#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owa h GLU 2 N 0.00 0.55 -7.01 0.03 4.81 -2.13 -3.44 114.58 107.39 1owa h GLU 2 Ca 0.00 -0.30 -0.49 0.00 -0.13 0.00 0.00 59.36 58.44 1owa h GLU 2 Cb 0.00 0.02 0.04 0.00 0.63 0.00 0.00 28.75 29.44 1owa h GLU 2 CO 0.00 0.89 0.43 -0.65 -0.73 0.00 0.00 179.01 178.95 1owa s GLN 3 N -4.16 3.87 -0.08 1.92 -0.21 -1.26 -5.01 119.66 114.72 1owa s GLN 3 Ca -0.07 1.57 -0.24 0.00 0.02 0.00 0.00 55.36 56.64 1owa s GLN 3 Cb 0.12 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 1owa s GLN 3 CO 0.83 -0.41 0.75 0.12 -2.12 0.00 0.00 175.29 174.45 1owa s PHE 4 N -1.70 3.55 0.18 0.91 5.36 -1.26 -5.03 117.98 119.98 1owa s PHE 4 Ca 0.63 1.28 -0.30 0.00 -0.96 0.00 0.00 56.93 57.58 1owa s PHE 4 Cb -0.23 -2.87 -0.08 0.00 -0.34 0.00 0.00 43.02 39.50 1owa s PHE 4 CO 0.28 0.01 1.27 -2.14 -1.46 0.00 0.00 175.22 173.18 1owa s PRO 5 N 1.08 4.42 0.27 10.12 0.02 -1.26 -5.00 135.00 144.65 1owa s PRO 5 Ca 0.39 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 1owa s PRO 5 Cb -0.18 -3.23 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 1owa s PRO 5 CO 0.18 -0.21 1.06 0.15 -0.33 0.00 0.00 177.00 177.85 1owa s LYS 6 N 0.03 4.70 -0.28 5.54 1.02 -1.26 -5.02 119.74 124.47 1owa s LYS 6 Ca 0.56 1.73 -0.13 0.00 0.02 0.00 0.00 55.97 58.15 1owa s LYS 6 Cb -0.35 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1owa s LYS 6 CO 0.36 0.29 0.27 -1.21 -0.92 0.00 0.00 175.35 174.14 1owa s GLU 7 N -1.38 3.98 -0.02 1.68 2.02 -1.26 -5.06 118.70 118.67 1owa s GLU 7 Ca 0.44 -0.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.98 1owa s GLU 7 Cb -0.30 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 1owa s GLU 7 CO 0.39 -0.22 0.94 0.99 0.02 0.00 0.00 175.26 177.37 1owa s THR 8 N 1.90 4.89 -0.14 3.63 2.01 -1.26 -5.03 115.64 121.63 1owa s THR 8 Ca 0.11 1.96 -0.18 0.00 0.31 0.00 0.00 61.69 63.89 1owa s THR 8 Cb -0.16 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1owa s THR 8 CO 0.11 0.16 0.49 -0.69 -0.69 0.00 0.00 174.62 173.99 1owa s VAL 9 N 1.06 5.17 -0.05 3.82 1.01 -1.26 -5.05 120.40 125.11 1owa s VAL 9 Ca 0.49 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 1owa s VAL 9 Cb -0.20 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1owa s VAL 9 CO 0.26 0.28 1.04 -0.69 0.00 0.00 0.00 175.10 175.99 1owa s VAL 10 N 0.93 4.67 -1.91 2.92 1.01 -1.26 -3.44 120.40 123.32 1owa s VAL 10 Ca 0.25 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.17 1owa s VAL 10 Cb -0.15 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1owa s VAL 10 CO 0.10 0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.65 1owa n GLU 11 N 4.57 -1.62 -0.02 2.72 1.02 -1.26 -4.88 120.64 121.17 1owa n GLU 11 Ca 0.08 1.08 -0.17 0.00 -0.02 0.00 0.00 57.16 58.13 1owa n GLU 11 Cb 0.49 -5.67 -0.09 0.00 -0.02 0.00 0.00 31.44 26.15 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 0.00 0.75 0.65 1.62 0.87 -1.99 -3.12 113.55 112.34 1owa h SER 12 Ca -0.48 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.42 1owa h SER 12 Cb 1.37 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1owa h SER 12 CO 0.60 1.30 0.00 -1.20 -0.53 0.00 0.00 176.83 177.00 1owa n SER 13 N -4.09 0.00 -3.53 6.23 7.64 -1.26 -4.23 113.62 114.38 1owa n SER 13 Ca -0.08 0.09 -0.27 0.00 1.01 0.00 0.00 58.87 59.62 1owa n SER 13 Cb 0.69 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1owa n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1owa n GLY 14 N 1.12 3.34 3.69 0.23 0.00 -1.18 -5.10 105.19 107.30 1owa n GLY 14 Ca 0.11 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.10 4.32 -0.72 1.61 0.04 -1.25 -4.90 135.00 133.00 1owa s PRO 15 Ca 0.32 1.89 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 1owa s PRO 15 Cb 0.06 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1owa s PRO 15 CO -0.14 -0.49 1.27 0.21 0.04 0.00 0.00 177.00 177.89 1owa s LYS 16 N 2.04 3.22 0.04 4.56 2.20 -1.26 -4.99 119.74 125.54 1owa s LYS 16 Ca 0.62 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.74 1owa s LYS 16 Cb -0.30 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.81 1owa s LYS 16 CO 0.26 -2.10 0.95 0.08 -0.36 0.00 0.00 175.35 174.19 1owa s VAL 17 N 5.65 4.74 -0.48 4.02 1.01 -1.26 -4.99 120.40 129.09 1owa s VAL 17 Ca 0.36 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 64.07 1owa s VAL 17 Cb -0.08 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1owa s VAL 17 CO 0.16 0.23 1.28 -0.76 0.00 0.00 0.00 175.10 176.01 1owa s LEU 18 N 0.60 3.56 -0.25 3.92 1.43 -1.26 -4.97 118.68 121.72 1owa s LEU 18 Ca 0.49 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1owa s LEU 18 Cb -0.22 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1owa s LEU 18 CO 0.28 -1.41 -0.08 -1.61 0.23 0.00 0.00 176.35 173.76 1owa s GLU 19 N 4.84 1.94 0.54 1.70 2.02 -1.26 -5.05 118.70 123.43 1owa s GLU 19 Ca 0.53 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 1owa s GLU 19 Cb -0.10 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 1owa s GLU 19 CO 0.31 -0.58 0.93 0.99 0.02 0.00 0.00 175.26 176.92 1owa s THR 20 N 1.25 4.75 0.10 3.63 2.01 -1.26 -4.83 115.64 121.28 1owa s THR 20 Ca -0.07 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 1owa s THR 20 Cb -0.19 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 1owa s THR 20 CO -0.06 -0.92 1.67 0.00 -0.69 0.00 0.00 174.62 174.63 1owa h ALA 21 N 0.21 0.24 -0.24 7.40 0.00 -1.99 1.85 119.26 126.73 1owa h ALA 21 Ca -0.46 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1owa h ALA 21 Cb 1.