#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 0.93 -7.01 0.03 5.08 -2.13 -3.44 114.58 108.04 1owa h GLU 2 Ca 0.00 -0.50 -0.48 0.00 -1.00 0.00 0.00 59.36 57.37 1owa h GLU 2 Cb 0.00 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.30 1owa h GLU 2 CO 0.00 1.16 0.42 -0.65 -1.00 0.00 0.00 179.01 178.93 1owa s GLN 3 N -4.35 3.96 -0.07 2.33 -1.52 -1.26 -5.02 119.66 113.73 1owa s GLN 3 Ca -0.11 1.51 -0.24 0.00 -1.95 0.00 0.00 55.36 54.57 1owa s GLN 3 Cb 0.11 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 30.50 1owa s GLN 3 CO 0.88 -0.32 0.74 -0.06 -0.25 0.00 0.00 175.29 176.28 1owa s PHE 4 N -1.74 3.57 0.59 0.91 0.40 -1.26 -5.04 117.98 115.41 1owa s PHE 4 Ca 0.62 1.29 -0.19 0.00 -0.60 0.00 0.00 56.93 58.05 1owa s PHE 4 Cb -0.21 -2.85 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 1owa s PHE 4 CO 0.26 0.05 1.21 -2.14 0.70 0.00 0.00 175.22 175.31 1owa s PRO 5 N 0.93 2.98 0.56 0.24 0.02 -1.26 -5.01 135.00 133.46 1owa s PRO 5 Ca 0.39 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 63.08 1owa s PRO 5 Cb -0.18 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 1owa s PRO 5 CO 0.19 -1.20 1.03 0.15 -0.33 0.00 0.00 177.00 176.83 1owa s LYS 6 N -3.32 3.59 0.29 5.54 1.02 -1.26 -4.98 119.74 120.62 1owa s LYS 6 Ca 0.77 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.57 1owa s LYS 6 Cb -0.31 -2.08 -0.12 0.00 -0.52 0.00 0.00 37.83 34.81 1owa s LYS 6 CO 0.33 -0.58 1.62 -1.21 -0.92 0.00 0.00 175.35 174.59 1owa s GLU 7 N -4.04 4.11 0.07 1.68 2.02 -1.26 -4.95 118.70 116.32 1owa s GLU 7 Ca 0.62 2.61 -0.28 0.00 0.02 0.00 0.00 54.97 57.94 1owa s GLU 7 Cb -0.14 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 1owa s GLU 7 CO 0.34 -0.67 0.90 -0.08 0.02 0.00 0.00 175.26 175.77 1owa s THR 8 N 0.12 4.64 0.02 3.63 -1.32 -1.26 -5.04 115.64 116.44 1owa s THR 8 Ca 0.65 1.92 -0.21 0.00 -1.21 0.00 0.00 61.69 62.84 1owa s THR 8 Cb -0.49 -4.25 -0.06 0.00 -1.51 0.00 0.00 72.50 66.19 1owa s THR 8 CO 0.47 0.30 0.63 -0.69 -2.21 0.00 0.00 174.62 173.12 1owa s VAL 9 N 0.18 4.83 0.05 5.08 1.01 -1.26 -5.03 120.40 125.26 1owa s VAL 9 Ca 0.45 1.33 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1owa s VAL 9 Cb -0.22 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1owa s VAL 9 CO 0.27 0.43 1.23 0.68 0.00 0.00 0.00 175.10 177.71 1owa s VAL 10 N -0.32 3.97 0.48 2.92 -7.23 -1.26 -5.01 120.40 113.95 1owa s VAL 10 Ca 0.32 1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 61.71 1owa s VAL 10 Cb -0.19 -3.90 -0.09 0.00 0.56 0.00 0.00 36.38 32.76 1owa s VAL 10 CO 0.19 0.09 0.97 -1.61 -0.31 0.00 0.00 175.10 174.43 1owa s GLU 11 N 1.24 4.05 0.68 4.82 2.02 -1.26 -5.06 118.70 125.19 1owa s GLU 11 Ca 0.59 1.04 -0.11 0.00 0.02 0.00 0.00 54.97 56.52 1owa s GLU 11 Cb -0.30 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 31.78 1owa s GLU 11 CO 0.28 -0.18 1.05 -1.12 0.02 0.00 0.00 175.26 175.32 1owa s SER 12 N -2.65 5.57 0.10 -0.19 0.01 -1.26 -4.99 113.70 110.29 1owa s SER 12 Ca 0.61 1.54 -0.31 0.00 1.31 0.00 0.00 55.95 59.10 1owa s SER 12 Cb -0.10 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1owa s SER 12 CO 0.23 -1.31 1.34 -0.44 0.41 0.00 0.00 173.24 173.47 1owa s SER 13 N -3.92 6.90 0.00 2.44 0.01 -1.26 -4.90 113.70 112.97 1owa s SER 13 Ca 0.57 2.24 0.00 0.00 1.31 0.00 0.00 55.95 60.07 1owa s SER 13 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1owa s SER 13 CO 0.55 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1owa n GLY 14 N 3.42 -0.91 3.65 3.44 0.00 -1.26 -5.11 105.19 108.42 1owa n GLY 14 Ca 0.11 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1owa n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1owa s PRO 15 N -0.02 4.04 -0.03 1.61 0.04 -1.26 -4.86 135.00 134.52 1owa s PRO 15 Ca 0.00 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1owa s PRO 15 Cb 0.00 -4.06 0.06 0.00 0.04 0.00 0.00 34.50 30.54 1owa s PRO 15 CO 0.00 -1.03 0.91 1.63 0.04 0.00 0.00 177.00 178.55 1owa n LYS 16 N 7.42 1.17 -2.51 4.56 5.02 -1.26 -4.84 118.16 127.71 1owa n LYS 16 Ca 0.19 -0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1owa n LYS 16 Cb 0.43 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1owa n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1owa s VAL 17 N -0.55 4.22 -0.25 -0.18 1.01 -1.26 -4.98 120.40 118.40 1owa s VAL 17 Ca 0.04 1.33 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 1owa s VAL 17 Cb 0.04 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1owa s VAL 17 CO 0.01 -0.66 1.12 -0.22 0.00 0.00 0.00 175.10 175.36 1owa s LEU 18 N 4.37 4.05 -0.26 3.92 2.96 -1.26 -4.99 118.68 127.46 1owa s LEU 18 Ca 0.52 1.34 0.02 0.00 -0.22 0.00 0.00 54.13 55.79 1owa s LEU 18 Cb -0.13 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.09 1owa s LEU 18 CO 0.25 -0.79 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.72 1owa s GLU 19 N 3.49 1.85 0.20 1.98 2.12 -1.26 -5.08 118.70 122.00 1owa s GLU 19 Ca 0.48 -1.21 -0.08 0.00 0.36 0.00 0.00 54.97 54.51 1owa s GLU 19 Cb -0.16 -2.75 -0.07 0.00 0.26 0.00 0.00 34.13 31.42 1owa s GLU 19 CO 0.12 -0.62 0.50 0.99 -0.54 0.00 0.00 175.26 175.71 1owa s THR 20 N 1.24 5.00 0.07 -1.70 2.01 -1.26 -4.95 115.64 116.05 1owa s THR 20 Ca -0.05 0.36 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 1owa s THR 20 Cb -0.19 -3.62 -0.11 0.00 0.01 0.00 0.00 72.50 68.59 1owa s THR 20 CO -0.06 -0.03 1.55 0.00 -0.69 0.00 0.00 174.62 175.39 1owa h ALA 21 N 2.67 0.23 -0.35 7.40 0.00 -1.99 0.95 119.26 128.17 1owa h ALA 21 Ca -0.47 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 1owa h ALA 21 Cb 1.