Ca 0.06 -0.35 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1owa h MET 108 Cb -0.02 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1owa h MET 108 CO -0.01 1.05 -0.01 1.03 0.23 0.00 0.00 176.91 179.20 1owa h SER 109 N 0.94 -0.03 -0.51 1.39 0.87 0.25 -2.38 113.55 114.09 1owa h SER 109 Ca 0.16 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1owa h SER 109 Cb 0.61 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1owa h SER 109 CO 0.04 0.21 0.18 -0.33 -0.53 0.00 0.00 176.83 176.40 1owa h GLU 110 N -0.26 0.84 -0.78 2.24 4.39 0.12 -2.31 114.58 118.81 1owa h GLU 110 Ca -0.00 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 59.59 1owa h GLU 110 Cb 0.25 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1owa h GLU 110 CO 0.00 0.72 0.48 1.25 -1.16 0.00 0.00 179.01 180.31 1owa h LEU 111 N 0.82 0.77 -0.29 1.33 5.85 0.28 1.21 115.31 125.28 1owa h LEU 111 Ca 0.19 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1owa h LEU 111 Cb 0.23 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1owa h LEU 111 CO -0.01 0.51 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.01 1owa h GLU 112 N 0.91 0.68 -0.61 1.25 5.08 -1.20 -2.67 114.58 118.03 1owa h GLU 112 Ca 0.33 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1owa h GLU 112 Cb 0.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1owa h GLU 112 CO -0.15 0.96 0.40 0.87 -1.00 0.00 0.00 179.01 180.09 1owa h LYS 113 N 0.42 0.80 -0.58 2.33 1.57 -0.80 -2.51 116.57 117.79 1owa h LYS 113 Ca 0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1owa h LYS 113 Cb 0.82 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1owa h LYS 113 CO 0.07 0.53 0.39 1.15 -0.57 0.00 0.00 179.45 181.01 1owa h THR 114 N 0.82 1.15 -0.50 -0.16 2.02 0.18 1.42 112.91 117.84 1owa h THR 114 Ca 0.22 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1owa h THR 114 Cb -0.09 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1owa h THR 114 CO -0.05 0.15 0.27 -0.09 0.37 0.00 0.00 175.52 176.17 1owa h ARG 115 N 0.79 0.70 -0.06 6.66 2.43 -1.33 -1.31 114.38 122.26 1owa h ARG 115 Ca 0.21 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1owa h ARG 115 Cb -0.09 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1owa h ARG 115 CO -0.05 0.55 -0.35 0.93 -1.51 0.00 0.00 179.97 179.54 1owa h GLU 116 N 0.66 0.11 -1.01 0.20 5.08 -1.10 -2.87 114.58 115.66 1owa h GLU 116 Ca 0.18 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1owa h GLU 116 Cb 0.05 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1owa h GLU 116 CO -0.03 0.45 0.66 1.49 -1.00 0.00 0.00 179.01 180.58 1owa h GLU 117 N 0.10 1.20 0.00 2.33 4.81 0.31 -3.43 114.58 119.90 1owa h GLU 117 Ca 0.01 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1owa h GLU 117 Cb 0.66 -0.27 0.02 0.00 0.63 0.00 0.00 28.75 29.79 1owa h GLU 117 CO 0.05 0.80 0.03 0.54 -0.73 0.00 0.00 179.01 179.70 1owa n ARG 118 N -4.46 0.24 -2.62 1.92 1.74 -1.02 -5.03 116.66 107.42 1owa n ARG 118 Ca 0.14 -0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 56.45 1owa n ARG 118 Cb 0.13 -0.14 -0.04 0.00 -1.02 0.00 0.00 32.46 31.39 1owa n ARG 118 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1owa s PHE 119 N -0.70 3.68 -0.26 -1.55 -0.12 -1.26 -4.99 117.98 112.78 1owa s PHE 119 Ca 0.10 1.66 -0.29 0.00 -0.05 0.00 0.00 56.93 58.36 1owa s PHE 119 Cb -0.00 -3.18 0.01 0.00 -0.63 0.00 0.00 43.02 39.22 1owa s PHE 119 CO 0.07 -0.25 1.06 0.95 -0.05 0.00 0.00 175.22 176.99 1owa s THR 120 