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1owa h ALA 21 CO 0.62 -0.20 -0.38 0.93 0.00 0.00 0.00 179.25 180.22 1owa h GLU 22 N 0.18 0.67 -0.25 0.00 5.08 -1.96 1.24 114.58 119.54 1owa h GLU 22 Ca 0.06 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1owa h GLU 22 Cb 0.11 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1owa h GLU 22 CO -0.01 1.03 0.15 0.93 -1.00 0.00 0.00 179.01 180.11 1owa h GLU 23 N 0.39 0.34 -0.23 2.33 5.08 -1.86 0.98 114.58 121.61 1owa h GLU 23 Ca 0.02 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1owa h GLU 23 Cb 0.97 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1owa h GLU 23 CO 0.09 0.28 -0.11 0.82 -1.00 0.00 0.00 179.01 179.08 1owa h ILE 24 N 0.31 1.30 -0.89 3.13 2.04 0.29 -1.93 117.51 121.77 1owa h ILE 24 Ca 0.09 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1owa h ILE 24 Cb 0.03 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1owa h ILE 24 CO -0.02 0.37 0.59 -0.61 0.00 0.00 0.00 178.15 178.48 1owa h GLN 25 N 0.21 1.17 -0.23 2.37 4.15 0.19 1.07 115.11 124.03 1owa h GLN 25 Ca 0.05 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1owa h GLN 25 Cb 0.62 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1owa h GLN 25 CO 0.03 0.77 0.13 0.93 -1.93 0.00 0.00 178.83 178.77 1owa h GLU 26 N 1.20 0.32 -0.48 1.69 5.08 0.11 -0.15 114.58 122.34 1owa h GLU 26 Ca 0.33 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1owa h GLU 26 Cb -0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1owa h GLU 26 CO -0.07 0.28 0.16 -0.09 -1.00 0.00 0.00 179.01 178.28 1owa h ARG 27 N 0.27 0.70 -0.55 2.33 2.43 -0.72 -2.40 114.38 116.43 1owa h ARG 27 Ca 0.08 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1owa h ARG 27 Cb 0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1owa h ARG 27 CO -0.01 0.61 0.36 -0.09 -1.51 0.00 0.00 179.97 179.33 1owa h ARG 28 N 0.69 0.73 -0.79 0.20 9.65 0.24 -1.83 114.38 123.26 1owa h ARG 28 Ca 0.16 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1owa h ARG 28 Cb 0.19 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 1owa h ARG 28 CO -0.01 0.49 0.52 1.96 2.80 0.00 0.00 179.97 185.73 1owa h GLN 29 N 0.75 1.04 -0.63 0.20 4.20 -0.57 -2.24 115.11 117.85 1owa h GLN 29 Ca 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1owa h GLN 29 Cb -0.08 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.43 1owa h GLN 29 CO -0.04 0.69 0.37 1.49 -0.67 0.00 0.00 178.83 180.67 1owa h GLU 30 N 1.07 0.87 -0.72 1.46 4.81 -1.20 -2.53 114.58 118.34 1owa h GLU 30 Ca 0.29 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1owa h GLU 30 Cb -0.12 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.04 1owa h GLU 30 CO -0.06 0.63 0.48 0.28 -0.73 0.00 0.00 179.01 179.61 1owa h VAL 31 N 0.86 1.19 -0.50 0.32 2.07 -0.93 0.29 116.25 119.56 1owa h VAL 31 Ca 0.23 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1owa h VAL 31 Cb -0.00 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1owa h VAL 31 CO -0.04 0.18 0.33 -0.07 0.02 0.00 0.00 177.57 177.99 1owa h LEU 32 N 0.98 0.57 -0.54 2.57 3.38 -1.10 0.26 115.31 121.43 1owa h LEU 32 Ca 0.26 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1owa h LEU 32 Cb -0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1owa h LEU 32 CO -0.06 0.41 0.06 0.74 0.09 0.00 0.00 178.44 179.69 1owa h THR 33 N 0.67 1.26 -0.87 0.22 2.02 -1.09 -2.71 112.91 112.40 1owa h THR 33 Ca 0.18 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1owa h THR 33 Cb -0.08 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1owa h THR 33 CO -0.04 0.36 0.44 -0.09 0.37 0.00 0.00 175.52 176.56 1owa h ARG 34 N 0.80 1.24 -0.92 6.66 2.43 -0.50 -2.65 114.38 121.44 1owa h ARG 34 Ca 0.16 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1owa h ARG 34 Cb 0.45 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 1owa h ARG 34 CO 0.02 0.94 0.60 -0.92 -1.51 0.00 0.00 179.97 179.09 1owa h TYR 35 N 1.24 1.12 -0.79 2.20 3.20 -0.19 -1.63 116.97 122.11 1owa h TYR 35 Ca 0.30 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.21 1owa h TYR 35 Cb 0.09 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 1owa h TYR 35 CO 0.01 0.64 0.53 0.37 -1.64 0.00 0.00 178.16 178.07 1owa h GLN 36 N 1.15 1.04 -0.91 1.82 5.75 -1.21 -1.50 115.11 121.25 1owa h GLN 36 Ca 0.37 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 1owa h GLN 36 Cb 0.02 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 1owa h GLN 36 CO -0.13 0.69 0.50 1.03 -2.65 0.00 0.00 178.83 178.27 1owa h SER 37 N 1.07 1.13 -0.36 -0.69 0.87 -1.19 0.49 113.55 114.88 1owa h SER 37 Ca 0.29 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1owa h SER 37 Cb -0.12 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.53 1owa h SER 37 CO -0.06 0.90 0.19 -0.26 -0.53 0.00 0.00 176.83 177.07 1owa h PHE 38 N 1.27 0.50 -0.91 2.24 0.04 -0.78 0.16 116.94 119.47 1owa h PHE 38 Ca 0.32 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1owa h PHE 38 Cb 0.02 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 1owa h PHE 38 CO 0.01 0.40 0.58 0.87 -0.60 0.00 0.00 178.31 179.58 1owa h LYS 39 N 0.45 1.20 -1.00 1.51 1.79 -0.70 -0.65 116.57 119.17 1owa h LYS 39 Ca 0.13 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1owa h LYS 39 Cb 0.08 -0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 30.41 1owa h LYS 39 CO -0.02 0.81 0.66 0.93 -1.08 0.00 0.00 179.45 180.75 1owa h GLU 40 N 1.23 1.31 -0.60 3.15 5.08 0.14 -2.05 114.58 122.84 1owa h GLU 40 Ca 0.33 