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1owa h ALA 21 CO 0.70 -0.12 -0.38 0.93 0.00 0.00 0.00 179.25 180.38 1owa h GLU 22 N 0.08 0.87 -0.19 0.00 5.08 -1.95 1.70 114.58 120.17 1owa h GLU 22 Ca 0.05 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1owa h GLU 22 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1owa h GLU 22 CO 0.00 1.11 0.12 1.49 -1.00 0.00 0.00 179.01 180.74 1owa h GLU 23 N 0.66 0.25 -0.40 2.33 4.81 -1.90 1.08 114.58 121.41 1owa h GLU 23 Ca 0.05 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1owa h GLU 23 Cb 0.97 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1owa h GLU 23 CO 0.09 0.18 -0.36 0.82 -0.73 0.00 0.00 179.01 179.01 1owa h ILE 24 N 0.24 1.27 -0.93 2.32 1.08 0.10 -2.90 117.51 118.70 1owa h ILE 24 Ca 0.07 -1.53 0.01 0.00 -0.39 0.00 0.00 64.86 63.02 1owa h ILE 24 Cb -0.01 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1owa h ILE 24 CO -0.01 0.51 0.62 -0.61 -0.69 0.00 0.00 178.15 177.97 1owa h GLN 25 N 0.78 1.21 -0.29 2.37 4.15 0.32 0.87 115.11 124.52 1owa h GLN 25 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1owa h GLN 25 Cb 0.95 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1owa h GLN 25 CO 0.09 0.80 0.19 1.49 -1.93 0.00 0.00 178.83 179.48 1owa h GLU 26 N 1.25 0.38 -0.47 1.69 4.81 0.13 0.56 114.58 122.93 1owa h GLU 26 Ca 0.34 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 1owa h GLU 26 Cb -0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1owa h GLU 26 CO -0.08 0.25 -0.05 0.00 -0.73 0.00 0.00 179.01 178.41 1owa h ARG 27 N 0.39 0.81 -0.93 1.92 3.08 -1.19 -2.59 114.38 115.87 1owa h ARG 27 Ca 0.11 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1owa h ARG 27 Cb -0.04 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 1owa h ARG 27 CO -0.02 0.85 0.61 0.00 -1.07 0.00 0.00 179.97 180.33 1owa h ARG 28 N 0.74 1.24 -0.56 0.04 2.47 0.22 -1.10 114.38 117.44 1owa h ARG 28 Ca 0.14 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1owa h ARG 28 Cb 0.52 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1owa h ARG 28 CO 0.03 0.83 0.37 0.37 0.56 0.00 0.00 179.97 182.13 1owa h GLN 29 N 1.27 0.73 -0.61 0.04 4.15 0.44 -0.94 115.11 120.19 1owa h GLN 29 Ca 0.34 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 1owa h GLN 29 Cb -0.13 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.37 1owa h GLN 29 CO -0.07 0.49 0.11 0.93 -1.93 0.00 0.00 178.83 178.35 1owa h GLU 30 N 0.76 1.01 -0.69 1.69 5.08 -1.26 -2.61 114.58 118.56 1owa h GLU 30 Ca 0.20 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1owa h GLU 30 Cb -0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1owa h GLU 30 CO -0.05 0.94 0.45 0.28 -1.00 0.00 0.00 179.01 179.64 1owa h VAL 31 N 0.92 1.18 -0.06 3.13 2.07 -0.77 -1.12 116.25 121.59 1owa h VAL 31 Ca 0.19 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1owa h VAL 31 Cb 0.42 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1owa h VAL 31 CO 0.01 0.17 0.04 0.25 0.02 0.00 0.00 177.57 178.06 1owa h LEU 32 N 0.94 0.07 -0.56 2.57 5.85 -0.95 0.38 115.31 123.60 1owa h LEU 32 Ca 0.25 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1owa h LEU 32 Cb -0.10 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1owa h LEU 32 CO -0.05 0.05 0.22 0.00 -0.34 0.00 0.00 178.44 178.32 1owa h THR 33 N 0.08 1.22 -0.63 1.05 1.03 -1.30 -1.98 112.91 112.38 1owa h THR 33 Ca 0.02 -0.70 -0.09 0.00 -0.01 0.00 0.00 66.41 65.63 1owa h THR 33 Cb -0.01 0.63 -0.02 0.00 -1.07 0.00 0.00 68.15 67.68 1owa h THR 33 CO -0.00 0.27 0.03 -0.09 -0.01 0.00 0.00 175.52 175.71 1owa h ARG 34 N 0.77 1.10 -0.90 0.00 2.43 -1.02 -2.91 114.38 113.85 1owa h ARG 34 Ca 0.19 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1owa h ARG 34 Cb 0.21 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1owa h ARG 34 CO -0.01 1.05 0.60 -0.92 -1.51 0.00 0.00 179.97 179.17 1owa h TYR 35 N 1.01 1.13 -1.01 2.20 3.20 0.04 -1.94 116.97 121.59 1owa h TYR 35 Ca 0.18 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1owa h TYR 35 Cb 0.53 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1owa h TYR 35 CO 0.04 0.71 0.67 0.37 -1.64 0.00 0.00 178.16 178.31 1owa h GLN 36 N 1.22 1.33 -0.80 1.82 4.15 -1.18 -1.82 115.11 119.82 1owa h GLN 36 Ca 0.33 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1owa h GLN 36 Cb -0.14 -0.30 -0.04 0.00 0.21 0.00 0.00 27.48 27.22 1owa h GLN 36 CO -0.07 0.88 0.51 0.77 -1.93 0.00 0.00 178.83 178.98 1owa h SER 37 N 1.37 0.94 -0.39 -0.69 0.02 -1.20 0.28 113.55 113.88 1owa h SER 37 Ca 0.37 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1owa h SER 37 Cb -0.16 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.13 1owa h SER 37 CO -0.08 0.70 0.25 0.15 -1.14 0.00 0.00 176.83 176.71 1owa h PHE 38 N 1.09 0.49 -0.78 3.45 3.04 -0.92 0.21 116.94 123.52 1owa h PHE 38 Ca 0.29 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 1owa h PHE 38 Cb -0.09 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.22 1owa h PHE 38 CO 0.00 0.32 0.45 0.87 -2.02 0.00 0.00 178.31 177.93 1owa h LYS 39 N 0.52 1.07 -0.97 1.11 1.57 -0.94 -1.91 116.57 117.02 1owa h LYS 39 Ca 0.14 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1owa h LYS 39 Cb -0.05 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.00 1owa h LYS 39 CO -0.03 0.77 0.64 1.49 -0.57 0.00 0.00 179.45 181.74 1owa h GLU 40 N 1.08 1.27 -0.96 3.15 4.81 0.15 -1.97 114.58 122.12 1owa h GLU 40 Ca 0.28 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1owa h GLU 40 Cb -0.01 -0.29 -0.05 0.00 0.63 0.00 0.00 28.75 29.04 1owa h GLU 40 CO -0.05 0.84 0.62 -0.09 -0.73 0.00 0.00 179.01 179.60 1owa h ARG 41 N 1.31 1.28 -0.71 1.92 2.43 0.13 -2.22 114.38 118.51 1owa h ARG 41 Ca 0.35 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1owa h ARG 41 Cb -0.15 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.09 1owa h ARG 41 CO -0.08 0.86 0.41 0.28 -1.51 0.00 0.00 179.97 179.93 1owa h VAL 42 N 1.31 1.21 -1.00 0.20 2.07 -1.12 -2.32 116.25 116.60 1owa h VAL 42 Ca 0.35 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1owa h VAL 42 Cb -0.12 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1owa h VAL 42 CO -0.07 0.23 0.66 0.00 0.02 0.00 0.00 177.57 178.41 1owa h ALA 43 N 1.21 1.27 -0.91 1.67 0.00 -0.97 -2.18 119.26 119.36 1owa h ALA 43 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1owa h ALA 43 Cb 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 1owa h ALA 43 CO -0.04 0.67 0.60 1.49 0.00 0.00 0.00 179.25 181.97 1owa h GLU 44 N 1.36 1.16 -0.89 0.00 4.81 -0.87 -2.06 114.58 118.10 1owa h GLU 44 Ca 0.37 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1owa h GLU 44 Cb -0.16 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 28.92 1owa h GLU 44 CO -0.08 0.77 0.59 0.00 -0.73 0.00 0.00 179.01 179.56 1owa h ARG 45 N 1.20 1.17 -1.42 1.92 3.08 -1.08 -2.85 114.38 116.39 1owa h ARG 45 Ca 0.35 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1owa h ARG 45 Cb -0.08 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.71 1owa h ARG 45 CO -0.09 0.77 0.00 0.41 -1.07 0.00 0.00 179.97 179.99 1owa n GLY 46 N -1.40 0.61 3.67 0.04 0.00 -0.77 -4.80 105.19 102.54 1owa n GLY 46 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 0.36 4.30 -0.37 1.61 -0.21 -1.08 -4.98 119.66 119.30 1owa s GLN 47 Ca 0.00 1.62 -0.24 0.00 0.02 0.00 0.00 55.36 56.76 1owa s GLN 47 Cb 0.00 -3.64 0.01 0.00 1.00 0.00 0.00 33.01 30.38 1owa s GLN 47 CO 0.00 -0.55 0.82 -1.59 -2.12 0.00 0.00 175.29 171.85 1owa s LYS 48 N 2.76 3.77 0.11 2.91 -2.85 -1.26 -4.92 119.74 120.26 1owa s LYS 48 Ca 0.54 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.75 1owa s LYS 48 Cb -0.22 -3.81 -0.13 0.00 -2.06 0.00 0.00 37.83 31.61 1owa s LYS 48 CO 0.17 -0.87 1.35 -0.07 0.10 0.00 0.00 175.35 176.03 1owa h LEU 49 N 9.82 0.97 -0.87 2.77 -0.00 -1.98 -3.20 115.31 122.80 1owa h LEU 49 Ca -0.24 -0.58 -0.03 0.00 -0.00 0.00 0.00 57.88 57.02 1owa h LEU 49 Cb 1.09 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 41.43 1owa h LEU 49 CO 0.93 1.38 0.44 -0.33 -0.00 0.00 0.00 178.44 180.86 1owa h GLU 50 N 0.60 1.24 -4.00 1.13 5.08 -2.04 -3.49 114.58 113.12 1owa h GLU 50 Ca -0.02 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1owa h GLU 50 Cb 1.29 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1owa h GLU 50 CO 0.14 0.94 -0.75 -0.25 -1.00 0.00 0.00 179.01 178.09 1owa n ASP 51 N -4.31 -6.94 -4.77 1.42 8.00 -1.21 -4.94 116.55 103.79 1owa n ASP 51 Ca 0.09 1.32 -0.35 0.00 0.71 0.00 0.00 54.79 56.56 1owa n ASP 51 Cb 0.13 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1owa n ASP 51 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1owa s SER 52 N -0.44 5.68 0.57 -2.24 0.01 -1.26 -4.91 113.70 111.11 1owa s SER 52 Ca -0.02 2.20 0.32 0.00 1.31 0.00 0.00 55.95 59.77 1owa s SER 52 Cb 0.00 -2.58 1.72 0.00 0.21 0.00 0.00 66.02 65.37 1owa s SER 52 CO 0.05 -1.25 2.16 1.88 0.41 0.00 0.00 173.24 176.49 1owa h TYR 53 N 1.18 0.00 -1.01 2.43 -1.99 -2.00 -2.65 116.97 112.94 1owa h TYR 53 Ca -0.50 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.24 1owa h TYR 53 Cb 1.27 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.95 1owa h TYR 53 CO 0.51 0.06 0.67 0.45 -0.00 0.00 0.00 178.16 179.85 1owa h HIS 54 N 0.00 1.27 -0.68 4.88 3.86 -1.98 0.76 115.15 123.26 1owa h HIS 54 Ca -0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1owa h HIS 54 Cb 0.23 -0.43 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1owa h HIS 54 CO 0.00 0.80 0.41 1.25 0.86 0.00 0.00 177.93 181.25 1owa h LEU 55 N 1.37 0.82 -1.16 2.43 6.46 -1.85 0.57 115.31 123.95 1owa h LEU 55 Ca 0.37 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1owa h LEU 55 Cb -0.16 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.55 1owa h LEU 55 CO -0.08 0.64 -0.03 1.56 -0.62 0.00 0.00 178.44 179.90 1owa h GLN 56 N 0.93 0.55 -0.75 1.25 4.20 -1.25 -0.90 115.11 119.13 1owa h GLN 56 Ca 0.25 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1owa h GLN 56 Cb -0.03 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1owa h GLN 56 CO -0.05 0.60 0.50 0.28 -0.67 0.00 0.00 178.83 179.49 1owa h VAL 57 N 0.52 1.19 -0.98 -0.54 2.07 0.25 1.18 116.25 119.94 1owa h VAL 57 Ca 0.11 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1owa h VAL 57 Cb 0.39 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1owa h VAL 57 CO 0.02 0.19 0.65 0.15 0.02 0.00 0.00 177.57 178.59 1owa h PHE 58 N 1.02 1.23 -0.72 1.57 3.57 -0.21 0.05 116.94 123.45 1owa h PHE 58 Ca 0.28 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1owa h PHE 58 Cb -0.11 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 38.18 1owa h PHE 58 CO -0.02 0.77 0.27 0.87 -2.23 0.00 0.00 178.31 177.97 1owa h LYS 59 N 1.32 1.07 -1.00 1.11 1.57 0.99 -2.63 116.57 119.00 1owa h LYS 59 Ca 0.36 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1owa h LYS 59 Cb -0.15 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 31.94 1owa h LYS 59 CO -0.08 0.88 0.66 0.00 -0.57 0.00 0.00 179.45 180.34 1owa h ARG 60 N 1.04 1.32 -0.98 3.15 3.08 0.31 -1.66 114.38 