N 0.19 4.61 0.12 -4.49 -4.23 -1.26 -5.00 115.64 105.57 1owa s THR 120 Ca 0.50 1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 62.77 1owa s THR 120 Cb -0.26 -4.34 0.03 0.00 1.34 0.00 0.00 72.50 69.27 1owa s THR 120 CO 0.31 -0.29 0.38 -0.04 -0.54 0.00 0.00 174.62 174.45 1owa s MET 121 N 3.37 1.04 -0.34 3.99 -1.94 -1.26 -5.05 119.30 119.11 1owa s MET 121 Ca 0.45 -0.70 -0.05 0.00 -1.71 0.00 0.00 55.69 53.67 1owa s MET 121 Cb -0.14 0.45 0.01 0.00 2.01 0.00 0.00 34.83 37.16 1owa s MET 121 CO 0.09 -0.40 0.19 0.41 -0.01 0.00 0.00 175.02 175.30 1owa n GLY 122 N -0.15 -3.30 0.34 -0.03 0.00 -1.26 -4.83 105.19 95.96 1owa n GLY 122 Ca -0.16 0.70 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 1owa n GLY 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1owa h HIS 123 N 2.75 1.22 -1.01 1.61 3.86 -2.01 -2.68 115.15 118.90 1owa h HIS 123 Ca -0.01 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1owa h HIS 123 Cb 0.34 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 1owa h HIS 123 CO 0.04 0.92 0.67 1.03 0.86 0.00 0.00 177.93 181.45 1owa h SER 124 N 1.16 1.16 -0.07 2.45 0.87 -2.02 0.14 113.55 117.24 1owa h SER 124 Ca 0.26 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1owa h SER 124 Cb 0.23 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1owa h SER 124 CO -0.02 0.84 0.10 0.00 -0.53 0.00 0.00 176.83 177.22 1owa h ALA 125 N 1.37 1.50 -0.41 6.23 0.00 -1.80 0.39 119.26 126.54 1owa h ALA 125 Ca 0.37 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1owa h ALA 125 Cb -0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1owa h ALA 125 CO -0.08 -0.14 -0.08 0.45 0.00 0.00 0.00 179.25 179.40 1owa h HIS 126 N 0.00 0.88 -0.77 0.00 3.86 -0.68 -2.77 115.15 115.66 1owa h HIS 126 Ca 0.03 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1owa h HIS 126 Cb 0.24 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1owa h HIS 126 CO 0.00 0.90 0.51 0.93 0.86 0.00 0.00 177.93 181.13 1owa h GLU 127 N 0.61 1.02 -0.21 2.45 4.39 -0.85 0.27 114.58 122.25 1owa h GLU 127 Ca 0.11 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1owa h GLU 127 Cb 0.61 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1owa h GLU 127 CO 0.04 0.67 0.13 1.49 -1.16 0.00 0.00 179.01 180.18 1owa h GLU 128 N 1.05 0.28 -0.23 2.33 4.81 -1.41 0.21 114.58 121.61 1owa h GLU 128 Ca 0.28 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1owa h GLU 128 Cb -0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1owa h GLU 128 CO -0.06 0.21 -0.12 1.15 -0.73 0.00 0.00 179.01 179.46 1owa h THR 129 N 0.26 1.31 -0.90 0.32 2.02 -1.22 -0.60 112.91 114.10 1owa h THR 129 Ca 0.07 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1owa h THR 129 Cb 0.00 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1owa h THR 129 CO -0.01 0.37 0.59 0.11 0.37 0.00 0.00 175.52 176.95 1owa h LYS 130 N 0.20 1.18 -0.38 6.66 1.57 -0.33 -0.60 116.57 124.88 1owa h LYS 130 Ca 0.05 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1owa h LYS 130 Cb 0.63 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1owa h LYS 130 CO 0.04 0.79 -0.34 0.00 -0.57 0.00 0.00 179.45 179.37 1owa h ALA 131 N 1.32 0.55 -0.31 3.86 0.00 -0.53 -1.41 119.26 122.75 1owa h ALA 131 Ca 0.33 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1owa h ALA 131 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1owa h ALA 131 CO -0.07 0.61 0.20 1.25 0.00 0.00 0.00 179.25 181.25 1owa h HIS 132 N 0.70 0.39 -0.59 0.00 -0.00 -0.59 -0.61 