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1owa h GLU 40 Cb -0.12 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 28.82 1owa h GLU 40 CO -0.07 0.87 -0.02 0.00 -1.00 0.00 0.00 179.01 178.79 1owa h ARG 41 N 1.35 1.08 -0.85 2.33 3.08 0.46 -3.04 114.38 118.79 1owa h ARG 41 Ca 0.37 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1owa h ARG 41 Cb -0.16 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.76 1owa h ARG 41 CO -0.08 1.06 0.57 0.28 -1.07 0.00 0.00 179.97 180.73 1owa h VAL 42 N 0.98 1.22 -0.64 2.04 2.07 -0.50 -2.22 116.25 119.20 1owa h VAL 42 Ca 0.17 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1owa h VAL 42 Cb 0.59 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1owa h VAL 42 CO 0.04 0.21 0.43 0.00 0.02 0.00 0.00 177.57 178.26 1owa h ALA 43 N 1.31 0.82 -0.99 1.67 0.00 -1.31 -2.36 119.26 118.39 1owa h ALA 43 Ca 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1owa h ALA 43 Cb -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 1owa h ALA 43 CO -0.07 0.24 0.65 0.93 0.00 0.00 0.00 179.25 181.01 1owa h GLU 44 N 0.87 1.30 -1.01 0.00 5.08 -1.35 -2.55 114.58 116.92 1owa h GLU 44 Ca 0.24 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1owa h GLU 44 Cb -0.10 -0.29 -0.06 0.00 0.50 0.00 0.00 28.75 28.80 1owa h GLU 44 CO -0.05 0.86 0.66 0.00 -1.00 0.00 0.00 179.01 179.48 1owa h ARG 45 N 1.34 1.21 -5.22 2.33 2.47 -0.87 -3.41 114.38 112.23 1owa h ARG 45 Ca 0.36 -0.07 -0.33 0.00 -1.26 0.00 0.00 59.98 58.68 1owa h ARG 45 Cb -0.15 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 27.84 1owa h ARG 45 CO -0.08 0.80 1.39 0.41 0.56 0.00 0.00 179.97 183.05 1owa n GLY 46 N -1.37 -0.26 3.66 0.04 0.00 -0.96 -4.86 105.19 101.43 1owa n GLY 46 Ca 0.14 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 46.25 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 8.27 4.26 -0.25 1.61 -0.21 -1.26 -5.01 119.66 127.07 1owa s GLN 47 Ca 1.16 1.41 -0.20 0.00 0.02 0.00 0.00 55.36 57.75 1owa s GLN 47 Cb -0.63 -3.66 -0.02 0.00 1.00 0.00 0.00 33.01 29.70 1owa s GLN 47 CO 0.36 -0.63 0.62 0.15 -2.12 0.00 0.00 175.29 173.67 1owa s LYS 48 N 3.21 4.11 -0.14 2.91 -0.14 -1.26 -4.71 119.74 123.72 1owa s LYS 48 Ca 0.46 0.53 -0.10 0.00 -1.36 0.00 0.00 55.97 55.50 1owa s LYS 48 Cb -0.16 -3.65 0.04 0.00 -1.68 0.00 0.00 37.83 32.38 1owa s LYS 48 CO 0.08 -0.41 0.19 1.28 -0.76 0.00 0.00 175.35 175.74 1owa n LEU 49 N 5.69 -5.89 0.00 3.17 7.99 -1.26 -5.04 117.00 121.66 1owa n LEU 49 Ca -0.01 2.17 0.00 0.00 -0.01 0.00 0.00 56.01 58.16 1owa n LEU 49 Cb 0.49 -3.02 0.00 0.00 -0.11 0.00 0.00 43.42 40.78 1owa n LEU 49 CO 0.43 -3.78 0.00 -0.62 -1.51 0.00 0.00 177.39 171.90 1owa n GLU 50 N 1.87 0.00 -2.88 3.23 1.02 -1.26 -5.10 120.64 117.51 1owa n GLU 50 Ca -0.33 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.39 1owa n GLU 50 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.88 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 2.00 6.59 0.54 1.62 -4.77 -1.26 -5.03 116.67 116.36 1owa s ASP 51 Ca 0.00 0.40 -0.19 0.00 -3.30 0.00 0.00 52.55 49.45 1owa s ASP 51 Cb 0.00 -2.43 -0.06 0.00 -1.09 0.00 0.00 42.92 39.34 1owa s ASP 51 CO 0.00 -0.83 1.12 -0.44 0.70 0.00 0.00 175.17 175.73 1owa s SER 52 N 1.92 5.76 0.61 2.11 0.01 -1.26 -4.92 113.70 117.92 1owa s SER 52 Ca 0.35 2.16 0.39 0.00 1.31 0.00 0.00 55.95 60.16 1owa s SER 52 Cb -0.12 -2.58 1.88 0.00 0.21 0.00 0.00 66.02 65.41 1owa s SER 52 CO 0.19 -1.19 2.18 0.10 0.41 0.00 0.00 173.24 174.92 1owa h TYR 53 N 1.22 0.00 -1.00 2.43 -0.00 -2.00 -2.77 116.97 114.85 1owa h TYR 53 Ca -0.50 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.24 1owa h TYR 53 Cb 1.26 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.94 1owa h TYR 53 CO 0.52 0.01 0.66 0.45 -0.00 0.00 0.00 178.16 179.79 1owa h HIS 54 N 0.00 1.25 -0.77 0.10 3.86 -1.97 0.47 115.15 118.09 1owa h HIS 54 Ca -0.00 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1owa h HIS 54 Cb 0.26 -0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 1owa h HIS 54 CO 0.00 0.79 0.51 -0.07 0.86 0.00 0.00 177.93 180.02 1owa h LEU 55 N 1.35 0.89 -0.86 2.43 3.38 -1.88 0.98 115.31 121.61 1owa h LEU 55 Ca 0.37 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 1owa h LEU 55 Cb -0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 1owa h LEU 55 CO -0.08 0.64 -0.22 1.56 0.09 0.00 0.00 178.44 180.43 1owa h GLN 56 N 1.05 0.60 -0.35 1.13 4.20 -1.44 0.37 115.11 120.67 1owa h GLN 56 Ca 0.28 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1owa h GLN 56 Cb -0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1owa h GLN 56 CO -0.06 0.78 0.17 0.28 -0.67 0.00 0.00 178.83 179.33 1owa h VAL 57 N 0.53 1.16 -1.01 -0.54 2.07 0.21 1.02 116.25 119.70 1owa h VAL 57 Ca 0.08 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1owa h VAL 57 Cb 0.67 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1owa h VAL 57 CO 0.05 0.17 0.67 0.15 0.02 0.00 0.00 177.57 178.63 1owa h PHE 58 N 0.43 1.27 -0.86 1.57 3.57 0.14 0.18 116.94 123.23 1owa h PHE 58 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1owa h PHE 58 Cb 0.12 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 1owa h PHE 58 CO -0.02 0.80 0.43 -0.22 -2.23 0.00 0.00 178.31 177.07 1owa h LYS 59 N 1.36 1.23 -0.70 1.11 3.64 0.12 -1.66 116.57 121.69 1owa h LYS 59 Ca 0.37 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1owa h LYS 59 Cb -0.16 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.41 1owa h LYS 59 CO -0.08 0.93 0.15 0.00 -2.27 0.00 0.00 179.45 178.18 1owa h ARG 60 