120.64 1owa h ARG 60 Ca 0.24 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1owa h ARG 60 Cb 0.22 -0.30 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1owa h ARG 60 CO -0.02 0.87 0.62 -0.44 -1.07 0.00 0.00 179.97 179.94 1owa h ASP 61 N 1.36 1.15 -1.01 7.04 3.32 -0.98 0.62 116.42 127.93 1owa h ASP 61 Ca 0.37 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.38 1owa h ASP 61 Cb -0.16 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.05 1owa h ASP 61 CO -0.08 0.86 0.67 0.00 -1.72 0.00 0.00 179.24 178.97 1owa h ALA 62 N 1.34 1.28 -0.25 3.45 0.00 -1.15 0.92 119.26 124.86 1owa h ALA 62 Ca 0.36 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1owa h ALA 62 Cb -0.11 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.28 1owa h ALA 62 CO -0.07 0.65 -0.29 -0.44 0.00 0.00 0.00 179.25 179.10 1owa h ASP 63 N 1.35 0.69 -0.90 0.00 3.32 -0.94 -0.13 116.42 119.82 1owa h ASP 63 Ca 0.37 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1owa h ASP 63 Cb -0.14 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 1owa h ASP 63 CO -0.09 1.04 0.52 0.44 -1.72 0.00 0.00 179.24 179.43 1owa h ASP 64 N 0.36 1.10 0.02 6.45 3.32 -0.26 1.22 116.42 128.63 1owa h ASP 64 Ca 0.04 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1owa h ASP 64 Cb 0.86 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1owa h ASP 64 CO 0.07 0.86 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.37 1owa h LEU 65 N 1.25 -0.02 -1.24 1.55 3.38 0.11 0.15 115.31 120.49 1owa h LEU 65 Ca 0.32 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1owa h LEU 65 Cb -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1owa h LEU 65 CO -0.06 0.17 0.11 1.23 0.09 0.00 0.00 178.44 179.98 1owa h GLY 66 N -0.22 0.68 1.01 0.83 0.00 -0.59 -2.08 103.07 102.70 1owa h GLY 66 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.98 1owa h GLY 66 CO 0.00 0.34 0.66 1.70 0.00 0.00 0.00 176.54 179.25 1owa h LYS 67 N 0.62 1.32 -0.70 4.80 3.64 0.21 -1.50 116.57 124.96 1owa h LYS 67 Ca 0.14 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1owa h LYS 67 Cb 0.23 -0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1owa h LYS 67 CO -0.00 0.88 0.46 2.35 -2.27 0.00 0.00 179.45 180.87 1owa h TRP 68 N 1.36 0.88 -0.61 1.91 7.01 -0.26 -0.65 115.95 125.60 1owa h TRP 68 Ca 0.37 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.29 1owa h TRP 68 Cb -0.16 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.59 1owa h TRP 68 CO -0.00 0.55 -0.02 0.82 -2.79 0.00 0.00 178.44 177.01 1owa h ILE 69 N 0.95 1.27 -0.58 2.65 2.04 -1.34 -2.08 117.51 120.41 1owa h ILE 69 Ca 0.26 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.95 1owa h ILE 69 Cb -0.11 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1owa h ILE 69 CO -0.06 0.43 0.38 -0.03 0.00 0.00 0.00 178.15 178.87 1owa h MET 70 N 0.98 0.76 -0.02 2.37 4.05 -0.67 0.66 114.93 123.06 1owa h MET 70 Ca 0.17 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1owa h MET 70 Cb 0.58 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1owa h MET 70 CO 0.03 0.50 -0.03 0.93 0.23 0.00 0.00 176.91 178.58 1owa h GLU 71 N 0.78 0.05 -0.83 0.39 5.08 -0.78 0.13 114.58 119.40 1owa h GLU 71 Ca 0.21 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1owa h GLU 71 Cb -0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1owa h GLU 71 CO -0.05 0.57 0.36 0.87 -1.00 0.00 0.00 179.01 179.76 1owa h LYS 72 N -0.47 1.22 -0.35 2.33 1.79 -1.00 0.21 116.57 120.31 1owa h LYS 72 Ca 0.00 -0.20 -0.16 0.00 -2.18 0.00 0.00 60.65 58.11 1owa h LYS 72 Cb 0.56 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1owa h LYS 72 CO 0.01 0.96 -0.39 -0.24 -1.08 0.00 0.00 179.45 178.71 1owa h VAL 73 N 1.19 1.28 -0.37 0.50 3.04 0.33 0.93 116.25 123.14 1owa h VAL 73 Ca 0.28 -1.56 -0.02 0.00 -1.01 0.00 0.00 66.70 64.39 1owa h VAL 73 Cb 0.18 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1owa h VAL 73 CO -0.03 0.52 0.16 0.78 -1.01 0.00 0.00 177.57 177.99 1owa h ASN 74 N 0.67 0.50 -0.64 3.17 2.35 -0.44 1.25 115.58 122.45 1owa h ASN 74 Ca 0.05 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1owa h ASN 74 Cb 0.98 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 1owa h ASN 74 CO 0.09 0.52 0.22 -0.29 -1.65 0.00 0.00 177.43 176.33 1owa h ILE 75 N 0.46 1.24 -0.76 2.81 2.10 -0.94 1.05 117.51 123.47 1owa h ILE 75 Ca 0.12 -0.82 -0.02 0.00 1.08 0.00 0.00 64.86 65.23 1owa h ILE 75 Cb 0.17 0.49 -0.04 0.00 -1.09 0.00 0.00 36.82 36.35 1owa h ILE 75 CO -0.01 0.32 0.42 0.25 -1.08 0.00 0.00 178.15 178.04 1owa h LEU 76 N 0.98 0.96 -0.84 2.19 5.85 0.30 -0.34 115.31 124.41 1owa h LEU 76 Ca 0.22 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1owa h LEU 76 Cb 0.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1owa h LEU 76 CO -0.01 0.78 -0.35 0.71 -0.34 0.00 0.00 178.44 179.23 1owa h THR 77 N 1.06 0.79 -0.22 1.05 1.35 0.27 -3.25 112.91 113.95 1owa h THR 77 Ca 0.27 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1owa h THR 77 Cb 0.04 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1owa h THR 77 CO -0.04 0.35 0.15 0.44 -0.25 0.00 0.00 175.52 176.16 1owa h ASP 78 N 0.00 0.26 0.24 5.36 3.32 0.29 -0.16 116.42 125.73 1owa h ASP 78 Ca -0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1owa h ASP 78 Cb 0.93 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 1owa h ASP 78 CO 0.05 0.19 -0.08 0.07 -1.72 0.00 0.00 179.24 177.74 1owa h LYS 79 N 0.30 0.00 -0.87 3.56 2.10 -1.52 -2.07 116.57 118.06 1owa h LYS 79 Ca 0.08 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 1owa h LYS 79 Cb -0.