#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 -6.48 2.12 5.08 -2.14 -3.43 114.58 110.66 1owa h GLU 2 Ca 0.00 -0.51 -0.53 0.00 -1.00 0.00 0.00 59.36 57.32 1owa h GLU 2 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1owa h GLU 2 CO 0.00 1.16 0.50 -0.65 -1.00 0.00 0.00 179.01 179.02 1owa s GLN 3 N -4.36 4.48 0.32 2.33 -0.21 -1.26 -5.03 119.66 115.93 1owa s GLN 3 Ca -0.11 1.67 -0.16 0.00 0.02 0.00 0.00 55.36 56.79 1owa s GLN 3 Cb 0.11 -3.37 -0.09 0.00 1.00 0.00 0.00 33.01 30.66 1owa s GLN 3 CO 0.88 -0.17 0.74 -0.59 -2.12 0.00 0.00 175.29 174.03 1owa s PHE 4 N 0.92 3.40 0.33 0.91 -0.12 -1.26 -5.04 117.98 117.12 1owa s PHE 4 Ca 0.56 1.25 -0.29 0.00 -0.05 0.00 0.00 56.93 58.40 1owa s PHE 4 Cb -0.27 -2.55 -0.10 0.00 -0.63 0.00 0.00 43.02 39.46 1owa s PHE 4 CO 0.29 0.11 1.36 -1.25 -0.05 0.00 0.00 175.22 175.69 1owa s PRO 5 N -2.88 4.29 0.00 1.99 0.04 -1.26 -4.91 135.00 132.27 1owa s PRO 5 Ca 0.53 2.30 0.28 0.00 0.04 0.00 0.00 61.00 64.16 1owa s PRO 5 Cb -0.11 -3.05 1.37 0.00 0.04 0.00 0.00 34.50 32.75 1owa s PRO 5 CO 0.18 -0.29 1.96 1.63 0.04 0.00 0.00 177.00 180.52 1owa n LYS 6 N 0.89 0.29 -3.29 4.56 5.02 -1.26 -4.72 118.16 119.65 1owa n LYS 6 Ca 0.01 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 1owa n LYS 6 Cb 0.41 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.69 4.05 0.06 1.97 2.56 -1.26 -5.05 118.70 118.33 1owa s GLU 7 Ca 0.23 0.22 -0.30 0.00 0.00 0.00 0.00 54.97 55.12 1owa s GLU 7 Cb 0.19 -3.65 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 1owa s GLU 7 CO 0.46 -0.32 0.97 0.99 -0.56 0.00 0.00 175.26 176.79 1owa s THR 8 N 2.22 4.68 -0.25 -1.70 2.01 -1.26 -5.02 115.64 116.32 1owa s THR 8 Ca 0.19 2.07 -0.21 0.00 0.31 0.00 0.00 61.69 64.05 1owa s THR 8 Cb -0.16 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1owa s THR 8 CO 0.09 0.24 0.65 0.54 -0.69 0.00 0.00 174.62 175.46 1owa s VAL 9 N 0.50 4.97 -0.26 3.82 0.11 -1.26 -5.03 120.40 123.25 1owa s VAL 9 Ca 0.49 1.18 -0.25 0.00 -2.93 0.00 0.00 61.98 60.48 1owa s VAL 9 Cb -0.22 -3.96 -0.00 0.00 -1.53 0.00 0.00 36.38 30.67 1owa s VAL 9 CO 0.29 0.01 0.85 -0.69 -3.33 0.00 0.00 175.10 172.23 1owa s VAL 10 N 2.55 4.80 0.01 2.04 1.01 -1.26 -5.03 120.40 124.52 1owa s VAL 10 Ca 0.27 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.49 1owa s VAL 10 Cb -0.15 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1owa s VAL 10 CO 0.08 -0.14 0.91 -1.61 0.00 0.00 0.00 175.10 174.34 1owa s GLU 11 N 2.94 4.56 -0.04 2.72 2.02 -1.26 -5.02 118.70 124.61 1owa s GLU 11 Ca 0.36 1.30 -0.30 0.00 0.02 0.00 0.00 54.97 56.35 1owa s GLU 11 Cb -0.15 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 1owa s GLU 11 CO 0.09 0.04 1.09 -1.12 0.02 0.00 0.00 175.26 175.38 1owa s SER 12 N 0.71 7.19 0.00 -0.19 0.01 -1.26 -4.72 113.70 115.45 1owa s SER 12 Ca 0.47 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1owa s SER 12 Cb -0.21 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1owa s SER 12 CO 0.26 -0.45 0.00 -0.24 0.41 0.00 0.00 173.24 173.22 1owa n SER 13 N 4.68 0.00 0.00 2.44 2.88 -1.26 -5.17 113.62 117.19 1owa n SER 13 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1owa n SER 13 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1owa n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1owa n GLY 14 N -0.30 -0.74 3.67 0.46 0.00 -1.26 -5.13 105.19 101.89 1owa n GLY 14 Ca 0.00 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 1owa n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1owa n PRO 15 N 0.00 2.05 -2.73 1.61 -0.02 -1.26 -4.93 135.00 129.71 1owa n PRO 15 Ca 0.00 