N 1.22 1.13 -0.90 1.90 2.47 0.31 -2.72 114.38 117.79 1owa h ARG 60 Ca 0.30 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1owa h ARG 60 Cb 0.09 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 1owa h ARG 60 CO -0.04 1.01 0.50 -0.44 0.56 0.00 0.00 179.97 181.56 1owa h ASP 61 N 1.07 1.12 -0.82 7.04 3.32 -0.16 -0.07 116.42 127.91 1owa h ASP 61 Ca 0.22 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1owa h ASP 61 Cb 0.40 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1owa h ASP 61 CO 0.01 0.89 0.54 0.00 -1.72 0.00 0.00 179.24 178.96 1owa h ALA 62 N 1.29 1.04 -0.24 3.45 0.00 -1.02 1.36 119.26 125.14 1owa h ALA 62 Ca 0.32 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1owa h ALA 62 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1owa h ALA 62 CO -0.05 0.45 -0.28 -0.44 0.00 0.00 0.00 179.25 178.93 1owa h ASP 63 N 1.11 0.66 -0.56 0.00 3.32 -1.27 -2.28 116.42 117.41 1owa h ASP 63 Ca 0.30 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1owa h ASP 63 Cb -0.12 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1owa h ASP 63 CO -0.06 1.02 0.32 0.44 -1.72 0.00 0.00 179.24 179.24 1owa h ASP 64 N 0.32 0.70 -0.03 6.45 3.32 -0.51 0.69 116.42 127.36 1owa h ASP 64 Ca 0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1owa h ASP 64 Cb 0.85 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 1owa h ASP 64 CO 0.07 0.56 0.02 0.25 -1.72 0.00 0.00 179.24 178.42 1owa h LEU 65 N 0.80 0.03 -0.72 1.55 7.12 0.22 0.90 115.31 125.20 1owa h LEU 65 Ca 0.21 -0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.09 1owa h LEU 65 Cb 0.01 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1owa h LEU 65 CO -0.04 0.02 -0.34 1.23 -0.13 0.00 0.00 178.44 179.19 1owa h GLY 66 N 0.04 0.64 1.00 3.75 0.00 -0.89 -3.00 103.07 104.62 1owa h GLY 66 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1owa h GLY 66 CO -0.00 0.55 0.28 1.70 0.00 0.00 0.00 176.54 179.06 1owa h LYS 67 N 0.50 0.56 -0.86 4.80 3.64 0.13 0.64 116.57 125.98 1owa h LYS 67 Ca 0.05 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1owa h LYS 67 Cb 0.83 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1owa h LYS 67 CO 0.07 0.37 0.56 2.35 -2.27 0.00 0.00 179.45 180.53 1owa h TRP 68 N 0.57 1.09 -0.56 1.91 7.01 0.88 -0.54 115.95 126.31 1owa h TRP 68 Ca 0.15 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.06 1owa h TRP 68 Cb -0.06 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.61 1owa h TRP 68 CO -0.05 0.69 -0.08 0.82 -2.79 0.00 0.00 178.44 177.03 1owa h ILE 69 N 1.17 1.27 -0.46 2.65 1.08 -1.35 -2.86 117.51 119.00 1owa h ILE 69 Ca 0.31 -1.25 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 1owa h ILE 69 Cb -0.12 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1owa h ILE 69 CO -0.07 0.44 0.31 0.24 -0.69 0.00 0.00 178.15 178.39 1owa h MET 70 N 0.94 0.61 -0.02 2.37 2.86 0.02 0.47 114.93 122.17 1owa h MET 70 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1owa h MET 70 Cb 0.65 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1owa h MET 70 CO 0.05 0.40 -0.01 0.93 1.06 0.00 0.00 176.91 179.33 1owa h GLU 71 N 0.63 0.05 -0.71 1.72 5.08 -0.91 0.92 114.58 121.35 1owa h GLU 71 Ca 0.17 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1owa h GLU 71 Cb -0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1owa h GLU 71 CO -0.04 0.47 0.17 0.87 -1.00 0.00 0.00 179.01 179.48 1owa h LYS 72 N -0.38 1.14 -0.49 2.33 1.57 -1.28 -0.20 116.57 119.27 1owa h LYS 72 Ca 0.00 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1owa h LYS 72 Cb 0.45 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1owa h LYS 72 CO 0.00 1.00 -0.20 -0.24 -0.57 0.00 0.00 179.45 179.44 1owa h VAL 73 N 1.08 1.27 -0.35 0.50 3.04 -0.02 0.31 116.25 122.07 1owa h VAL 73 Ca 0.22 -1.36 -0.05 0.00 -1.01 0.00 0.00 66.70 64.50 1owa h VAL 73 Cb 0.37 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1owa h VAL 73 CO 0.00 0.47 0.04 0.78 -1.01 0.00 0.00 177.57 177.86 1owa h ASN 74 N 0.86 0.58 -0.44 3.17 -0.26 -0.61 0.48 115.58 119.34 1owa h ASN 74 Ca 0.11 -0.27 -0.06 0.00 -0.56 0.00 0.00 56.30 55.52 1owa h ASN 74 Cb 0.78 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 1owa h ASN 74 CO 0.06 0.71 0.08 -0.29 -1.06 0.00 0.00 177.43 176.93 1owa h ILE 75 N 0.43 1.23 -0.78 2.81 2.10 -0.93 1.17 117.51 123.54 1owa h ILE 75 Ca 0.11 -0.88 -0.03 0.00 1.08 0.00 0.00 64.86 65.14 1owa h ILE 75 Cb 0.38 0.75 -0.04 0.00 -1.09 0.00 0.00 36.82 36.83 1owa h ILE 75 CO 0.01 0.32 0.39 -0.07 -1.08 0.00 0.00 178.15 177.72 1owa h LEU 76 N 0.77 1.00 -0.78 2.19 3.38 0.29 0.00 115.31 122.16 1owa h LEU 76 Ca 0.16 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1owa h LEU 76 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1owa h LEU 76 CO 0.01 0.85 -0.37 0.74 0.09 0.00 0.00 178.44 179.75 1owa h THR 77 N 1.09 1.30 -0.45 0.22 2.02 0.10 -3.15 112.91 114.04 1owa h THR 77 Ca 0.27 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1owa h THR 77 Cb 0.10 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1owa h THR 77 CO -0.04 0.47 0.30 0.44 0.37 0.00 0.00 175.52 177.06 1owa h ASP 78 N 0.41 0.51 0.11 4.18 3.32 0.31 -0.26 116.42 125.01 1owa h ASP 78 Ca 0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1owa h ASP 78 Cb 0.83 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1owa h ASP 78 CO 0.07 0.37 -0.04 0.07 -1.72 0.00 0.00 179.24 177.99 1owa h LYS 79 N 0.61 0.00 -0.89 3.56 2.10 -1.10 -1.29 116.57 119.56 1owa h LYS 79 Ca 0.16 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.79 