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.25 1owa h LYS 79 CO -0.02 0.08 0.44 0.77 -2.00 0.00 0.00 179.45 178.73 1owa h SER 80 N 0.00 1.13 -0.07 7.07 0.02 -1.08 -1.66 113.55 118.96 1owa h SER 80 Ca -0.00 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1owa h SER 80 Cb 0.23 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1owa h SER 80 CO 0.01 0.93 -0.01 1.88 -1.14 0.00 0.00 176.83 178.50 1owa h TYR 81 N 1.24 -0.03 0.00 3.45 -1.99 -0.96 -3.40 116.97 115.28 1owa h TYR 81 Ca 0.30 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1owa h TYR 81 Cb 0.09 0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1owa h TYR 81 CO 0.01 -0.03 0.00 0.39 -0.00 0.00 0.00 178.16 178.54 1owa n GLU 82 N -5.12 0.00 -3.56 4.88 1.02 -1.18 -5.11 120.64 111.56 1owa n GLU 82 Ca -0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.02 1owa n GLU 82 Cb 0.06 -0.25 -0.02 0.00 -0.02 0.00 0.00 31.44 31.21 1owa n GLU 82 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1owa s ASP 83 N -1.01 -0.24 -1.40 1.62 1.47 -0.63 -5.06 116.67 111.41 1owa s ASP 83 Ca 0.00 0.04 -0.09 0.00 1.18 0.00 0.00 52.55 53.68 1owa s ASP 83 Cb 0.00 0.25 0.07 0.00 -0.34 0.00 0.00 42.92 42.90 1owa s ASP 83 CO 0.00 -0.39 2.31 -0.81 0.68 0.00 0.00 175.17 176.97 1owa n PRO 84 N -0.05 3.74 -2.82 2.11 -0.04 -1.26 -4.75 135.00 131.93 1owa n PRO 84 Ca -0.04 -3.04 -0.41 0.00 -0.04 0.00 0.00 63.50 59.98 1owa n PRO 84 Cb 0.60 -2.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 1owa n PRO 84 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1owa s THR 85 N 0.94 4.55 -0.02 0.52 2.01 -1.26 -5.02 115.64 117.36 1owa s THR 85 Ca 0.51 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 64.13 1owa s THR 85 Cb 0.15 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1owa s THR 85 CO -0.06 0.35 1.13 0.21 -0.69 0.00 0.00 174.62 175.56 1owa s ASN 86 N -0.13 7.15 0.09 3.53 3.84 -1.26 -4.96 114.94 123.20 1owa s ASN 86 Ca 0.43 1.80 -0.18 0.00 0.21 0.00 0.00 52.86 55.12 1owa s ASN 86 Cb -0.23 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1owa s ASN 86 CO 0.28 -0.46 0.44 0.27 -2.79 0.00 0.00 177.10 174.83 1owa s ILE 87 N 1.60 0.05 0.31 -5.21 -4.36 -1.26 -5.05 121.20 107.28 1owa s ILE 87 Ca 0.55 -0.44 -0.01 0.00 -0.26 0.00 0.00 60.65 60.49 1owa s ILE 87 Cb -0.24 -1.06 0.26 0.00 1.25 0.00 0.00 42.46 42.67 1owa s ILE 87 CO 0.25 -0.24 1.98 1.56 0.24 0.00 0.00 174.94 178.72 1owa h GLN 88 N 2.59 1.04 -0.37 0.37 4.20 -1.99 -2.51 115.11 118.44 1owa h GLN 88 Ca -0.33 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1owa h GLN 88 Cb 1.24 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1owa h GLN 88 CO 0.44 0.69 0.15 0.78 -0.67 0.00 0.00 178.83 180.22 1owa h GLY 89 N 1.07 0.59 1.02 3.46 0.00 -1.99 -1.21 103.07 106.01 1owa h GLY 89 Ca 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1owa h GLY 89 CO -0.06 0.30 0.51 0.50 0.00 0.00 0.00 176.54 177.79 1owa h LYS 90 N 0.45 1.22 -0.88 4.80 1.57 -1.88 -2.04 116.57 119.81 1owa h LYS 90 Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1owa h LYS 90 Cb 0.18 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1owa h LYS 90 CO -0.01 0.88 0.51 -0.92 -0.57 0.00 0.00 179.45 179.34 1owa h TYR 91 N 1.23 1.18 -0.90 -1.35 3.20 -1.16 -2.34 116.97 116.83 1owa h TYR 91 Ca 0.32 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1owa h TYR 91 Cb -0.01 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 37.84 1owa h TYR 91 CO 0.01 0.79 0.49 1.96 -1.64 0.00 0.00 178.16 179.77 1owa h GLN 92 N 1.22 1.26 -0.99 1.82 4.20 -0.55 -2.05 115.11 120.01 1owa h GLN 92 Ca 0.31 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1owa h GLN 92 Cb -0.02 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 27.46 1owa h GLN 92 CO -0.06 0.92 0.66 0.87 -0.67 0.00 0.00 178.83 180.55 1owa h LYS 93 N 1.26 1.31 -0.12 1.46 1.79 -0.90 -0.32 116.57 121.05 1owa h LYS 93 Ca 0.32 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1owa h LYS 93 Cb 0.04 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 1owa h LYS 93 CO -0.05 0.86 0.08 1.25 -1.08 0.00 0.00 179.45 180.51 1owa h HIS 94 N 1.34 0.15 -0.66 -1.35 2.76 -1.00 0.31 115.15 116.71 1owa h HIS 94 Ca 0.36 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 1owa h HIS 94 Cb -0.16 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1owa h HIS 94 CO 0.00 0.09 0.30 1.96 -1.30 0.00 0.00 177.93 178.99 1owa h GLN 95 N 0.16 0.96 -0.46 5.26 4.20 -0.98 -0.88 115.11 123.36 1owa h GLN 95 Ca 0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1owa h GLN 95 Cb -0.02 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1owa h GLN 95 CO -0.01 0.77 0.19 1.03 -0.67 0.00 0.00 178.83 180.14 1owa h SER 96 N 0.91 0.63 -0.00 1.46 0.87 -0.74 0.20 113.55 116.88 1owa h SER 96 Ca 0.22 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1owa h SER 96 Cb 0.14 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1owa h SER 96 CO -0.03 0.62 0.00 0.25 -0.53 0.00 0.00 176.83 177.14 1owa h LEU 97 N 0.60 0.00 -0.26 2.23 5.85 -0.05 0.30 115.31 123.97 1owa h LEU 97 Ca 0.15 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1owa h LEU 97 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1owa h LEU 97 CO -0.01 0.00 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.98 1owa h GLU 98 N 0.00 0.48 -0.34 1.25 4.81 0.48 0.11 114.58 121.37 1owa h GLU 98 Ca 0.00 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 1owa h GLU 98 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1owa h GLU 98 CO -0.00 