115.15 114.45 1owa h HIS 132 Ca 0.06 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.34 1owa h HIS 132 Cb 0.93 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 1owa h HIS 132 CO 0.06 0.24 -0.05 0.97 -0.00 0.00 0.00 177.93 179.16 1owa h ILE 133 N 0.42 1.27 -0.91 6.26 2.10 -1.10 -2.51 117.51 123.04 1owa h ILE 133 Ca 0.11 -1.21 -0.01 0.00 1.08 0.00 0.00 64.86 64.83 1owa h ILE 133 Cb -0.05 0.86 -0.04 0.00 -1.09 0.00 0.00 36.82 36.50 1owa h ILE 133 CO -0.02 0.44 0.51 -0.33 -1.08 0.00 0.00 178.15 177.66 1owa h GLU 134 N 0.96 1.26 -0.51 2.19 5.08 -0.91 -0.38 114.58 122.27 1owa h GLU 134 Ca 0.16 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1owa h GLU 134 Cb 0.62 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1owa h GLU 134 CO 0.04 0.91 -0.17 1.49 -1.00 0.00 0.00 179.01 180.28 1owa h GLU 135 N 1.26 1.01 -0.56 2.33 4.81 -0.98 -2.86 114.58 119.59 1owa h GLU 135 Ca 0.32 -0.41 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1owa h GLU 135 Cb 0.01 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1owa h GLU 135 CO -0.05 1.09 -0.09 -0.07 -0.73 0.00 0.00 179.01 179.16 1owa h LEU 136 N 0.88 1.05 -0.94 1.64 4.07 -1.11 -3.00 115.31 117.90 1owa h LEU 136 Ca 0.12 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 1owa h LEU 136 Cb 0.75 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1owa h LEU 136 CO 0.06 1.14 0.43 0.08 -1.08 0.00 0.00 178.44 179.07 1owa h ARG 137 N 0.94 1.18 -0.71 1.13 0.11 -1.01 -1.05 114.38 114.97 1owa h ARG 137 Ca 0.15 -0.15 0.01 0.00 0.10 0.00 0.00 59.98 60.08 1owa h ARG 137 Cb 0.66 -0.22 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 1owa h ARG 137 CO 0.05 0.88 0.47 1.25 0.10 0.00 0.00 179.97 182.72 1owa h HIS 138 N 1.18 0.90 -0.87 4.08 2.76 -1.39 -1.41 115.15 120.38 1owa h HIS 138 Ca 0.29 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 1owa h HIS 138 Cb 0.07 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 1owa h HIS 138 CO 0.01 0.56 0.45 1.25 -1.30 0.00 0.00 177.93 178.90 1owa h LEU 139 N 0.97 1.12 -0.85 0.26 5.85 -1.29 -2.45 115.31 118.92 1owa h LEU 139 Ca 0.26 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1owa h LEU 139 Cb -0.11 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.58 1owa h LEU 139 CO -0.06 0.92 0.54 -0.50 -0.34 0.00 0.00 178.44 179.01 1owa h TRP 140 N 1.24 1.02 -0.44 1.25 4.06 -0.21 -1.04 115.95 121.83 1owa h TRP 140 Ca 0.30 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.28 1owa h TRP 140 Cb 0.08 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 1owa h TRP 140 CO 0.01 0.57 0.29 -0.44 -3.56 0.00 0.00 178.44 175.31 1owa h ASP 141 N 1.04 0.50 -0.51 -3.49 3.32 -0.82 0.17 116.42 116.63 1owa h ASP 141 Ca 0.35 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.39 1owa h ASP 141 Cb 0.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1owa h ASP 141 CO -0.13 0.36 0.34 0.25 -1.72 0.00 0.00 179.24 178.34 1owa h LEU 142 N 0.59 0.59 -1.01 1.55 5.85 -1.26 -1.97 115.31 119.64 1owa h LEU 142 Ca 0.16 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1owa h LEU 142 Cb -0.07 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1owa h LEU 142 CO -0.04 0.43 0.67 -0.07 -0.34 0.00 0.00 178.44 179.09 1owa h LEU 143 N 0.69 1.16 -0.19 2.25 3.38 -0.59 0.52 115.31 122.54 1owa h LEU 143 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1owa h LEU 143 Cb -0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1owa h LEU 143 CO -0.04 0.84 0.13 -0.07 0.09 0.00 0.00 