1owa h LYS 79 Cb -0.07 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.22 1owa h LYS 79 CO -0.04 0.04 0.48 0.77 -2.00 0.00 0.00 179.45 178.71 1owa h SER 80 N 0.00 1.13 -0.66 7.07 0.02 -1.02 -2.73 113.55 117.36 1owa h SER 80 Ca -0.00 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1owa h SER 80 Cb 0.11 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1owa h SER 80 CO 0.01 0.91 0.43 1.88 -1.14 0.00 0.00 176.83 178.92 1owa h TYR 81 N 1.26 0.82 -3.10 3.45 -1.99 -1.07 -3.45 116.97 112.89 1owa h TYR 81 Ca 0.31 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.98 1owa h TYR 81 Cb 0.04 -0.28 -0.17 0.00 2.00 0.00 0.00 36.73 38.32 1owa h TYR 81 CO 0.01 0.52 -0.16 -1.83 -0.00 0.00 0.00 178.16 176.70 1owa s GLU 82 N -6.14 0.87 -0.37 4.88 -1.05 -1.03 -5.14 118.70 110.71 1owa s GLU 82 Ca -0.13 -0.38 -0.03 0.00 -0.15 0.00 0.00 54.97 54.28 1owa s GLU 82 Cb 0.14 0.38 0.09 0.00 -0.44 0.00 0.00 34.13 34.30 1owa s GLU 82 CO 0.76 -0.29 0.14 -0.51 0.95 0.00 0.00 175.26 176.32 1owa s ASP 83 N -1.95 5.16 0.36 0.83 1.01 -1.25 -4.46 116.67 116.37 1owa s ASP 83 Ca -0.06 -1.76 -0.26 0.00 0.71 0.00 0.00 52.55 51.19 1owa s ASP 83 Cb -0.01 -1.80 -0.12 0.00 1.01 0.00 0.00 42.92 42.00 1owa s ASP 83 CO -0.02 -0.45 1.01 -2.65 0.21 0.00 0.00 175.17 173.27 1owa n PRO 84 N 4.62 1.39 -0.04 8.23 -0.02 -1.26 -4.91 135.00 143.00 1owa n PRO 84 Ca -0.06 0.49 -0.17 0.00 -2.02 0.00 0.00 63.50 61.75 1owa n PRO 84 Cb 0.42 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1owa n PRO 84 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1owa h THR 85 N 1.77 1.27 -3.08 3.45 2.02 -2.05 -3.43 112.91 112.86 1owa h THR 85 Ca -0.42 -1.89 -0.56 0.00 0.77 0.00 0.00 66.41 64.30 1owa h THR 85 Cb 1.34 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.58 1owa h THR 85 CO 0.59 0.61 0.73 0.20 0.37 0.00 0.00 175.52 178.02 1owa s ASN 86 N -7.06 7.07 0.14 4.18 0.01 -1.26 -4.94 114.94 113.08 1owa s ASN 86 Ca -0.10 1.66 -0.11 0.00 -0.71 0.00 0.00 52.86 53.60 1owa s ASN 86 Cb 0.09 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 1owa s ASN 86 CO 0.90 -0.61 1.47 0.40 -1.51 0.00 0.00 177.10 177.75 1owa h ILE 87 N 5.21 1.27 -0.15 0.60 2.04 -1.99 -3.13 117.51 121.35 1owa h ILE 87 Ca -0.29 -1.58 0.04 0.00 1.00 0.00 0.00 64.86 64.02 1owa h ILE 87 Cb 1.13 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1owa h ILE 87 CO 0.91 0.53 0.11 -0.61 0.00 0.00 0.00 178.15 179.09 1owa h GLN 88 N 0.76 0.01 -0.06 2.37 4.15 -1.94 -2.29 115.11 118.10 1owa h GLN 88 Ca 0.06 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1owa h GLN 88 Cb 1.01 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 1owa h GLN 88 CO 0.10 0.00 0.02 0.78 -1.93 0.00 0.00 178.83 177.80 1owa h GLY 89 N 0.01 0.09 1.03 2.39 0.00 -1.96 0.15 103.07 104.78 1owa h GLY 89 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1owa h GLY 89 CO -0.00 0.05 0.45 0.50 0.00 0.00 0.00 176.54 177.54 1owa h LYS 90 N -0.09 1.21 -0.94 4.80 1.57 -1.57 -2.41 116.57 119.14 1owa h LYS 90 Ca 0.02 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1owa h LYS 90 Cb 0.19 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1owa h LYS 90 CO -0.00 0.90 0.55 -0.92 -0.57 0.00 0.00 179.45 179.42 1owa h TYR 91 N 1.21 1.26 -0.95 -1.35 5.03 -1.19 -2.33 116.97 118.64 1owa h TYR 91 Ca 0.30 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.61 1owa h TYR 91 Cb 0.06 -0.41 -0.05 0.00 1.55 0.00 0.00 36.73 37.88 1owa h TYR 91 CO 0.01 0.84 0.63 0.37 -1.32 0.00 0.00 178.16 178.69 1owa h GLN 92 N 1.30 1.25 -1.00 1.82 4.15 -0.47 -1.52 115.11 120.63 1owa h GLN 92 Ca 0.34 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.69 1owa h GLN 92 Cb -0.03 -0.28 -0.05 0.00 0.21 0.00 0.00 27.48 27.33 1owa h GLN 92 CO -0.06 0.82 0.66 0.87 -1.93 0.00 0.00 178.83 179.20 1owa h LYS 93 N 1.28 1.32 -0.76 1.69 1.57 -1.16 -1.82 116.57 118.68 1owa h LYS 93 Ca 0.35 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1owa h LYS 93 Cb -0.15 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 31.83 1owa h LYS 93 CO -0.07 0.88 0.51 1.25 -0.57 0.00 0.00 179.45 181.44 1owa h HIS 94 N 1.36 0.96 -0.37 -1.35 2.76 -0.99 -2.52 115.15 115.00 1owa h HIS 94 Ca 0.37 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1owa h HIS 94 Cb -0.16 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.46 1owa h HIS 94 CO -0.00 0.60 0.24 1.96 -1.30 0.00 0.00 177.93 179.43 1owa h GLN 95 N 1.03 0.49 -0.67 5.26 4.20 -0.58 0.30 115.11 125.14 1owa h GLN 95 Ca 0.28 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1owa h GLN 95 Cb -0.12 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 1owa h GLN 95 CO -0.06 0.34 0.44 0.77 -0.67 0.00 0.00 178.83 179.65 1owa h SER 96 N 0.49 0.77 1.04 1.46 0.02 -1.22 0.23 113.55 116.35 1owa h SER 96 Ca 0.13 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1owa h SER 96 Cb -0.04 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1owa h SER 96 CO -0.03 0.56 0.00 -0.07 -1.14 0.00 0.00 176.83 176.15 1owa h LEU 97 N 0.91 0.00 -0.45 5.07 3.38 -1.17 -2.53 115.31 120.53 1owa h LEU 97 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1owa h LEU 97 Cb -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1owa h LEU 97 CO -0.05 0.00 0.20 -0.08 0.09 0.00 0.00 178.44 178.59 1owa h GLU 98 N 0.00 0.66 -0.42 1.13 4.81 0.30 0.64 114.58 121.69 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 0.52 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1owa h GLU 98 CO 0.00 0.58 -0.17 0.00 -0.73 0.00 