0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 62.12 1owa n PRO 15 Cb 0.00 -2.41 0.09 0.00 -0.02 0.00 0.00 33.50 31.16 1owa n PRO 15 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1owa n LYS 16 N 2.34 1.01 -2.60 -0.52 2.85 -1.26 -5.13 118.16 114.86 1owa n LYS 16 Ca 0.13 -1.93 -0.42 0.00 -1.05 0.00 0.00 58.31 55.04 1owa n LYS 16 Cb 0.31 -1.04 -0.03 0.00 -0.65 0.00 0.00 35.03 33.61 1owa n LYS 16 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1owa s VAL 17 N 0.28 4.50 0.03 0.58 -7.23 -1.26 -5.01 120.40 112.29 1owa s VAL 17 Ca 0.22 1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 61.91 1owa s VAL 17 Cb 0.29 -4.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1owa s VAL 17 CO -0.06 0.16 1.06 -0.76 -0.31 0.00 0.00 175.10 175.19 1owa s LEU 18 N 0.92 4.38 -0.25 1.32 1.43 -1.26 -5.02 118.68 120.20 1owa s LEU 18 Ca 0.54 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 1owa s LEU 18 Cb -0.25 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.46 1owa s LEU 18 CO 0.29 -0.33 -0.07 -0.70 0.23 0.00 0.00 176.35 175.77 1owa s GLU 19 N 0.94 1.90 0.47 1.70 2.12 -1.26 -5.07 118.70 119.51 1owa s GLU 19 Ca 0.54 -1.22 -0.10 0.00 0.36 0.00 0.00 54.97 54.55 1owa s GLU 19 Cb -0.24 -2.76 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 1owa s GLU 19 CO 0.29 -0.61 0.84 0.99 -0.54 0.00 0.00 175.26 176.23 1owa s THR 20 N 1.22 4.76 0.10 -1.70 2.01 -1.26 -4.86 115.64 115.92 1owa s THR 20 Ca -0.06 0.65 -0.19 0.00 0.31 0.00 0.00 61.69 62.40 1owa s THR 20 Cb -0.19 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1owa s THR 20 CO -0.06 -0.70 1.65 0.00 -0.69 0.00 0.00 174.62 174.81 1owa h ALA 21 N 0.77 0.31 -0.32 7.40 0.00 -1.99 1.70 119.26 127.12 1owa h ALA 21 Ca -0.47 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 1owa h ALA 21 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1owa h ALA 21 CO 0.63 -0.11 -0.36 0.93 0.00 0.00 0.00 179.25 180.34 1owa h GLU 22 N 0.23 0.81 -0.25 0.00 5.08 -1.96 1.51 114.58 120.00 1owa h GLU 22 Ca 0.08 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1owa h GLU 22 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1owa h GLU 22 CO -0.01 1.08 0.13 0.93 -1.00 0.00 0.00 179.01 180.14 1owa h GLU 23 N 0.59 0.36 -0.23 2.33 5.08 -1.85 0.89 114.58 121.74 1owa h GLU 23 Ca 0.05 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1owa h GLU 23 Cb 0.95 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1owa h GLU 23 CO 0.09 0.34 -0.15 0.97 -1.00 0.00 0.00 179.01 179.26 1owa h ILE 24 N 0.29 1.31 -0.38 3.13 2.10 0.26 -1.42 117.51 122.80 1owa h ILE 24 Ca 0.09 -1.25 0.00 0.00 1.08 0.00 0.00 64.86 64.78 1owa h ILE 24 Cb 0.09 1.63 -0.02 0.00 -1.09 0.00 0.00 36.82 37.43 1owa h ILE 24 CO -0.01 0.39 0.25 -0.61 -1.08 0.00 0.00 178.15 177.08 1owa h GLN 25 N 0.21 0.50 -0.01 2.19 4.15 0.24 1.50 115.11 123.89 1owa h GLN 25 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1owa h GLN 25 Cb 0.66 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1owa h GLN 25 CO 0.04 0.33 0.00 0.93 -1.93 0.00 0.00 178.83 178.20 1owa h GLU 26 N 0.51 0.01 -0.45 1.69 5.08 0.81 -0.76 114.58 121.47 1owa h GLU 26 Ca 0.14 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1owa h GLU 26 Cb -0.