#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 -2.01 -2.33 0.03 1.02 -1.26 -4.95 120.64 111.14 1owa n GLU 2 Ca 0.00 1.88 -0.40 0.00 -0.02 0.00 0.00 57.16 58.62 1owa n GLU 2 Cb 0.00 -5.10 -0.03 0.00 -0.02 0.00 0.00 31.44 26.29 1owa n GLU 2 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1owa s GLN 3 N -2.41 4.37 -0.01 3.49 -0.21 -1.26 -5.01 119.66 118.62 1owa s GLN 3 Ca 0.20 1.91 -0.24 0.00 0.02 0.00 0.00 55.36 57.26 1owa s GLN 3 Cb -0.06 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 1owa s GLN 3 CO 0.66 -0.06 0.72 -0.59 -2.12 0.00 0.00 175.29 173.90 1owa s PHE 4 N -1.25 3.66 0.41 0.91 -0.12 -1.26 -5.05 117.98 115.28 1owa s PHE 4 Ca 0.50 1.35 -0.24 0.00 -0.05 0.00 0.00 56.93 58.49 1owa s PHE 4 Cb -0.33 -2.79 -0.08 0.00 -0.63 0.00 0.00 43.02 39.18 1owa s PHE 4 CO 0.43 0.20 1.10 -1.25 -0.05 0.00 0.00 175.22 175.65 1owa s PRO 5 N 0.30 4.05 0.01 1.99 0.04 -1.26 -4.86 135.00 135.26 1owa s PRO 5 Ca 0.37 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1owa s PRO 5 Cb -0.19 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1owa s PRO 5 CO 0.20 -0.27 0.00 1.63 0.04 0.00 0.00 177.00 178.60 1owa n LYS 6 N -0.16 -0.12 -3.00 4.56 5.02 -1.26 -4.84 118.16 118.38 1owa n LYS 6 Ca 0.05 0.08 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 1owa n LYS 6 Cb 0.49 -0.14 -0.05 0.00 -0.02 0.00 0.00 35.03 35.31 1owa n LYS 6 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1owa s GLU 7 N -1.05 4.36 -0.01 1.97 2.12 -1.26 -5.03 118.70 119.79 1owa s GLU 7 Ca 0.00 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 55.93 1owa s GLU 7 Cb 0.00 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1owa s GLU 7 CO 0.00 -0.12 0.98 0.95 -0.54 0.00 0.00 175.26 176.53 1owa s THR 8 N 1.44 4.87 -0.27 -1.70 -4.23 -1.26 -5.02 115.64 109.46 1owa s THR 8 Ca 0.37 2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 62.77 1owa s THR 8 Cb -0.17 -4.32 -0.03 0.00 1.34 0.00 0.00 72.50 69.32 1owa s THR 8 CO 0.15 0.15 0.43 -0.69 -0.54 0.00 0.00 174.62 174.12 1owa s VAL 9 N 1.07 5.13 -0.24 2.29 1.01 -1.26 -5.05 120.40 123.36 1owa s VAL 9 Ca 0.52 0.69 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 1owa s VAL 9 Cb -0.21 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1owa s VAL 9 CO 0.27 0.13 0.89 -0.69 0.00 0.00 0.00 175.10 175.70 1owa s VAL 10 N 2.16 4.79 -0.27 2.92 1.01 -1.26 -5.01 120.40 124.75 1owa s VAL 10 Ca 0.17 1.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.79 1owa s VAL 10 Cb -0.16 -4.17 0.14 0.00 0.00 0.00 0.00 36.38 32.19 1owa s VAL 10 CO 0.10 -0.10 0.56 -1.61 0.00 0.00 0.00 175.10 174.05 1owa s GLU 11 N 2.93 0.50 -0.29 2.72 2.02 -1.26 -5.07 118.70 120.25 1owa s GLU 11 Ca 0.37 1.15 0.05 0.00 0.02 0.00 0.00 54.97 56.57 1owa s GLU 11 Cb -0.15 0.54 0.19 0.00 0.10 0.00 0.00 34.13 34.81 1owa s GLU 11 CO 0.07 -0.37 0.54 0.45 0.02 0.00 0.00 175.26 175.97 1owa s SER 12 N 2.79 -1.13 -1.79 -0.19 0.15 -1.26 -4.91 113.70 107.36 1owa s SER 12 Ca 0.04 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1owa s SER 12 Cb -0.13 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1owa s SER 12 CO -0.18 -0.31 0.00 -0.24 1.20 0.00 0.00 173.24 173.71 1owa n SER 13 N 5.40 -5.37 -4.36 5.45 2.88 -1.26 -4.95 113.62 111.41 1owa n SER 13 Ca 0.04 0.19 -0.40 0.00 -1.33 0.00 0.00 58.87 57.36 1owa n SER 13 Cb 0.53 -4.59 -0.11 0.00 -0.75 0.00 0.00 64.21 59.29 1owa n SER 13 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1owa s GLY 14 N -2.26 1.93 1.05 0.46 0.00 -1.26 -5.09 107.32 102.15 1owa s GLY 14 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 42.85 1owa s GLY 14 CO 0.00 0.85 1.09 -4.14 0.00 0.00 0.00 173.10 170.90 1owa s PRO 15 N 1.54 -0.01 0.52 2.90 0.02 -1.26 -4.98 135.00 133.73 1owa s PRO 15 Ca 0.02 1.21 -0.19 0.00 0.02 0.00 0.00 61.00 62.06 1owa s PRO 15 Cb -0.19 -1.63 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 1owa s PRO 15 CO 0.06 -3.22 1.05 0.15 -0.33 0.00 0.00 177.00 174.70 1owa s LYS 16 N -4.54 3.63 0.07 5.54 1.02 -1.26 -4.99 119.74 119.22 1owa s LYS 16 Ca 0.68 1.31 -0.31 0.00 0.02 0.00 0.00 55.97 57.67 1owa s LYS 16 Cb -0.24 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.94 1owa s LYS 16 CO 0.61 -0.57 1.25 0.08 -0.92 0.00 0.00 175.35 175.81 1owa s VAL 17 N -2.15 3.85 -0.22 3.17 1.01 -1.26 -4.97 120.40 119.84 1owa s VAL 17 Ca 0.66 1.33 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 1owa s VAL 17 Cb -0.16 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1owa s VAL 17 CO 0.26 0.10 1.23 -0.76 0.00 0.00 0.00 175.10 175.93 1owa s LEU 18 N 1.10 4.07 -0.25 3.92 1.43 -1.26 -4.98 118.68 122.71 1owa s LEU 18 Ca 0.60 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 1owa s LEU 18 Cb -0.31 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.43 1owa s LEU 18 CO 0.29 -0.84 -0.08 -0.70 0.23 0.00 0.00 176.35 175.25 1owa s GLU 19 N 3.65 1.95 0.31 1.70 2.12 -1.26 -5.10 118.70 122.08 1owa s GLU 19 Ca 0.53 -1.21 -0.11 0.00 0.36 0.00 0.00 54.97 54.54 1owa s GLU 19 Cb -0.19 -2.77 -0.07 0.00 0.26 0.00 0.00 34.13 31.36 1owa s GLU 19 CO 0.16 -0.59 0.67 0.99 -0.54 0.00 0.00 175.26 175.94 1owa s THR 20 N 1.22 4.83 0.12 -1.70 2.01 -1.26 -4.91 115.64 115.95 1owa s THR 20 Ca -0.07 0.61 -0.18 0.00 0.31 0.00 0.00 61.69 62.35 1owa s THR 20 Cb -0.19 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1owa s THR 20 CO -0.06 -0.26 1.72 0.00 -0.69 0.00 0.00 174.62 175.33 1owa h ALA 21 N 2.00 0.37 -0.34 7.40 0.00 -1.99 1.70 119.26 128.40 1owa h ALA 21 Ca -0.47 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1owa