0.00 179.01 178.69 1owa h ALA 99 N 1.04 0.91 -0.88 2.92 0.00 -1.16 -2.58 119.26 119.52 1owa h ALA 99 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1owa h ALA 99 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1owa h ALA 99 CO -0.02 0.62 0.45 0.93 0.00 0.00 0.00 179.25 181.24 1owa h GLU 100 N 0.71 1.24 0.17 0.00 5.08 -0.88 0.78 114.58 121.69 1owa h GLU 100 Ca 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1owa h GLU 100 Cb 0.67 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1owa h GLU 100 CO 0.05 0.93 -0.08 0.28 -1.00 0.00 0.00 179.01 179.19 1owa h VAL 101 N 1.24 0.86 -0.83 3.13 2.07 0.53 0.90 116.25 124.16 1owa h VAL 101 Ca 0.30 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 1owa h VAL 101 Cb 0.07 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1owa h VAL 101 CO -0.04 0.03 0.38 1.56 0.02 0.00 0.00 177.57 179.51 1owa h GLN 102 N -0.28 1.20 -0.29 1.57 4.20 -1.22 -1.50 115.11 118.78 1owa h GLN 102 Ca -0.02 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1owa h GLN 102 Cb 0.22 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1owa h GLN 102 CO 0.04 0.93 0.04 1.15 -0.67 0.00 0.00 178.83 180.32 1owa h THR 103 N 1.18 1.24 -1.00 -0.54 2.02 0.11 -2.82 112.91 113.10 1owa h THR 103 Ca 0.28 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1owa h THR 103 Cb 0.14 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1owa h THR 103 CO -0.03 0.26 0.65 0.50 0.37 0.00 0.00 175.52 177.27 1owa h LYS 104 N 0.29 1.32 -0.96 6.66 1.63 0.11 -2.04 116.57 123.58 1owa h LYS 104 Ca 0.09 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1owa h LYS 104 Cb 0.35 -0.29 -0.05 0.00 -0.60 0.00 0.00 32.23 31.64 1owa h LYS 104 CO 0.01 0.88 0.63 0.77 -3.45 0.00 0.00 179.45 178.29 1owa h SER 105 N 1.35 1.07 -0.82 4.20 0.02 -1.13 -0.76 113.55 117.48 1owa h SER 105 Ca 0.36 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1owa h SER 105 Cb -0.14 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.10 1owa h SER 105 CO -0.08 0.76 0.39 -0.09 -1.14 0.00 0.00 176.83 176.67 1owa h ARG 106 N 1.26 1.18 -0.10 3.45 2.43 -1.14 0.40 114.38 121.86 1owa h ARG 106 Ca 0.37 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1owa h ARG 106 Cb -0.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1owa h ARG 106 CO -0.10 0.91 0.07 -0.07 -1.51 0.00 0.00 179.97 179.27 1owa h LEU 107 N 1.17 0.10 -0.77 3.80 3.38 -0.82 1.18 115.31 123.35 1owa h LEU 107 Ca 0.28 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1owa h LEU 107 Cb 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1owa h LEU 107 CO -0.03 0.07 -0.20 0.24 0.09 0.00 0.00 178.44 178.61 1owa h MET 108 N 0.12 0.71 -0.04 1.13 2.86 0.10 1.39 114.93 121.21 1owa h MET 108 Ca 0.04 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1owa h MET 108 Cb 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1owa h MET 108 CO -0.01 0.86 0.01 0.77 1.06 0.00 0.00 176.91 179.60 1owa h SER 109 N 0.63 0.07 -0.86 1.22 0.02 0.32 0.33 113.55 115.28 1owa h SER 109 Ca 0.09 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1owa h SER 109 Cb 0.68 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1owa h SER 109 CO 0.05 0.28 0.42 -0.08 -1.14 0.00 0.00 176.83 176.36 1owa h GLU 110 N -0.15 1.24 -1.00 3.45 4.57 0.92 -1.40 114.58 122.21 1owa h GLU 110 Ca 0.01 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1owa h GLU 110 Cb 0.24 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 1owa h GLU 110 CO 0.00 0.94 0.66 -0.07 -1.18 0.00 0.00 179.01 179.36 1owa h LEU 111 N 1.23 1.16 -0.23 1.64 3.38 0.22 0.99 115.31 123.70 1owa h LEU 111 Ca 0.30 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1owa h LEU 111 Cb 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1owa h LEU 111 CO -0.04 0.84 0.04 -0.08 0.09 0.00 0.00 178.44 179.29 1owa h GLU 112 N 1.36 0.39 -0.86 1.13 4.81 -0.39 -0.79 114.58 120.22 1owa h GLU 112 Ca 0.37 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1owa h GLU 112 Cb -0.15 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 1owa h GLU 112 CO -0.08 0.52 0.57 0.87 -0.73 0.00 0.00 179.01 180.17 1owa h LYS 113 N 0.19 1.13 -0.99 1.92 1.57 -0.69 -1.71 116.57 117.99 1owa h LYS 113 Ca 0.07 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1owa h LYS 113 Cb 0.32 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1owa h LYS 113 CO 0.00 0.75 0.66 1.15 -0.57 0.00 0.00 179.45 181.44 1owa h THR 114 N 1.17 1.25 -0.73 -0.16 2.02 0.17 0.78 112.91 117.41 1owa h THR 114 Ca 0.32 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1owa h THR 114 Cb -0.14 -0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.03 1owa h THR 114 CO -0.07 0.25 0.48 -0.09 0.37 0.00 0.00 175.52 176.46 1owa h ARG 115 N 1.34 0.96 -0.14 6.66 2.43 -0.24 0.12 114.38 125.52 1owa h ARG 115 Ca 0.37 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.37 1owa h ARG 115 Cb -0.15 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.17 1owa h ARG 115 CO -0.08 0.63 -0.40 1.49 -1.51 0.00 0.00 179.97 180.10 1owa h GLU 116 N 0.99 0.31 -0.25 0.20 4.81 -0.99 -2.50 114.58 117.15 1owa h GLU 116 Ca 0.27 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1owa h GLU 116 Cb -0.11 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1owa h GLU 116 CO -0.06 0.67 0.17 0.93 -0.73 0.00 0.00 179.01 179.99 1owa h GLU 117 N 0.26 0.33 -6.96 1.92 5.08 0.30 -3.43 114.58 112.07 1owa h GLU 117 Ca 0.02 -0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1owa h GLU 117 Cb 0.83 -0.07 0.13 0.00 0.50 0.00 0.00 