178.44 179.38 1owa h LEU 144 N 1.37 0.22 -0.99 1.67 3.38 -0.13 0.67 115.31 121.50 1owa h LEU 144 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1owa h LEU 144 Cb -0.16 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1owa h LEU 144 CO -0.08 0.16 0.64 -0.33 0.09 0.00 0.00 178.44 178.91 1owa h GLU 145 N 0.26 1.32 -0.96 1.13 5.08 -0.74 -0.51 114.58 120.16 1owa h GLU 145 Ca 0.07 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1owa h GLU 145 Cb -0.03 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 28.88 1owa h GLU 145 CO -0.02 0.89 0.61 -0.07 -1.00 0.00 0.00 179.01 179.43 1owa h LEU 146 N 1.35 1.12 -0.15 1.33 3.38 0.20 1.01 115.31 123.54 1owa h LEU 146 Ca 0.36 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1owa h LEU 146 Cb -0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 1owa h LEU 146 CO -0.07 0.83 -0.04 0.74 0.09 0.00 0.00 178.44 179.98 1owa h THR 147 N 1.31 1.29 -0.95 0.22 2.02 0.10 -1.41 112.91 115.49 1owa h THR 147 Ca 0.35 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1owa h THR 147 Cb -0.12 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1owa h THR 147 CO -0.07 0.30 0.63 -0.07 0.37 0.00 0.00 175.52 176.68 1owa h LEU 148 N -0.00 1.09 -0.73 2.58 3.38 -0.76 -2.16 115.31 118.71 1owa h LEU 148 Ca 0.04 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1owa h LEU 148 Cb 0.48 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1owa h LEU 148 CO 0.02 0.79 0.48 -0.08 0.09 0.00 0.00 178.44 179.73 1owa h GLU 149 N 1.29 0.96 -0.66 1.13 4.81 0.14 -2.42 114.58 119.82 1owa h GLU 149 Ca 0.35 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1owa h GLU 149 Cb -0.14 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 28.99 1owa h GLU 149 CO -0.08 0.64 0.32 -0.22 -0.73 0.00 0.00 179.01 178.94 1owa h LYS 150 N 0.99 0.95 -0.06 1.92 3.64 -0.64 -2.23 116.57 121.14 1owa h LYS 150 Ca 0.27 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1owa h LYS 150 Cb -0.11 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 1owa h LYS 150 CO -0.06 0.75 0.04 0.78 -2.27 0.00 0.00 179.45 178.69 1owa h GLY 151 N 0.92 0.00 1.00 5.01 0.00 -1.02 -0.11 103.07 108.88 1owa h GLY 151 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1owa h GLY 151 CO -0.03 0.00 0.06 -1.80 0.00 0.00 0.00 176.54 174.77 1owa h ASP 152 N 0.00 0.10 0.23 0.19 1.82 -1.02 0.47 116.42 118.20 1owa h ASP 152 Ca 0.03 -0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.56 1owa h ASP 152 Cb 0.11 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1owa h ASP 152 CO -0.00 0.07 -0.39 1.56 -1.61 0.00 0.00 179.24 178.87 1owa h GLN 153 N 0.11 0.22 0.00 0.28 4.20 -1.35 -2.40 115.11 116.17 1owa h GLN 153 Ca 0.03 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1owa h GLN 153 Cb -0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1owa h GLN 153 CO -0.01 0.58 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.44 1owa h LEU 154 N 0.19 0.00 -9.70 1.46 3.38 0.05 -3.44 115.31 107.25 1owa h LEU 154 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 1owa h LEU 154 Cb 0.77 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.58 1owa h LEU 154 CO 0.06 0.23 0.88 -0.76 0.09 0.00 0.00 178.44 178.94 1owa s LEU 155 N -7.05 4.37 0.00 1.67 1.43 0.15 -5.05 118.68 114.20 1owa s LEU 155 Ca -0.01 2.76 0.27 0.00 -1.03 0.00 0.00 54.13 56.13 1owa s LEU 155 Cb 0.11 -3.61 0.93 0.00 0.03 0.00 0.00 46.19 43.65 1owa s LEU 155 CO 0.63 -0.85 1.67 -2.11 0.23 0.00 0.00 176.35 175.93