h ALA 21 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1owa h ALA 21 CO 0.66 -0.09 -0.42 1.05 0.00 0.00 0.00 179.25 180.45 1owa h GLU 22 N 0.35 0.85 -0.25 0.00 4.11 -1.95 1.82 114.58 119.52 1owa h GLU 22 Ca 0.10 -0.46 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1owa h GLU 22 Cb 0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1owa h GLU 22 CO -0.02 1.10 0.16 1.49 0.07 0.00 0.00 179.01 181.82 1owa h GLU 23 N 0.69 0.33 -0.35 1.06 4.81 -1.77 1.41 114.58 120.75 1owa h GLU 23 Ca 0.05 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1owa h GLU 23 Cb 0.99 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1owa h GLU 23 CO 0.10 0.23 -0.15 0.82 -0.73 0.00 0.00 179.01 179.27 1owa h ILE 24 N 0.33 1.29 -0.97 2.32 2.04 0.27 -2.82 117.51 119.96 1owa h ILE 24 Ca 0.09 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1owa h ILE 24 Cb -0.02 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1owa h ILE 24 CO -0.02 0.41 0.64 -0.61 0.00 0.00 0.00 178.15 178.58 1owa h GLN 25 N 0.50 1.28 -0.01 2.37 4.15 0.34 1.25 115.11 124.99 1owa h GLN 25 Ca 0.08 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1owa h GLN 25 Cb 0.69 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1owa h GLN 25 CO 0.05 0.85 0.01 1.49 -1.93 0.00 0.00 178.83 179.29 1owa h GLU 26 N 1.32 0.01 -0.63 1.69 4.81 0.20 0.93 114.58 122.91 1owa h GLU 26 Ca 0.36 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1owa h GLU 26 Cb -0.15 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1owa h GLU 26 CO -0.08 0.02 0.06 -0.09 -0.73 0.00 0.00 179.01 178.20 1owa h ARG 27 N -0.00 1.06 -0.36 1.92 2.43 -1.22 -2.26 114.38 115.94 1owa h ARG 27 Ca 0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1owa h ARG 27 Cb 0.01 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1owa h ARG 27 CO -0.00 1.00 0.24 -0.09 -1.51 0.00 0.00 179.97 179.61 1owa h ARG 28 N 0.98 0.47 -0.84 0.20 2.43 0.24 -1.83 114.38 116.04 1owa h ARG 28 Ca 0.19 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1owa h ARG 28 Cb 0.48 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1owa h ARG 28 CO 0.02 0.31 0.49 1.96 -1.51 0.00 0.00 179.97 181.25 1owa h GLN 29 N 0.49 1.14 -0.51 0.20 4.20 0.11 -2.36 115.11 118.38 1owa h GLN 29 Ca 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1owa h GLN 29 Cb -0.05 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 1owa h GLN 29 CO -0.03 0.81 0.31 0.93 -0.67 0.00 0.00 178.83 180.18 1owa h GLU 30 N 1.15 0.68 -0.01 1.46 5.08 -1.02 0.11 114.58 122.04 1owa h GLU 30 Ca 0.30 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1owa h GLU 30 Cb -0.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1owa h GLU 30 CO -0.05 0.49 0.00 0.28 -1.00 0.00 0.00 179.01 178.73 1owa h VAL 31 N 0.68 1.00 -0.70 3.13 2.07 -1.03 0.26 116.25 121.66 1owa h VAL 31 Ca 0.18 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1owa h VAL 31 Cb -0.03 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1owa h VAL 31 CO -0.04 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.89 1owa h LEU 32 N 0.01 0.86 -0.85 2.57 3.38 -1.24 -2.52 115.31 117.52 1owa h LEU 32 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1owa h LEU 32 Cb 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1owa h LEU 32 CO -0.00 0.69 0.46 0.74 0.09 0.00 0.00 178.44 180.42 1owa h THR 33 N 0.95 1.25 -0.33 0.22 2.02 -0.49 -2.13 112.91 114.40 1owa h THR 33 Ca 0.25 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1owa h THR 33 Cb 0.01 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1owa h THR 33 CO -0.04 0.28 0.22 -0.09 0.37 0.00 0.00 175.52 176.26 1owa h ARG 34 N 1.19 0.44 -0.46 6.66 2.43 -0.53 0.82 114.38 124.94 1owa h ARG 34 Ca 0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1owa h ARG 34 Cb 0.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1owa h ARG 34 CO -0.05 0.30 0.30 1.88 -1.51 0.00 0.00 179.97 180.89 1owa h TYR 35 N 0.45 0.58 -0.51 2.20 0.05 -1.24 -1.46 116.97 117.04 1owa h TYR 35 Ca 0.12 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 1owa h TYR 35 Cb -0.04 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1owa h TYR 35 CO -0.05 0.37 -0.04 0.37 -1.05 0.00 0.00 178.16 177.76 1owa h GLN 36 N 0.62 0.88 -0.98 4.88 4.15 -1.04 -2.89 115.11 120.73 1owa h GLN 36 Ca 0.17 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1owa h GLN 36 Cb -0.07 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.49 1owa h GLN 36 CO -0.04 0.90 0.63 1.03 -1.93 0.00 0.00 178.83 179.42 1owa h SER 37 N 0.81 1.15 -0.13 -0.69 0.87 0.13 1.04 113.55 116.72 1owa h SER 37 Ca 0.15 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1owa h SER 37 Cb 0.54 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1owa h SER 37 CO 0.03 0.86 0.08 -0.26 -0.53 0.00 0.00 176.83 177.01 1owa h PHE 38 N 1.34 0.18 -0.78 2.24 0.04 -1.08 0.96 116.94 119.84 1owa h PHE 38 Ca 0.36 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 1owa h PHE 38 Cb -0.11 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1owa h PHE 38 CO 0.00 0.16 0.38 0.87 -0.60 0.00 0.00 178.31 179.12 1owa h LYS 39 N 0.14 1.12 -1.00 1.51 1.57 -1.32 -1.78 116.57 116.82 1owa h LYS 39 Ca 0.05 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1owa h LYS 39 Cb 0.03 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 1owa h LYS 39 CO -0.01 0.86 0.66 1.49 -0.57 0.00 0.00 179.45 181.88 1owa h GLU 40 N 1.11 1.32 -1.00 3.15 4.81 0.25 -2.28 114.58 121.92 1owa h GLU 40 Ca 0.27 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1owa