0.67 -0.42 0.00 -0.73 0.00 0.00 179.01 178.53 1owa h ALA 99 N 0.80 0.61 -0.94 2.92 0.00 -0.83 -2.88 119.26 118.94 1owa h ALA 99 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1owa h ALA 99 Cb 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1owa h ALA 99 CO 0.02 0.67 0.56 0.93 0.00 0.00 0.00 179.25 181.44 1owa h GLU 100 N 0.69 1.28 -0.01 0.00 4.39 -0.22 1.03 114.58 121.74 1owa h GLU 100 Ca 0.05 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1owa h GLU 100 Cb 1.00 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1owa h GLU 100 CO 0.10 0.90 0.00 0.28 -1.16 0.00 0.00 179.01 179.13 1owa h VAL 101 N 1.30 1.18 -0.93 3.13 2.07 -0.75 0.54 116.25 122.79 1owa h VAL 101 Ca 0.34 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1owa h VAL 101 Cb -0.05 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1owa h VAL 101 CO -0.06 0.14 0.54 -0.61 0.02 0.00 0.00 177.57 177.60 1owa h GLN 102 N -0.21 1.28 -0.08 1.57 4.15 -1.25 -0.16 115.11 120.40 1owa h GLN 102 Ca 0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1owa h GLN 102 Cb 0.23 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1owa h GLN 102 CO 0.00 0.91 -0.06 1.79 -1.93 0.00 0.00 178.83 179.54 1owa h THR 103 N 1.30 1.35 -1.00 2.39 1.35 0.14 -2.75 112.91 115.69 1owa h THR 103 Ca 0.33 -1.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.05 1owa h THR 103 Cb -0.02 1.93 -0.05 0.00 -1.73 0.00 0.00 68.15 68.28 1owa h THR 103 CO -0.06 0.32 0.66 0.50 -0.25 0.00 0.00 175.52 176.70 1owa h LYS 104 N -0.21 1.31 -1.00 4.72 3.64 0.25 -2.01 116.57 123.27 1owa h LYS 104 Ca 0.02 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1owa h LYS 104 Cb 0.55 -0.30 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 1owa h LYS 104 CO 0.02 0.87 0.65 1.03 -2.27 0.00 0.00 179.45 179.75 1owa h SER 105 N 1.35 1.07 -0.83 4.20 0.87 -0.98 -0.80 113.55 118.44 1owa h SER 105 Ca 0.37 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 1owa h SER 105 Cb -0.15 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.54 1owa h SER 105 CO -0.08 0.71 0.36 0.03 -0.53 0.00 0.00 176.83 177.31 1owa h ARG 106 N 1.23 1.22 0.00 2.24 2.47 -1.07 0.34 114.38 120.80 1owa h ARG 106 Ca 0.41 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1owa h ARG 106 Cb 0.07 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1owa h ARG 106 CO -0.15 0.96 -0.00 -0.07 0.56 0.00 0.00 179.97 181.27 1owa h LEU 107 N 1.19 0.00 -0.46 3.04 3.38 -0.80 1.06 115.31 122.73 1owa h LEU 107 Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1owa h LEU 107 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1owa h LEU 107 CO -0.03 0.00 -0.35 0.24 0.09 0.00 0.00 178.44 178.39 1owa h MET 108 N 0.00 0.90 0.01 1.13 2.86 0.88 1.36 114.93 122.07 1owa h MET 108 Ca -0.00 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1owa h MET 108 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1owa h MET 108 CO 0.00 1.10 -0.00 1.03 1.06 0.00 0.00 176.91 180.10 1owa h SER 109 N 0.75 -0.01 -0.62 1.22 0.87 0.31 -0.17 113.55 115.90 1owa h SER 109 Ca 0.07 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1owa h SER 109 Cb 0.93 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 1owa h SER 109 CO 0.09 0.12 0.27 -0.33 -0.53 0.00 0.00 176.83 176.45 1owa h GLU 110 N -0.14 0.94 -1.01 2.24 5.08 0.90 -1.27 114.58 121.32 1owa h GLU 110 Ca -0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1owa h GLU 110 Cb 0.13 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1owa h GLU 110 CO 0.00 0.76 0.67 1.25 -1.00 0.00 0.00 179.01 180.69 1owa h LEU 111 N 0.93 1.16 -0.36 1.33 5.85 0.25 0.80 115.31 125.26 1owa h LEU 111 Ca 0.22 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1owa h LEU 111 Cb 0.16 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1owa h LEU 111 CO -0.02 0.83 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.62 1owa h GLU 112 N 1.36 0.78 -0.63 1.25 4.81 -0.52 -2.42 114.58 119.21 1owa h GLU 112 Ca 0.37 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1owa h GLU 112 Cb -0.15 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1owa h GLU 112 CO -0.08 0.98 0.41 0.87 -0.73 0.00 0.00 179.01 180.46 1owa h LYS 113 N 0.57 0.83 -0.85 1.92 1.79 -0.37 -1.73 116.57 118.73 1owa h LYS 113 Ca 0.08 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1owa h LYS 113 Cb 0.76 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 1owa h LYS 113 CO 0.06 0.56 0.56 1.15 -1.08 0.00 0.00 179.45 180.70 1owa h THR 114 N 0.86 1.19 -0.56 -0.16 2.02 0.11 0.87 112.91 117.24 1owa h THR 114 Ca 0.23 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1owa h THR 114 Cb -0.09 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.27 1owa h THR 114 CO -0.05 0.20 0.37 -0.09 0.37 0.00 0.00 175.52 176.32 1owa h ARG 115 N 1.12 0.72 -0.06 6.66 2.43 -1.11 -0.60 114.38 123.54 1owa h ARG 115 Ca 0.32 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 1owa h ARG 115 Cb -0.07 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1owa h ARG 115 CO -0.08 0.48 -0.44 1.49 -1.51 0.00 0.00 179.97 179.91 1owa h GLU 116 N 0.74 0.15 -1.01 0.20 4.81 -1.09 -3.06 114.58 115.32 1owa h GLU 116 Ca 0.21 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1owa h GLU 116 Cb -0.07 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 1owa h GLU 116 CO -0.05 0.57 0.65 1.49 -0.73 0.00 0.00 179.01 180.94 1owa h GLU 117 N 0.12 1.15 -4.19 1.92 4.81 0.23 -3.35 114.58 115.27 1owa h GLU 117 Ca 0.01 -0.07 -0.75 0.00 -0.13 0.00 0.00 59.36 58.42 1owa h GLU 117 Cb 0.83 -0.26 -0.24 0.00 0.63 