28.75 30.14 1owa h GLU 117 CO 0.07 0.22 0.61 -2.13 -1.00 0.00 0.00 179.01 176.77 1owa n ARG 118 N -4.50 1.96 -1.87 2.33 0.63 0.01 -4.99 116.66 110.23 1owa n ARG 118 Ca 0.01 0.71 -0.31 0.00 -0.92 0.00 0.00 57.85 57.33 1owa n ARG 118 Cb 0.07 -2.55 0.01 0.00 0.45 0.00 0.00 32.46 30.45 1owa n ARG 118 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1owa s PHE 119 N -1.24 3.62 0.01 -0.14 0.40 -1.26 -5.03 117.98 114.35 1owa s PHE 119 Ca 0.65 1.28 -0.00 0.00 -0.60 0.00 0.00 56.93 58.26 1owa s PHE 119 Cb -0.45 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1owa s PHE 119 CO 0.55 -0.69 0.01 -2.37 0.70 0.00 0.00 175.22 173.41 1owa n THR 120 N -2.75 0.00 -1.10 0.64 5.66 -1.26 -4.32 114.28 111.15 1owa n THR 120 Ca 0.06 -0.01 -0.03 0.00 -3.05 0.00 0.00 64.05 61.02 1owa n THR 120 Cb 0.54 -1.56 -0.01 0.00 -1.55 0.00 0.00 70.33 67.75 1owa n THR 120 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1owa n MET 121 N -1.25 -0.85 -3.09 1.09 2.81 -1.26 -4.88 117.12 109.69 1owa n MET 121 Ca 0.00 0.44 -0.16 0.00 -1.81 0.00 0.00 57.70 56.17 1owa n MET 121 Cb 0.01 -4.21 -0.00 0.00 -0.71 0.00 0.00 33.22 28.30 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 -1.36 2.97 0.33 3.03 0.00 -1.26 -4.95 105.19 103.94 1owa n GLY 122 Ca -0.03 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 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 3.01 1.20 -0.90 1.61 3.86 -1.91 -2.85 115.15 119.17 1owa h HIS 123 Ca 0.06 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1owa h HIS 123 Cb 1.00 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 1owa h HIS 123 CO 0.43 0.98 0.48 0.66 0.86 0.00 0.00 177.93 181.34 1owa h SER 124 N 1.08 1.13 0.00 2.45 4.64 -2.01 0.05 113.55 120.89 1owa h SER 124 Ca 0.22 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1owa h SER 124 Cb 0.38 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1owa h SER 124 CO 0.00 0.92 -0.00 0.00 -0.87 0.00 0.00 176.83 176.88 1owa h ALA 125 N 1.26 1.34 -0.36 5.18 0.00 -1.91 -0.73 119.26 124.05 1owa h ALA 125 Ca 0.31 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1owa h ALA 125 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1owa h ALA 125 CO -0.05 0.00 0.01 1.25 0.00 0.00 0.00 179.25 180.46 1owa h HIS 126 N 0.00 0.67 -0.75 0.00 2.76 -0.88 -2.19 115.15 114.77 1owa h HIS 126 Ca -0.00 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1owa h HIS 126 Cb 0.00 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 1owa h HIS 126 CO 0.00 0.72 0.46 0.93 -1.30 0.00 0.00 177.93 178.74 1owa h GLU 127 N 0.44 1.01 -0.78 5.26 4.39 -1.06 -0.89 114.58 122.96 1owa h GLU 127 Ca 0.10 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1owa h GLU 127 Cb 0.44 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1owa h GLU 127 CO 0.02 0.70 0.27 0.93 -1.16 0.00 0.00 179.01 179.77 1owa h GLU 128 N 1.02 1.19 -0.34 2.33 5.08 -1.38 -1.95 114.58 120.53 1owa h GLU 128 Ca 0.27 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1owa h GLU 128 Cb -0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1owa h GLU 128 CO -0.05 0.98 -0.01 1.15 -1.00 0.00 0.00 179.01 180.08 1owa h THR 129 N 1.14 1.26 -0.84 1.13 2.02 -0.99 -1.73 112.91 114.91 1owa h THR 129 Ca 0.25 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1owa h THR 129 Cb 0.27 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1owa h THR 129 CO -0.01 0.33 0.56 0.11 0.37 0.00 0.00 175.52 176.87 1owa h LYS 130 N 0.41 1.11 -0.33 6.66 1.79 -0.97 -1.90 116.57 123.33 1owa h LYS 130 Ca 0.09 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 1owa h LYS 130 Cb 0.47 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1owa h LYS 130 CO 0.02 0.73 -0.37 0.00 -1.08 0.00 0.00 179.45 178.75 1owa h ALA 131 N 1.31 0.50 -0.58 3.86 0.00 -1.28 -2.11 119.26 120.95 1owa h ALA 131 Ca 0.31 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1owa h ALA 131 Cb -0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1owa h ALA 131 CO -0.07 0.59 0.39 1.25 0.00 0.00 0.00 179.25 181.41 1owa h HIS 132 N 0.63 0.73 -0.38 0.00 -0.00 -1.03 -1.36 115.15 113.74 1owa h HIS 132 Ca 0.05 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.27 1owa h HIS 132 Cb 0.96 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 1owa h HIS 132 CO 0.07 0.46 -0.40 0.97 -0.00 0.00 0.00 177.93 179.03 1owa h ILE 133 N 0.79 1.27 -0.93 6.26 2.10 -1.36 -2.56 117.51 123.08 1owa h ILE 133 Ca 0.21 -1.57 -0.01 0.00 1.08 0.00 0.00 64.86 64.57 1owa h ILE 133 Cb -0.09 1.39 -0.04 0.00 -1.09 0.00 0.00 36.82 36.99 1owa h ILE 133 CO -0.05 0.53 0.53 -0.33 -1.08 0.00 0.00 178.15 177.75 1owa h GLU 134 N 0.77 1.28 -0.52 2.19 5.08 -1.11 -0.54 114.58 121.71 1owa h GLU 134 Ca 0.06 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1owa h GLU 134 Cb 1.00 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1owa h GLU 134 CO 0.10 0.91 -0.16 0.93 -1.00 0.00 0.00 179.01 179.79 1owa h GLU 135 N 1.29 1.03 -0.74 2.33 5.08 -1.21 -2.72 114.58 119.64 1owa h GLU 135 Ca 0.33 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1owa h GLU 135 Cb -0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1owa h GLU 135 CO -0.06 1.10 0.21 -0.07 -1.00 0.00 0.00 179.01 179.19 1owa h LEU 136 N 0.90 1.09 -0.87 1.33 3.38 -1.05 -2.59 115.31 117.51 1owa h LEU 136 Ca 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1owa h LEU 136 Cb 0.74 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1owa h LEU 136 CO 0.06 1.02 0.42 -0.09 0.09 0.00 0.00 178.44 179.94 1owa h ARG 137 N 1.11 1.23 -0.43 1.13 