h GLU 40 Cb 0.11 -0.30 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 1owa h GLU 40 CO -0.04 0.87 0.66 0.00 -0.73 0.00 0.00 179.01 179.78 1owa h ARG 41 N 1.36 1.27 -0.34 1.92 3.08 0.18 0.23 114.38 122.08 1owa h ARG 41 Ca 0.37 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1owa h ARG 41 Cb -0.16 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.59 1owa h ARG 41 CO -0.08 0.84 0.22 0.28 -1.07 0.00 0.00 179.97 180.17 1owa h VAL 42 N 1.31 1.09 -0.85 2.04 2.07 -1.21 -2.09 116.25 118.60 1owa h VAL 42 Ca 0.39 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 1owa h VAL 42 Cb -0.07 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1owa h VAL 42 CO -0.11 0.08 0.40 0.00 0.02 0.00 0.00 177.57 177.97 1owa h ALA 43 N 1.12 1.11 -0.21 1.67 0.00 -1.13 -2.06 119.26 119.76 1owa h ALA 43 Ca 0.12 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1owa h ALA 43 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1owa h ALA 43 CO -0.03 0.67 0.23 0.93 0.00 0.00 0.00 179.25 181.05 1owa h GLU 44 N 1.21 0.00 -1.01 0.00 5.08 0.09 -1.18 114.58 118.78 1owa h GLU 44 Ca 0.29 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1owa h GLU 44 Cb 0.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1owa h GLU 44 CO -0.04 0.00 0.66 0.00 -1.00 0.00 0.00 179.01 178.63 1owa h ARG 45 N 0.00 1.23 0.00 2.33 3.08 -0.95 -3.46 114.38 116.61 1owa h ARG 45 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1owa h ARG 45 Cb 0.55 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1owa h ARG 45 CO -0.00 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 1owa n GLY 46 N -1.37 1.19 3.63 0.04 0.00 -0.45 -5.07 105.19 103.16 1owa n GLY 46 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.60 3.92 -0.36 1.61 -0.21 -1.26 -4.99 119.66 117.76 1owa s GLN 47 Ca 0.00 1.07 -0.20 0.00 0.02 0.00 0.00 55.36 56.25 1owa s GLN 47 Cb 0.00 -3.85 0.00 0.00 1.00 0.00 0.00 33.01 30.17 1owa s GLN 47 CO 0.00 -1.11 0.63 -1.59 -2.12 0.00 0.00 175.29 171.10 1owa s LYS 48 N 4.09 3.64 0.00 2.91 -2.85 -1.26 -4.96 119.74 121.31 1owa s LYS 48 Ca 0.52 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.50 1owa s LYS 48 Cb -0.14 -3.82 0.00 0.00 -2.06 0.00 0.00 37.83 31.81 1owa s LYS 48 CO 0.22 -0.75 0.00 -0.11 0.10 0.00 0.00 175.35 174.81 1owa n LEU 49 N 6.05 1.50 0.07 2.77 7.94 -1.26 -4.80 117.00 129.26 1owa n LEU 49 Ca -0.01 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.77 1owa n LEU 49 Cb 0.49 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.36 1owa n LEU 49 CO 0.49 0.00 0.43 -0.08 -1.11 0.00 0.00 177.39 177.12 1owa h GLU 50 N 0.00 -0.24 0.00 1.96 4.81 -2.06 -3.49 114.58 115.56 1owa h GLU 50 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1owa h GLU 50 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1owa h GLU 50 CO 0.00 0.18 0.00 -3.47 -0.73 0.00 0.00 179.01 174.99 1owa n ASP 51 N -4.96 0.00 -4.72 1.04 -0.08 -1.26 -5.13 116.55 101.44 1owa n ASP 51 Ca -0.08 -0.42 -0.42 0.00 -1.51 0.00 0.00 54.79 52.36 1owa n ASP 51 Cb 0.26 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 1owa n ASP 51 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1owa s SER 52 N 0.63 6.85 0.65 1.67 0.01 -1.26 -4.76 113.70 117.48 1owa s SER 52 Ca 0.00 2.31 0.43 0.00 1.31 0.00 0.00 55.95 60.00 1owa s SER 52 Cb 0.00 -2.59 2.33 0.00 0.21 0.00 0.00 66.02 65.98 1owa s SER 52 CO 0.00 -0.63 2.31 0.22 0.41 0.00 0.00 173.24 175.55 1owa h TYR 53 N 6.70 0.00 -1.01 2.43 5.03 -1.97 -2.52 116.97 125.64 1owa h TYR 53 Ca -0.42 0.00 0.02 0.00 2.58 0.00 0.00 58.73 60.91 1owa h TYR 53 Cb 1.21 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 1owa h TYR 53 CO 0.66 0.00 0.67 1.25 -1.32 0.00 0.00 178.16 179.41 1owa h HIS 54 N 0.00 1.26 -0.55 -3.82 2.76 -1.98 0.73 115.15 113.55 1owa h HIS 54 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1owa h HIS 54 Cb 0.03 -0.42 -0.03 0.00 1.55 0.00 0.00 27.41 28.54 1owa h HIS 54 CO 0.00 0.76 0.36 1.25 -1.30 0.00 0.00 177.93 179.00 1owa h LEU 55 N 1.33 0.63 -1.35 0.26 5.85 -1.85 0.13 115.31 120.32 1owa h LEU 55 Ca 0.38 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1owa h LEU 55 Cb -0.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1owa h LEU 55 CO -0.10 0.47 0.18 1.56 -0.34 0.00 0.00 178.44 180.21 1owa h GLN 56 N 0.74 0.63 -0.76 1.25 4.20 -1.33 -0.01 115.11 119.83 1owa h GLN 56 Ca 0.20 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1owa h GLN 56 Cb -0.08 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1owa h GLN 56 CO -0.04 0.51 0.50 0.28 -0.67 0.00 0.00 178.83 179.41 1owa h VAL 57 N 0.62 1.20 -0.99 -0.54 2.07 0.29 1.55 116.25 120.45 1owa h VAL 57 Ca 0.15 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1owa h VAL 57 Cb 0.12 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 1owa h VAL 57 CO -0.02 0.19 0.65 0.15 0.02 0.00 0.00 177.57 178.57 1owa h PHE 58 N 1.03 1.25 -0.74 1.57 3.04 0.42 0.26 116.94 123.78 1owa h PHE 58 Ca 0.28 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.19 1owa h PHE 58 Cb -0.11 -0.42 -0.03 0.00 2.56 0.00 0.00 35.95 37.95 1owa h PHE 58 CO -0.02 0.79 0.21 -0.22 -2.02 0.00 0.00 178.31 177.05 1owa h LYS 59 N 1.34 1.16 -0.99 1.11 3.64 0.13 -2.64 116.57 120.32 1owa h LYS 59 Ca 0.36 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1owa h LYS 59 Cb -0.15 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.46 1owa h LYS 59 CO -0.08 1.00 0.63 -0.09 -2.27 0.00 0.00 179.45 178.65 1owa h ARG 60 N 1.11 1.31 -0.97 1.90 2.43 0.39 -2.19 114.38 118.36 1owa h ARG 