0.00 0.00 28.75 29.71 1owa h GLU 117 CO 0.06 0.76 -0.28 1.03 -0.73 0.00 0.00 179.01 179.85 1owa s ARG 118 N -6.04 2.92 0.00 1.92 0.52 -0.94 -4.95 118.95 112.37 1owa s ARG 118 Ca -0.12 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 1owa s ARG 118 Cb 0.20 -4.19 0.00 0.00 0.52 0.00 0.00 34.95 31.49 1owa s ARG 118 CO 0.81 -1.20 0.00 1.97 0.02 0.00 0.00 175.30 176.90 1owa n PHE 119 N 5.19 0.00 -1.94 -0.53 -1.74 -1.26 -1.73 117.46 115.45 1owa n PHE 119 Ca -0.13 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.76 1owa n PHE 119 Cb 0.41 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.41 1owa n PHE 119 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1owa n THR 120 N 0.00 0.00 -0.71 1.97 5.66 -1.26 -4.82 114.28 115.12 1owa n THR 120 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1owa n THR 120 Cb 0.00 0.04 -0.02 0.00 -1.55 0.00 0.00 70.33 68.80 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 0.00 -1.39 -2.82 1.09 2.81 -0.70 -4.81 117.12 111.29 1owa n MET 121 Ca -0.02 0.93 -0.29 0.00 -1.81 0.00 0.00 57.70 56.51 1owa n MET 121 Cb 0.49 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 1owa n MET 121 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1owa s GLY 122 N -4.03 1.75 0.18 3.03 0.00 -1.26 -4.98 107.32 102.02 1owa s GLY 122 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 1owa s GLY 122 CO 0.00 -0.19 1.65 1.12 0.00 0.00 0.00 173.10 175.68 1owa h HIS 123 N 0.89 1.17 -0.04 1.90 2.07 -2.00 -0.70 115.15 118.43 1owa h HIS 123 Ca -0.47 -0.19 -0.26 0.00 -2.85 0.00 0.00 60.37 56.60 1owa h HIS 123 Cb 1.19 -0.31 0.02 0.00 2.57 0.00 0.00 27.41 30.89 1owa h HIS 123 CO 0.59 1.01 -0.97 0.66 -3.07 0.00 0.00 177.93 176.15 1owa h SER 124 N 0.98 0.93 0.01 3.10 4.64 -2.00 -2.84 113.55 118.37 1owa h SER 124 Ca 0.18 -0.71 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1owa h SER 124 Cb 0.53 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1owa h SER 124 CO 0.03 1.51 -0.00 0.00 -0.87 0.00 0.00 176.83 177.49 1owa h ALA 125 N 0.44 1.26 -0.41 5.18 0.00 -1.92 -0.63 119.26 123.18 1owa h ALA 125 Ca -0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1owa h ALA 125 Cb 1.62 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1owa h ALA 125 CO 0.19 0.00 0.06 0.45 0.00 0.00 0.00 179.25 179.96 1owa h HIS 126 N 0.00 0.73 -0.47 0.00 3.86 -0.87 -0.44 115.15 117.96 1owa h HIS 126 Ca -0.00 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1owa h HIS 126 Cb 0.01 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1owa h HIS 126 CO 0.00 0.71 0.29 0.93 0.86 0.00 0.00 177.93 180.72 1owa h GLU 127 N 0.54 0.64 -0.36 2.45 5.08 -1.18 -0.23 114.58 121.52 1owa h GLU 127 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1owa h GLU 127 Cb 0.38 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1owa h GLU 127 CO 0.01 0.46 0.16 1.49 -1.00 0.00 0.00 179.01 180.13 1owa h GLU 128 N 0.63 0.53 -0.62 2.33 4.81 -1.30 -1.95 114.58 119.00 1owa h GLU 128 Ca 0.17 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1owa h GLU 128 Cb -0.02 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1owa h GLU 128 CO -0.03 0.49 0.17 1.15 -0.73 0.00 0.00 179.01 180.05 1owa h THR 129 N 0.44 1.25 -1.00 0.32 2.02 -0.87 -1.71 112.91 113.36 1owa h THR 129 Ca 0.12 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.42 1owa h THR 129 Cb 0.14 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1owa h THR 129 CO -0.01 0.34 0.66 0.11 0.37 0.00 0.00 175.52 176.99 1owa h LYS 130 N 0.90 1.31 -0.53 6.66 1.57 -0.87 -1.92 116.57 123.69 1owa h LYS 130 Ca 0.20 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 1owa h LYS 130 Cb 0.33 -0.30 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1owa h LYS 130 CO -0.00 0.87 -0.15 0.00 -0.57 0.00 0.00 179.45 179.60 1owa h ALA 131 N 1.37 0.73 -0.35 3.86 0.00 -1.03 -1.23 119.26 122.60 1owa h ALA 131 Ca 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1owa h ALA 131 Cb -0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1owa h ALA 131 CO -0.08 0.67 0.23 0.45 0.00 0.00 0.00 179.25 180.52 1owa h HIS 132 N 0.90 0.45 -0.38 0.00 3.86 -0.71 0.88 115.15 120.15 1owa h HIS 132 Ca 0.13 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 1owa h HIS 132 Cb 0.72 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1owa h HIS 132 CO 0.05 0.28 -0.36 0.97 0.86 0.00 0.00 177.93 179.74 1owa h ILE 133 N 0.48 1.27 -0.59 2.45 2.10 -1.32 -3.03 117.51 118.88 1owa h ILE 133 Ca 0.13 -1.53 -0.05 0.00 1.08 0.00 0.00 64.86 64.49 1owa h ILE 133 Cb -0.05 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 1owa h ILE 133 CO -0.03 0.51 0.17 -0.33 -1.08 0.00 0.00 178.15 177.39 1owa h GLU 134 N 0.73 0.93 -0.84 2.19 5.08 -1.01 -2.70 114.58 118.96 1owa h GLU 134 Ca 0.06 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1owa h GLU 134 Cb 0.95 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1owa h GLU 134 CO 0.09 0.84 0.56 1.49 -1.00 0.00 0.00 179.01 180.99 1owa h GLU 135 N 0.84 1.10 -0.82 2.33 4.57 -0.82 -2.38 114.58 119.41 1owa h GLU 135 Ca 0.19 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1owa h GLU 135 Cb 0.31 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1owa h GLU 135 CO -0.00 0.73 0.35 -0.07 -1.18 0.00 0.00 179.01 178.84 1owa h LEU 136 N 1.14 1.11 -0.88 1.64 4.07 -1.40 -2.02 115.31 118.97 1owa h LEU 136 Ca 0.31 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1owa h LEU 136 Cb -0.12 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.29 1owa h LEU 136 CO -0.07 0.96 0.46 0.03 -1.08 0.00 0.00 