2.43 -0.96 0.47 114.38 119.36 1owa h ARG 137 Ca 0.24 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1owa h ARG 137 Cb 0.33 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1owa h ARG 137 CO -0.00 0.94 0.14 1.25 -1.51 0.00 0.00 179.97 180.79 1owa h HIS 138 N 1.22 0.68 -0.54 2.20 2.76 -1.25 0.97 115.15 121.19 1owa h HIS 138 Ca 0.30 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 1owa h HIS 138 Cb 0.11 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1owa h HIS 138 CO 0.01 0.61 -0.11 1.25 -1.30 0.00 0.00 177.93 178.40 1owa h LEU 139 N 0.55 1.03 -0.79 0.26 5.85 -1.11 -2.93 115.31 118.16 1owa h LEU 139 Ca 0.14 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1owa h LEU 139 Cb 0.25 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1owa h LEU 139 CO -0.01 1.15 0.40 -0.25 -0.34 0.00 0.00 178.44 179.39 1owa h TRP 140 N 0.90 1.13 -0.67 1.25 7.01 0.24 -2.59 115.95 123.21 1owa h TRP 140 Ca 0.14 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.10 1owa h TRP 140 Cb 0.68 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1owa h TRP 140 CO 0.05 0.81 0.44 -0.44 -2.79 0.00 0.00 178.44 176.51 1owa h ASP 141 N 1.12 0.77 -0.13 2.65 3.32 -0.66 -0.23 116.42 123.25 1owa h ASP 141 Ca 0.28 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1owa h ASP 141 Cb 0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1owa h ASP 141 CO -0.04 0.56 0.08 0.25 -1.72 0.00 0.00 179.24 178.37 1owa h LEU 142 N 0.91 0.14 -0.89 1.55 6.46 -1.32 0.11 115.31 122.26 1owa h LEU 142 Ca 0.24 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1owa h LEU 142 Cb -0.10 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1owa h LEU 142 CO -0.05 0.10 0.49 0.25 -0.62 0.00 0.00 178.44 178.61 1owa h LEU 143 N 0.17 1.12 -0.01 2.25 5.85 -1.18 0.75 115.31 124.25 1owa h LEU 143 Ca 0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1owa h LEU 143 Cb -0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 1owa h LEU 143 CO -0.01 0.90 0.00 0.25 -0.34 0.00 0.00 178.44 179.24 1owa h LEU 144 N 1.25 0.00 -1.01 2.25 6.46 -0.61 0.97 115.31 124.63 1owa h LEU 144 Ca 0.31 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1owa h LEU 144 Cb 0.03 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 1owa h LEU 144 CO -0.05 0.00 0.65 -0.08 -0.62 0.00 0.00 178.44 178.34 1owa h GLU 145 N 0.01 1.31 -0.76 1.25 4.81 -0.33 0.31 114.58 121.18 1owa h GLU 145 Ca 0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1owa h GLU 145 Cb 0.00 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.05 1owa h GLU 145 CO -0.00 0.88 0.38 -0.07 -0.73 0.00 0.00 179.01 179.46 1owa h LEU 146 N 1.35 0.98 -0.21 1.64 4.07 0.18 1.18 115.31 124.49 1owa h LEU 146 Ca 0.36 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 1owa h LEU 146 Cb -0.14 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.34 1owa h LEU 146 CO -0.08 0.82 -0.05 0.74 -1.08 0.00 0.00 178.44 178.80 1owa h THR 147 N 1.06 1.28 -0.75 0.22 2.02 0.19 -1.48 112.91 115.45 1owa h THR 147 Ca 0.26 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1owa h THR 147 Cb 0.09 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1owa h THR 147 CO -0.04 0.31 0.41 -0.07 0.37 0.00 0.00 175.52 176.50 1owa h LEU 148 N 0.13 0.94 -0.49 2.58 3.38 -0.10 -1.85 115.31 119.89 1owa h LEU 148 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1owa h LEU 148 Cb 0.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1owa h LEU 148 CO 0.02 0.76 0.32 -0.08 0.09 0.00 0.00 178.44 179.55 1owa h GLU 149 N 1.05 0.64 -0.44 1.13 4.81 0.19 -1.17 114.58 120.79 1owa h GLU 149 Ca 0.27 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.31 1owa h GLU 149 Cb 0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1owa h GLU 149 CO -0.04 0.43 -0.29 1.57 -0.73 0.00 0.00 179.01 179.94 1owa h LYS 150 N 0.66 0.98 -0.23 1.92 2.10 -0.97 -2.92 116.57 118.12 1owa h LYS 150 Ca 0.18 -0.46 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1owa h LYS 150 Cb -0.08 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 1owa h LYS 150 CO -0.04 1.13 0.15 0.78 -2.00 0.00 0.00 179.45 179.47 1owa h GLY 151 N 0.83 0.32 1.00 0.07 0.00 -1.00 -0.54 103.07 103.75 1owa h GLY 151 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1owa h GLY 151 CO 0.08 0.12 0.32 -0.55 0.00 0.00 0.00 176.54 176.51 1owa h ASP 152 N 0.31 0.56 0.18 0.19 3.32 -1.02 0.45 116.42 120.41 1owa h ASP 152 Ca 0.08 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1owa h ASP 152 Cb -0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1owa h ASP 152 CO -0.02 0.41 -0.36 1.56 -1.72 0.00 0.00 179.24 179.11 1owa h GLN 153 N 0.66 0.26 0.00 3.56 4.20 -1.38 -2.25 115.11 120.16 1owa h GLN 153 Ca 0.18 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1owa h GLN 153 Cb -0.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1owa h GLN 153 CO -0.04 0.59 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.38 1owa h LEU 154 N 0.22 0.00 -9.58 1.46 3.38 0.51 -3.43 115.31 107.87 1owa h LEU 154 Ca 0.03 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.47 1owa h LEU 154 Cb 0.75 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.53 1owa h LEU 154 CO 0.06 0.26 0.79 -0.22 0.09 0.00 0.00 178.44 179.42 1owa s LEU 155 N -7.20 4.37 0.00 1.67 2.96 0.14 -4.99 118.68 115.63 1owa s LEU 155 Ca -0.01 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 1owa s LEU 155 Cb 0.12 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1owa s LEU 155 CO 0.65 -0.72 0.00 0.54 -1.32 0.00 0.00 176.35 175.50