60 Ca 0.23 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1owa h ARG 60 Cb 0.34 -0.29 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1owa h ARG 60 CO -0.00 0.89 0.64 -0.44 -1.51 0.00 0.00 179.97 179.55 1owa h ASP 61 N 1.35 1.12 -1.01 -3.80 3.32 -0.71 0.26 116.42 116.94 1owa h ASP 61 Ca 0.36 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.39 1owa h ASP 61 Cb -0.12 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.10 1owa h ASP 61 CO -0.07 0.81 0.67 0.00 -1.72 0.00 0.00 179.24 178.92 1owa h ALA 62 N 1.39 1.29 -0.22 3.45 0.00 -1.21 1.37 119.26 125.33 1owa h ALA 62 Ca 0.36 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1owa h ALA 62 Cb -0.15 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.23 1owa h ALA 62 CO -0.08 0.65 -0.17 -0.44 0.00 0.00 0.00 179.25 179.22 1owa h ASP 63 N 1.36 0.53 -0.82 0.00 3.32 -1.18 -0.33 116.42 119.29 1owa h ASP 63 Ca 0.37 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1owa h ASP 63 Cb -0.14 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1owa h ASP 63 CO -0.09 0.86 0.54 0.44 -1.72 0.00 0.00 179.24 179.28 1owa h ASP 64 N 0.19 0.94 -0.09 6.45 3.32 -0.29 1.06 116.42 128.00 1owa h ASP 64 Ca 0.04 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1owa h ASP 64 Cb 0.69 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1owa h ASP 64 CO 0.04 0.69 0.06 0.25 -1.72 0.00 0.00 179.24 178.56 1owa h LEU 65 N 1.11 0.10 -1.23 1.55 6.46 0.22 0.56 115.31 124.08 1owa h LEU 65 Ca 0.30 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.99 1owa h LEU 65 Cb -0.12 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1owa h LEU 65 CO -0.06 0.08 -0.20 1.23 -0.62 0.00 0.00 178.44 178.86 1owa h GLY 66 N 0.12 0.30 1.00 3.75 0.00 0.03 -2.22 103.07 106.05 1owa h GLY 66 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1owa h GLY 66 CO -0.01 0.19 0.67 0.50 0.00 0.00 0.00 176.54 177.89 1owa h LYS 67 N 0.25 1.32 -0.68 4.80 1.57 0.24 -0.41 116.57 123.67 1owa h LYS 67 Ca 0.04 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1owa h LYS 67 Cb 0.51 -0.30 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1owa h LYS 67 CO 0.03 0.87 0.45 2.35 -0.57 0.00 0.00 179.45 182.58 1owa h TRP 68 N 1.36 0.85 -0.73 -1.35 7.01 -0.30 0.42 115.95 123.20 1owa h TRP 68 Ca 0.37 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.32 1owa h TRP 68 Cb -0.15 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.59 1owa h TRP 68 CO -0.00 0.54 0.20 0.82 -2.79 0.00 0.00 178.44 177.20 1owa h ILE 69 N 0.92 1.26 -0.23 2.65 2.04 -1.30 -1.73 117.51 121.12 1owa h ILE 69 Ca 0.25 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1owa h ILE 69 Cb -0.11 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1owa h ILE 69 CO -0.05 0.37 0.09 0.24 0.00 0.00 0.00 178.15 178.80 1owa h MET 70 N 1.10 0.32 -0.04 2.37 2.86 0.05 0.23 114.93 121.81 1owa h MET 70 Ca 0.23 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1owa h MET 70 Cb 0.35 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1owa h MET 70 CO -0.00 0.27 -0.01 0.93 1.06 0.00 0.00 176.91 179.15 1owa h GLU 71 N 0.32 0.08 -0.59 1.72 5.08 0.67 -1.57 114.58 120.30 1owa h GLU 71 Ca 0.08 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1owa h GLU 71 Cb 0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1owa h GLU 71 CO -0.01 0.44 0.08 -0.22 -1.00 0.00 0.00 179.01 178.30 1owa h LYS 72 N -0.28 0.97 -0.44 2.33 3.64 -0.98 -2.63 116.57 119.18 1owa h LYS 72 Ca 0.01 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1owa h LYS 72 Cb 0.41 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1owa h LYS 72 CO 0.00 0.91 -0.16 -0.24 -2.27 0.00 0.00 179.45 177.69 1owa h VAL 73 N 0.91 1.27 0.00 2.00 3.04 -0.49 0.66 116.25 123.65 1owa h VAL 73 Ca 0.18 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1owa h VAL 73 Cb 0.42 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1owa h VAL 73 CO 0.01 0.44 -0.00 -0.55 -1.01 0.00 0.00 177.57 176.46 1owa h ASN 74 N 0.72 -0.00 -0.87 3.17 7.08 -1.24 1.17 115.58 125.61 1owa h ASN 74 Ca 0.11 -0.15 0.01 0.00 -3.08 0.00 0.00 56.30 53.18 1owa h ASN 74 Cb 0.71 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.91 1owa h ASN 74 CO 0.05 0.15 0.57 -0.29 -2.08 0.00 0.00 177.43 175.83 1owa h ILE 75 N -0.15 1.23 -0.92 6.14 2.10 -1.45 0.81 117.51 125.26 1owa h ILE 75 Ca -0.00 -0.42 0.01 0.00 1.08 0.00 0.00 64.86 65.52 1owa h ILE 75 Cb 0.15 -0.04 -0.05 0.00 -1.09 0.00 0.00 36.82 35.79 1owa h ILE 75 CO 0.00 0.22 0.61 0.25 -1.08 0.00 0.00 178.15 178.15 1owa h LEU 76 N 1.18 1.06 -1.32 2.19 5.85 0.13 0.39 115.31 124.79 1owa h LEU 76 Ca 0.32 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 1owa h LEU 76 Cb -0.12 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.63 1owa h LEU 76 CO -0.07 0.77 -0.32 0.74 -0.34 0.00 0.00 178.44 179.22 1owa h THR 77 N 1.25 1.24 -0.96 1.05 2.02 0.44 -2.84 112.91 115.11 1owa h THR 77 Ca 0.34 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1owa h THR 77 Cb -0.14 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1owa h THR 77 CO -0.07 0.32 0.63 -0.78 0.37 0.00 0.00 175.52 176.00 1owa h ASP 78 N 0.03 1.10 0.01 4.18 1.82 0.48 0.84 116.42 124.88 1owa h ASP 78 Ca 0.00 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1owa h ASP 78 Cb 0.58 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 1owa h ASP 78 CO 0.04 0.79 -0.01 0.07 -1.61 0.00 0.00 179.24 178.53 1owa h LYS 79 N 1.30 0.00 -0.96 0.28 2.10 -1.14 -0.86 116.57 117.29 1owa h LYS 79 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1owa h LYS 79 Cb -0.15 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.13 1owa h LYS 79 CO -0.08 0.01 0.60 1.03 -2.00 0.00 0.00 179.45 179.02 1owa h SER 80 N 0.00 1.13 -0.36 7.07 0.87 -0.88 -1.97 113.55 119.41 1owa h SER 80 Ca -0.00 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1owa h SER 80 Cb 0.