178.44 178.74 1owa h ARG 137 N 1.18 1.24 -0.62 1.13 3.08 -1.12 -0.01 114.38 119.27 1owa h ARG 137 Ca 0.28 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1owa h ARG 137 Cb 0.18 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1owa h ARG 137 CO -0.03 0.93 0.01 0.45 -1.07 0.00 0.00 179.97 180.26 1owa h HIS 138 N 1.24 1.18 -0.68 3.04 3.86 -1.10 -2.45 115.15 120.24 1owa h HIS 138 Ca 0.31 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1owa h HIS 138 Cb 0.06 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1owa h HIS 138 CO 0.01 1.03 0.11 -0.07 0.86 0.00 0.00 177.93 179.87 1owa h LEU 139 N 0.99 1.08 -0.76 2.43 3.38 -0.86 -2.81 115.31 118.75 1owa h LEU 139 Ca 0.18 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1owa h LEU 139 Cb 0.55 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1owa h LEU 139 CO 0.03 1.07 0.50 -0.50 0.09 0.00 0.00 178.44 179.63 1owa h TRP 140 N 1.05 0.95 -0.14 1.13 6.55 -0.80 -0.33 115.95 124.36 1owa h TRP 140 Ca 0.21 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.07 1owa h TRP 140 Cb 0.44 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 1owa h TRP 140 CO 0.03 0.60 0.09 0.22 -1.05 0.00 0.00 178.44 178.34 1owa h ASP 141 N 1.03 0.16 -0.84 -3.49 1.82 -1.20 0.57 116.42 114.47 1owa h ASP 141 Ca 0.28 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 1owa h ASP 141 Cb -0.11 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 39.82 1owa h ASP 141 CO -0.06 0.12 0.45 -0.07 -1.61 0.00 0.00 179.24 178.06 1owa h LEU 142 N 0.19 1.07 -0.83 2.28 3.38 -1.26 -1.67 115.31 118.47 1owa h LEU 142 Ca 0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1owa h LEU 142 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1owa h LEU 142 CO -0.01 0.87 -0.01 -0.07 0.09 0.00 0.00 178.44 179.31 1owa h LEU 143 N 1.18 0.84 -0.10 1.67 3.38 -0.51 0.22 115.31 121.99 1owa h LEU 143 Ca 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1owa h LEU 143 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1owa h LEU 143 CO -0.04 0.91 0.06 -0.07 0.09 0.00 0.00 178.44 179.39 1owa h LEU 144 N 0.80 0.11 -1.00 1.67 3.38 0.75 1.18 115.31 122.20 1owa h LEU 144 Ca 0.15 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1owa h LEU 144 Cb 0.50 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1owa h LEU 144 CO 0.02 0.08 0.67 -0.33 0.09 0.00 0.00 178.44 178.97 1owa h GLU 145 N 0.13 1.32 -0.86 1.13 5.08 -1.11 0.52 114.58 120.79 1owa h GLU 145 Ca 0.04 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1owa h GLU 145 Cb -0.01 -0.30 -0.04 0.00 0.50 0.00 0.00 28.75 28.90 1owa h GLU 145 CO -0.01 0.87 0.45 -0.07 -1.00 0.00 0.00 179.01 179.25 1owa h LEU 146 N 1.36 1.10 -0.38 1.33 -0.00 0.59 0.79 115.31 120.11 1owa h LEU 146 Ca 0.37 -0.12 -0.09 0.00 -0.00 0.00 0.00 57.88 58.04 1owa h LEU 146 Cb -0.16 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.21 1owa h LEU 146 CO -0.08 0.91 -0.11 0.74 -0.00 0.00 0.00 178.44 179.90 1owa h THR 147 N 1.22 1.28 -0.90 0.22 2.02 0.25 -1.91 112.91 115.09 1owa h THR 147 Ca 0.30 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1owa h THR 147 Cb 0.07 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1owa h THR 147 CO -0.04 0.40 0.54 -0.07 0.37 0.00 0.00 175.52 176.72 1owa h LEU 148 N 0.54 1.09 -0.27 2.58 3.38 0.60 -0.26 115.31 122.96 1owa h LEU 148 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1owa h LEU 148 Cb 0.63 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1owa h LEU 148 CO 0.04 0.83 0.18 -0.33 0.09 0.00 0.00 178.44 179.25 1owa h GLU 149 N 1.25 0.36 -0.36 1.13 5.08 0.11 -1.08 114.58 121.06 1owa h GLU 149 Ca 0.32 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1owa h GLU 149 Cb -0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1owa h GLU 149 CO -0.06 0.24 -0.41 1.57 -1.00 0.00 0.00 179.01 179.34 1owa h LYS 150 N 0.37 0.90 -0.99 2.33 2.10 -1.05 -3.03 116.57 117.20 1owa h LYS 150 Ca 0.10 -0.49 0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1owa h LYS 150 Cb -0.04 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.26 1owa h LYS 150 CO -0.02 1.14 0.66 0.78 -2.00 0.00 0.00 179.45 180.00 1owa h GLY 151 N 0.79 1.39 1.00 0.07 0.00 -0.83 0.64 103.07 106.14 1owa h GLY 151 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1owa h GLY 151 CO 0.10 0.51 0.03 -1.80 0.00 0.00 0.00 176.54 175.37 1owa h ASP 152 N 1.34 0.05 0.46 0.19 1.82 -1.16 -0.62 116.42 118.50 1owa h ASP 152 Ca 0.36 -0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.93 1owa h ASP 152 Cb -0.15 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1owa h ASP 152 CO -0.08 0.04 -0.34 -0.61 -1.61 0.00 0.00 179.24 176.63 1owa h GLN 153 N 0.06 0.00 0.00 0.28 4.15 -1.35 -2.18 115.11 116.07 1owa h GLN 153 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1owa h GLN 153 Cb -0.01 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1owa h GLN 153 CO -0.00 0.34 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.08 1owa h LEU 154 N 0.00 0.00 -9.83 -2.39 -0.00 0.14 -3.44 115.31 99.80 1owa h LEU 154 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 1owa h LEU 154 Cb 0.67 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 41.40 1owa h LEU 154 CO 0.04 0.10 0.72 -0.76 -0.00 0.00 0.00 178.44 178.54 1owa s LEU 155 N -6.60 4.39 0.00 1.67 1.43 -0.35 -5.01 118.68 114.21 1owa s LEU 155 Ca -0.00 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1owa s LEU 155 Cb 0.11 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1owa s LEU 155 CO 0.57 -0.66 0.00 0.54 0.23 0.00 0.00 176.35 177.03