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1owa h SER 80 CO 0.00 0.84 0.24 1.88 -0.53 0.00 0.00 176.83 179.26 1owa h TYR 81 N 1.31 0.43 -5.71 2.24 -1.99 -1.05 -3.46 116.97 108.74 1owa h TYR 81 Ca 0.35 0.01 -0.37 0.00 2.00 0.00 0.00 58.73 60.72 1owa h TYR 81 Cb -0.10 -0.14 0.15 0.00 2.00 0.00 0.00 36.73 38.63 1owa h TYR 81 CO 0.00 0.27 -0.70 0.39 -0.00 0.00 0.00 178.16 178.12 1owa n GLU 82 N -4.48 -7.43 -1.27 4.88 1.02 -0.74 -4.97 120.64 107.64 1owa n GLU 82 Ca 0.03 0.82 -0.31 0.00 -0.02 0.00 0.00 57.16 57.68 1owa n GLU 82 Cb 0.08 -5.83 0.09 0.00 -0.02 0.00 0.00 31.44 25.77 1owa n GLU 82 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1owa s ASP 83 N -3.65 4.54 -0.15 1.62 1.01 -1.26 -4.85 116.67 113.92 1owa s ASP 83 Ca 0.39 1.81 -0.03 0.00 0.71 0.00 0.00 52.55 55.43 1owa s ASP 83 Cb -0.17 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1owa s ASP 83 CO 0.72 -2.01 1.82 -2.65 0.21 0.00 0.00 175.17 173.26 1owa n PRO 84 N -3.51 1.00 -2.77 8.23 -0.02 -1.26 -4.87 135.00 131.80 1owa n PRO 84 Ca 0.09 -0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 60.68 1owa n PRO 84 Cb 0.53 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1owa n PRO 84 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1owa s THR 85 N 2.51 4.79 0.32 3.45 -1.32 -1.26 -5.05 115.64 119.08 1owa s THR 85 Ca 0.29 0.58 -0.27 0.00 -1.21 0.00 0.00 61.69 61.08 1owa s THR 85 Cb 0.12 -3.76 -0.09 0.00 -1.51 0.00 0.00 72.50 67.26 1owa s THR 85 CO -0.01 -0.60 1.03 0.20 -2.21 0.00 0.00 174.62 173.03 1owa s ASN 86 N -3.33 7.20 0.15 8.08 0.01 -1.26 -4.97 114.94 120.81 1owa s ASN 86 Ca 0.51 2.06 -0.11 0.00 -0.71 0.00 0.00 52.86 54.61 1owa s ASN 86 Cb -0.10 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1owa s ASN 86 CO 0.34 -0.17 1.48 0.40 -1.51 0.00 0.00 177.10 177.64 1owa h ILE 87 N 2.75 1.27 -1.00 0.60 2.04 -1.98 -2.29 117.51 118.89 1owa h ILE 87 Ca -0.47 -1.55 0.01 0.00 1.00 0.00 0.00 64.86 63.85 1owa h ILE 87 Cb 1.21 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1owa h ILE 87 CO 0.65 0.52 0.66 -0.61 0.00 0.00 0.00 178.15 179.38 1owa h GLN 88 N 0.77 1.32 -0.18 2.37 4.15 -1.99 -0.13 115.11 121.42 1owa h GLN 88 Ca 0.06 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 1owa h GLN 88 Cb 0.97 -0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1owa h GLN 88 CO 0.09 0.88 -0.35 0.78 -1.93 0.00 0.00 178.83 178.30 1owa h GLY 89 N 1.36 0.61 1.01 2.39 0.00 -1.96 -2.73 103.07 103.75 1owa h GLY 89 Ca 0.37 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1owa h GLY 89 CO -0.08 0.64 0.61 1.70 0.00 0.00 0.00 176.54 179.42 1owa h LYS 90 N 0.21 1.25 -0.87 4.80 3.64 -1.11 -2.12 116.57 122.37 1owa h LYS 90 Ca 0.01 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1owa h LYS 90 Cb 0.94 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1owa h LYS 90 CO 0.08 0.84 0.44 -0.92 -2.27 0.00 0.00 179.45 177.62 1owa h TYR 91 N 1.28 1.24 -0.63 1.91 3.20 -1.01 -2.99 116.97 119.97 1owa h TYR 91 Ca 0.34 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 1owa h TYR 91 Cb -0.13 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.73 1owa h TYR 91 CO -0.00 0.88 0.09 1.96 -1.64 0.00 0.00 178.16 179.45 1owa h GLN 92 N 1.24 1.05 -1.01 1.82 1.08 -1.08 -2.93 115.11 115.28 1owa h GLN 92 Ca 0.30 -0.29 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1owa h GLN 92 Cb 0.08 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 1owa h GLN 92 CO -0.04 0.98 0.67 1.57 -0.95 0.00 0.00 178.83 181.06 1owa h LYS 93 N 0.96 1.33 -0.59 1.46 2.10 -1.30 -1.66 116.57 118.87 1owa h LYS 93 Ca 0.19 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.77 1owa h LYS 93 Cb 0.44 -0.30 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 1owa h LYS 93 CO 0.01 0.88 0.39 0.45 -2.00 0.00 0.00 179.45 179.18 1owa h HIS 94 N 1.37 0.74 -0.65 0.07 3.86 -1.44 -2.08 115.15 117.02 1owa h HIS 94 Ca 0.37 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.53 1owa h HIS 94 Cb -0.16 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.04 1owa h HIS 94 CO -0.00 0.47 0.16 1.96 0.86 0.00 0.00 177.93 181.38 1owa h GLN 95 N 0.79 1.04 -0.01 2.45 4.20 -1.26 -1.06 115.11 121.26 1owa h GLN 95 Ca 0.21 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1owa h GLN 95 Cb -0.09 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1owa h GLN 95 CO -0.05 0.93 0.01 1.03 -0.67 0.00 0.00 178.83 180.08 1owa h SER 96 N 0.96 0.01 0.46 1.46 0.87 -1.03 -0.30 113.55 115.99 1owa h SER 96 Ca 0.21 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1owa h SER 96 Cb 0.36 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1owa h SER 96 CO 0.00 0.09 0.00 -0.07 -0.53 0.00 0.00 176.83 176.33 1owa h LEU 97 N -0.07 0.00 -0.40 2.23 4.07 -1.33 -2.05 115.31 117.77 1owa h LEU 97 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1owa h LEU 97 Cb 0.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1owa h LEU 97 CO -0.00 0.00 0.15 -0.08 -1.08 0.00 0.00 178.44 177.43 1owa h GLU 98 N 0.00 0.59 -0.36 1.13 4.81 0.31 0.43 114.58 121.49 1owa h GLU 98 Ca 0.00 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1owa h GLU 98 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1owa h GLU 98 CO 0.00 0.57 -0.24 0.00 -0.73 0.00 0.00 179.01 178.61 1owa h ALA 99 N 1.00 0.90 -0.75 2.92 0.00 -1.07 -2.68 119.26 119.57 1owa h ALA 99 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1owa h ALA 99 Cb 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1owa h ALA 99 CO -0.01 0.62 0.38 0.93 0.00 0.00 0.00 179.25 181.17 1owa h GLU 100 N 0.63 1.05 0.02 0.00 5.08 -0.76 0.80 114.58 121.41 1owa h GLU 100 Ca 0.09 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1owa h GLU 100 Cb 0.74 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1owa h GLU 100 CO 0.06 0.80 -0.01 0.28 -1.00 0.00 0.00 179.01 179.13 1owa h VAL 101 N 1.05 0.97 -0.71 3.13 2.07 0.16 0.91 116.25 123.84 1owa h VAL 101 Ca 0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 1owa h VAL 101 Cb 0.07 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1owa h VAL 101 CO -0.04 0.00 0.16 1.56 0.02 0.00 0.00 177.57 179.28 1owa h GLN 102 N -0.04 1.14 -0.13 1.57 4.20 -1.25 -2.09 115.11 118.51 1owa h GLN 102 Ca -0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1owa h GLN 102 Cb 0.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1owa h GLN 102 CO 0.00 1.01 0.05 1.15 -0.67 0.00 0.00 178.83 180.37 1owa h THR 103 N 1.08 1.17 -0.98 -0.54 2.02 0.14 -2.54 112.91 113.25 1owa h THR 103 Ca 0.22 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1owa h THR 103 Cb 0.39 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1owa h THR 103 CO 0.00 0.15 0.62 0.11 0.37 0.00 0.00 175.52 176.78 1owa h LYS 104 N 0.04 1.31 -0.97 6.66 1.79 0.95 -1.30 116.57 125.04 1owa h LYS 104 Ca 0.04 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1owa h LYS 104 Cb 0.20 -0.29 -0.05 0.00 -1.58 0.00 0.00 32.23 30.51 1owa h LYS 104 CO -0.00 0.89 0.64 0.66 -1.08 0.00 0.00 179.45 180.56 1owa h SER 105 N 1.34 1.11 -0.51 0.86 4.64 -1.24 0.11 113.55 119.86 1owa h SER 105 Ca 0.36 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1owa h SER 105 Cb -0.11 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.68 1owa h SER 105 CO -0.07 0.80 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.57 1owa h ARG 106 N 1.31 0.96 0.00 4.77 2.43 -0.95 0.56 114.38 123.46 1owa h ARG 106 Ca 0.36 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1owa h ARG 106 Cb -0.14 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1owa h ARG 106 CO -0.08 0.97 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.28 1owa h LEU 107 N 0.88 0.00 -0.72 3.80 3.38 -0.07 0.98 115.31 123.55 1owa h LEU 107 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1owa h LEU 107 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1owa h LEU 107 CO 0.03 0.00 -0.28 0.24 0.09 0.00 0.00 178.44 178.53 1owa h MET 108 N 0.00 0.68 0.03 1.13 2.86 0.14 1.81 114.93 121.57 1owa h MET 108 Ca -0.00 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 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 0.00 0.88 -0.01 1.03 1.06 0.00 0.00 176.91 179.87 1owa h SER 109 N 0.58 -0.03 -0.33 1.22 0.87 0.19 -0.96 113.55 115.09 1owa h SER 109 Ca 0.07 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1owa h SER 109 Cb 0.77 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1owa h SER 109 CO 0.06 0.11 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.05 1owa h GLU 110 N -0.18 0.75 -0.99 2.24 5.08 -0.35 -2.91 114.58 118.22 1owa h GLU 110 Ca -0.00 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1owa h GLU 110 Cb 0.17 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1owa h GLU 110 CO 0.01 0.82 0.65 1.25 -1.00 0.00 0.00 179.01 180.74 1owa h LEU 111 N 0.68 1.06 -0.20 1.33 5.85 0.32 0.95 115.31 125.32 1owa h LEU 111 Ca 0.12 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1owa h LEU 111 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1owa h LEU 111 CO 0.03 0.71 0.02 -0.08 -0.34 0.00 0.00 178.44 178.78 1owa h GLU 112 N 1.23 0.34 -0.74 1.25 4.81 -1.00 -2.34 114.58 118.13 1owa h GLU 112 Ca 0.41 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1owa h GLU 112 Cb 0.05 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1owa h GLU 112 CO -0.14 0.52 0.49 0.87 -0.73 0.00 0.00 179.01 180.02 1owa h LYS 113 N 0.12 0.98 -1.00 1.92 1.57 -1.19 -2.30 116.57 116.65 1owa h LYS 113 Ca 0.06 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1owa h LYS 113 Cb 0.36 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1owa h LYS 113 CO 0.01 0.65 0.66 1.15 -0.57 0.00 0.00 179.45 181.35 1owa h THR 114 N 1.00 1.26 -0.23 -0.16 2.02 0.14 0.85 112.91 117.79 1owa h THR 114 Ca 0.27 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1owa h THR 114 Cb -0.11 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.07 1owa h THR 114 CO -0.06 0.25 0.12 -0.09 0.37 0.00 0.00 175.52 176.11 1owa h ARG 115 N 1.36 0.33 0.00 6.66 9.65 -0.95 -2.19 114.38 129.23 1owa h ARG 115 Ca 0.37 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 59.11 1owa h ARG 115 Cb -0.16 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 1owa h ARG 115 CO -0.08 0.32 -0.45 1.05 2.80 0.00 0.00 179.97 183.61 1owa h GLU 116 N 0.25 0.00 -1.01 0.20 4.11 -1.24 -3.03 114.58 113.86 1owa h GLU 116 Ca 0.08 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.60 1owa h GLU 116 Cb 0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1owa h GLU 116 CO -0.01 0.45 0.64 0.93 0.07 0.00 0.00 179.01 181.10 1owa h GLU 117 N 0.00 1.07 -5.92 1.06 5.08 0.14 -3.42 114.58 112.60 1owa h GLU 117 Ca -0.00 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.61 1owa h GLU 117 Cb 0.81 -0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.68 1owa h GLU 117 CO 0.06 0.71 -0.60 1.03 -1.00 0.00 0.00 179.01 179.21 1owa s ARG 118 N -6.01 3.06 -0.23 2.33 0.52 -1.12 -4.84 118.95 112.66 1owa s ARG 118 Ca -0.12 -0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1owa s ARG 118 Cb 0.21 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.85 1owa s ARG 118 CO 0.81 0.72 0.16 1.19 0.02 0.00 0.00 175.30 178.20 1owa n PHE 119 N 2.10 -4.35 -1.85 -0.53 3.72 -1.26 -4.89 117.46 110.39 1owa n PHE 119 Ca -0.19 2.32 -0.29 0.00 -0.05 0.00 0.00 57.45 59.24 1owa n PHE 119 Cb 0.54 -3.99 0.08 0.00 -0.94 0.00 0.00 39.48 35.18 1owa n PHE 119 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1owa s THR 120 N -1.04 2.46 -0.14 4.37 -1.32 -1.26 -4.78 115.64 113.93 1owa s THR 120 Ca -0.18 0.15 -0.10 0.00 -1.21 0.00 0.00 61.69 60.35 1owa s THR 120 Cb 0.01 -3.11 0.04 0.00 -1.51 0.00 0.00 72.50 67.92 1owa s THR 120 CO 0.80 -0.20 0.19 0.23 -2.21 0.00 0.00 174.62 173.44 1owa n MET 121 N -3.28 -3.87 0.00 7.08 2.81 -1.26 -5.06 117.12 113.54 1owa n MET 121 Ca 0.08 2.99 0.00 0.00 -1.81 0.00 0.00 57.70 58.95 1owa n MET 121 Cb 0.60 -4.34 0.00 0.00 -0.71 0.00 0.00 33.22 28.77 1owa n MET 121 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1owa n GLY 122 N 1.42 -1.82 0.34 3.03 0.00 -1.26 -5.04 105.19 101.87 1owa n GLY 122 Ca -0.33 0.78 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 1owa n GLY 122 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1owa h HIS 123 N 0.00 1.21 -0.94 1.61 2.07 -1.99 -2.71 115.15 114.41 1owa h HIS 123 Ca 0.00 -0.11 -0.01 0.00 -2.85 0.00 0.00 60.37 57.40 1owa h HIS 123 Cb 0.00 -0.36 -0.04 0.00 2.57 0.00 0.00 27.41 29.58 1owa h HIS 123 CO 0.00 0.94 0.55 0.77 -3.07 0.00 0.00 177.93 177.11 1owa h SER 124 N 1.14 1.14 -0.09 3.10 0.02 -2.02 -0.90 113.55 115.94 1owa h SER 124 Ca 0.25 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1owa h SER 124 Cb 0.27 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1owa h SER 124 CO -0.01 0.89 0.12 0.00 -1.14 0.00 0.00 176.83 176.68 1owa h ALA 125 N 1.30 1.60 -0.54 3.77 0.00 -1.89 0.59 119.26 124.10 1owa h ALA 125 Ca 0.33 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1owa h ALA 125 Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1owa h ALA 125 CO -0.06 -0.16 -0.11 0.45 0.00 0.00 0.00 179.25 179.36 1owa h HIS 126 N 0.00 1.16 -1.01 0.00 3.86 -1.12 -2.80 115.15 115.24 1owa h HIS 126 Ca 0.04 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1owa h HIS 126 Cb 0.27 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1owa h HIS 126 CO 0.00 1.07 0.67 0.93 0.86 0.00 0.00 177.93 181.46 1owa h GLU 127 N 0.91 1.33 -0.47 2.45 5.08 -0.88 0.56 114.58 123.55 1owa h GLU 127 Ca 0.14 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1owa h GLU 127 Cb 0.69 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1owa h GLU 127 CO 0.05 0.88 0.11 0.93 -1.00 0.00 0.00 179.01 179.98 1owa h GLU 128 N 1.37 0.76 -0.17 2.33 5.08 -1.43 -0.90 114.58 121.62 1owa h GLU 128 Ca 0.37 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1owa h GLU 128 Cb -0.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1owa h GLU 128 CO -0.08 0.75 -0.31 1.79 -1.00 0.00 0.00 179.01 180.16 1owa h THR 129 N 0.64 1.35 -0.78 1.13 1.35 -1.18 -2.85 112.91 112.58 1owa h THR 129 Ca 0.15 -1.55 0.01 0.00 -0.55 0.00 0.00 66.41 64.46 1owa h THR 129 Cb 0.33 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 1owa h THR 129 CO 0.00 0.47 0.51 0.50 -0.25 0.00 0.00 175.52 176.76 1owa h LYS 130 N 0.14 1.02 -0.68 4.72 1.63 0.17 -2.37 116.57 121.21 1owa h LYS 130 Ca 0.01 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1owa h LYS 130 Cb 0.90 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1owa h LYS 130 CO 0.07 0.68 0.31 0.00 -3.45 0.00 0.00 179.45 177.06 1owa h ALA 131 N 1.28 0.88 -0.26 5.00 0.00 -1.19 -1.44 119.26 123.54 1owa h ALA 131 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1owa h ALA 131 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1owa h ALA 131 CO -0.06 0.46 0.17 1.25 0.00 0.00 0.00 179.25 181.07 1owa h HIS 132 N 0.95 0.33 -0.87 0.00 -0.00 -1.22 -1.77 115.15 112.56 1owa h HIS 132 Ca 0.23 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1owa h HIS 132 Cb 0.15 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 1owa h HIS 132 CO 0.01 0.21 0.44 0.82 -0.00 0.00 0.00 177.93 179.40 1owa h ILE 133 N 0.35 1.26 -0.30 6.26 2.04 -1.25 -2.27 117.51 123.61 1owa h ILE 133 Ca 0.09 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1owa h ILE 133 Cb -0.04 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1owa h ILE 133 CO -0.02 0.31 0.20 -0.08 0.00 0.00 0.00 178.15 178.56 1owa h GLU 134 N 1.24 0.39 -0.72 2.37 4.81 -0.85 0.13 114.58 121.95 1owa h GLU 134 Ca 0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1owa h GLU 134 Cb 0.09 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1owa h GLU 134 CO -0.04 0.26 0.46 1.49 -0.73 0.00 0.00 179.01 180.45 1owa h GLU 135 N 0.40 0.95 -0.48 1.92 4.81 -1.11 -2.13 114.58 118.95 1owa h GLU 135 Ca 0.11 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1owa h GLU 135 Cb -0.05 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1owa h GLU 135 CO -0.02 0.64 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.78 1owa h LEU 136 N 0.98 0.81 -0.90 1.64 4.07 -1.05 -2.79 115.31 118.07 1owa h LEU 136 Ca 0.26 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1owa h LEU 136 Cb -0.09 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.39 1owa h LEU 136 CO -0.05 0.91 0.48 -0.09 -1.08 0.00 0.00 178.44 178.61 1owa h ARG 137 N 0.77 1.26 -0.77 1.13 9.65 -0.17 0.14 114.38 126.38 1owa h ARG 137 Ca 0.14 -0.15 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1owa h ARG 137 Cb 0.53 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 1owa h ARG 137 CO 0.03 0.93 0.26 0.45 2.80 0.00 0.00 179.97 184.44 1owa h HIS 138 N 1.26 1.22 -0.58 2.20 3.86 -1.19 -1.07 115.15 120.85 1owa h HIS 138 Ca 0.32 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1owa h HIS 138 Cb 0.04 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 1owa h HIS 138 CO 0.01 0.94 0.01 -0.07 0.86 0.00 0.00 177.93 179.68 1owa h LEU 139 N 1.14 0.96 -0.94 2.43 3.38 -1.15 -2.72 115.31 118.41 1owa h LEU 139 Ca 0.25 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1owa h LEU 139 Cb 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1owa h LEU 139 CO -0.01 1.01 0.62 -0.25 0.09 0.00 0.00 178.44 179.90 1owa h TRP 140 N 0.91 1.18 -0.45 1.13 2.91 -0.06 -1.33 115.95 120.25 1owa h TRP 140 Ca 0.17 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1owa h TRP 140 Cb 0.52 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 1owa h TRP 140 CO 0.03 0.74 0.30 -0.44 -1.03 0.00 0.00 178.44 178.05 1owa h ASP 141 N 1.27 0.51 -0.33 2.65 3.32 -0.90 0.64 116.42 123.59 1owa h ASP 141 Ca 0.34 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1owa h ASP 141 Cb -0.14 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1owa h ASP 141 CO -0.07 0.37 0.21 0.25 -1.72 0.00 0.00 179.24 178.28 1owa h LEU 142 N 0.61 0.38 -1.00 1.55 5.85 -1.33 -0.76 115.31 120.61 1owa h LEU 142 Ca 0.16 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1owa h LEU 142 Cb -0.07 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1owa h LEU 142 CO -0.04 0.29 0.66 0.25 -0.34 0.00 0.00 178.44 179.26 1owa h LEU 143 N 0.44 1.16 -0.05 2.25 5.85 -0.68 0.70 115.31 124.98 1owa h LEU 143 Ca 0.12 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1owa h LEU 143 Cb -0.04 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 1owa h LEU 143 CO -0.03 0.84 0.04 -0.07 -0.34 0.00 0.00 178.44 178.88 1owa h LEU 144 N 1.36 0.06 -1.02 2.25 3.38 0.90 0.51 115.31 122.75 1owa h LEU 144 Ca 0.37 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1owa h LEU 144 Cb -0.15 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1owa h LEU 144 CO -0.08 0.04 0.66 -0.33 0.09 0.00 0.00 178.44 178.83 1owa h GLU 145 N 0.07 1.31 -1.01 1.13 5.08 -0.52 -0.80 114.58 119.85 1owa h GLU 145 Ca 0.02 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1owa h GLU 145 Cb -0.01 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 28.89 1owa h GLU 145 CO -0.00 0.87 0.67 -0.07 -1.00 0.00 0.00 179.01 179.47 1owa h LEU 146 N 1.35 1.14 -0.26 1.33 3.38 0.19 0.85 115.31 123.29 1owa h LEU 146 Ca 0.37 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 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 0.81 0.01 0.74 0.09 0.00 0.00 178.44 180.01 1owa h THR 147 N 1.34 1.25 -1.00 0.22 2.02 0.11 0.11 112.91 116.95 1owa h THR 147 Ca 0.38 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1owa h THR 147 Cb -0.11 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1owa h THR 147 CO -0.09 0.28 0.65 -0.07 0.37 0.00 0.00 175.52 176.66 1owa h LEU 148 N 0.24 1.16 -0.35 2.58 3.38 -0.53 0.20 115.31 121.99 1owa h LEU 148 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1owa h LEU 148 Cb 0.39 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1owa h LEU 148 CO 0.01 0.85 0.23 -0.33 0.09 0.00 0.00 178.44 179.28 1owa h GLU 149 N 1.36 0.46 -0.35 1.13 4.39 0.13 0.42 114.58 122.12 1owa h GLU 149 Ca 0.36 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.87 1owa h GLU 149 Cb -0.14 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1owa h GLU 149 CO -0.08 0.32 -0.43 1.57 -1.16 0.00 0.00 179.01 179.24 1owa h LYS 150 N 0.47 0.90 -0.69 2.33 2.10 -0.19 -2.33 116.57 119.16 1owa h LYS 150 Ca 0.13 -0.50 -0.07 0.00 -2.00 0.00 0.00 60.65 58.21 1owa h LYS 150 Cb -0.04 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 1owa h LYS 150 CO -0.03 1.14 0.15 0.78 -2.00 0.00 0.00 179.45 179.50 1owa h GLY 151 N 0.78 1.21 1.08 0.07 0.00 -0.43 0.14 103.07 105.91 1owa h GLY 151 Ca 0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1owa h GLY 151 CO 0.10 0.72 0.10 -0.55 0.00 0.00 0.00 176.54 176.92 1owa h ASP 152 N 1.05 1.08 0.77 0.19 3.32 -0.89 -1.24 116.42 120.71 1owa h ASP 152 Ca 0.21 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1owa h ASP 152 Cb 0.40 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1owa h ASP 152 CO 0.01 1.07 -0.20 -0.61 -1.72 0.00 0.00 179.24 177.79 1owa h GLN 153 N 1.05 0.00 0.00 3.56 4.15 -1.12 -2.43 115.11 120.32 1owa h GLN 153 Ca 0.20 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 1owa h GLN 153 Cb 0.45 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1owa h GLN 153 CO 0.01 0.20 -0.25 1.25 -1.93 0.00 0.00 178.83 178.11 1owa h LEU 154 N 0.00 0.00 -9.50 -2.39 5.85 0.51 -3.43 115.31 106.35 1owa h LEU 154 Ca -0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 1owa h LEU 154 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.68 1owa h LEU 154 CO 0.03 0.25 0.59 -0.76 -0.34 0.00 0.00 178.44 178.21 1owa s LEU 155 N -7.32 4.37 0.00 2.25 1.43 -0.92 -5.08 118.68 113.41 1owa s LEU 155 Ca -0.02 2.09 0.27 0.00 -1.03 0.00 0.00 54.13 55.44 1owa s LEU 155 Cb 0.12 -3.58 0.87 0.00 0.03 0.00 0.00 46.19 43.63 1owa s LEU 155 CO 0.65 -0.50 1.64 0.54 0.23 0.00 0.00 176.35 178.91