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1owa h GLU 26 CO -0.03 0.06 0.18 -0.09 -1.00 0.00 0.00 179.01 178.12 1owa h ARG 27 N -0.04 0.64 -0.56 2.33 2.43 -1.01 -2.49 114.38 115.68 1owa h ARG 27 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 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 -0.00 0.53 0.37 -0.09 -1.51 0.00 0.00 179.97 179.27 1owa h ARG 28 N 0.64 0.74 -0.45 0.20 2.43 0.32 0.46 114.38 118.71 1owa h ARG 28 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1owa h ARG 28 Cb 0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1owa h ARG 28 CO -0.02 0.49 0.21 1.96 -1.51 0.00 0.00 179.97 181.11 1owa h GLN 29 N 0.76 0.66 -0.29 0.20 4.20 -0.73 -2.67 115.11 117.24 1owa h GLN 29 Ca 0.21 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1owa h GLN 29 Cb -0.08 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1owa h GLN 29 CO -0.04 0.56 -0.32 0.93 -0.67 0.00 0.00 178.83 179.29 1owa h GLU 30 N 0.59 0.73 -0.81 1.46 5.08 -1.20 -3.14 114.58 117.29 1owa h GLU 30 Ca 0.16 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1owa h GLU 30 Cb 0.13 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1owa h GLU 30 CO -0.02 1.02 0.54 -0.39 -1.00 0.00 0.00 179.01 179.16 1owa h VAL 31 N 0.48 1.21 -0.62 3.13 -1.51 -0.03 0.27 116.25 119.18 1owa h VAL 31 Ca 0.04 -0.38 0.01 0.00 -1.23 0.00 0.00 66.70 65.14 1owa h VAL 31 Cb 0.90 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.05 1owa h VAL 31 CO 0.08 0.20 0.41 -0.07 -1.23 0.00 0.00 177.57 176.96 1owa h LEU 32 N 1.10 0.72 -0.34 4.19 -0.00 -1.51 0.63 115.31 120.09 1owa h LEU 32 Ca 0.30 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.88 57.99 1owa h LEU 32 Cb -0.13 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.35 1owa h LEU 32 CO -0.06 0.52 -0.43 0.71 -0.00 0.00 0.00 178.44 179.18 1owa h THR 33 N 0.84 1.27 -0.63 0.22 1.35 -1.39 -2.89 112.91 111.69 1owa h THR 33 Ca 0.23 -1.60 -0.10 0.00 -0.55 0.00 0.00 66.41 64.39 1owa h THR 33 Cb -0.09 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1owa h THR 33 CO -0.05 0.53 0.02 0.03 -0.25 0.00 0.00 175.52 175.80 1owa h ARG 34 N 0.70 1.09 -0.87 4.72 3.08 -0.11 -2.69 114.38 120.30 1owa h ARG 34 Ca 0.04 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 59.80 1owa h ARG 34 Cb 1.03 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 1owa h ARG 34 CO 0.10 1.05 0.55 -0.92 -1.07 0.00 0.00 179.97 179.69 1owa h TYR 35 N 1.00 1.04 -0.56 3.04 5.03 0.33 -1.17 116.97 125.67 1owa h TYR 35 Ca 0.18 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.41 1owa h TYR 35 Cb 0.54 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1owa h TYR 35 CO 0.04 0.58 -0.09 1.96 -1.32 0.00 0.00 178.16 179.33 1owa h GLN 36 N 1.06 1.05 -0.74 1.82 4.20 -1.35 -2.83 115.11 118.32 1owa h GLN 36 Ca 0.35 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1owa h GLN 36 Cb 0.05 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1owa h GLN 36 CO -0.13 1.08 0.41 0.66 -0.67 0.00 0.00 178.83 180.17 1owa h SER 37 N 0.94 0.90 -0.11 1.46 4.64 -1.04 0.34 113.55 120.69 1owa h SER 37 Ca 0.15 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1owa h SER 37 Cb 0.66 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1owa h SER 37 CO 0.05 0.73 0.06 -0.26 -0.87 0.00 0.00 176.83 176.53 1owa h PHE 38 N 1.02 0.14 -0.43 4.77 -1.00 -1.04 0.44 116.94 120.84 1owa h PHE 38 Ca 0.26 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.01 1owa h PHE 38 Cb 0.02 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1owa h PHE 38 CO 0.01 0.14 0.15 0.87 -1.61 0.00 0.00 178.31 177.86 1owa h LYS 39 N 0.10 0.62 -0.76 1.51 1.57 -1.21 -1.99 116.57 116.41 1owa h LYS 39 Ca 0.04 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1owa h LYS 39 Cb 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1owa h LYS 39 CO -0.01 0.53 0.50 0.93 -0.57 0.00 0.00 179.45 180.84 1owa h GLU 40 N 0.61 1.00 -0.59 3.15 5.08 0.11 0.44 114.58 124.38 1owa h GLU 40 Ca 0.15 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1owa h GLU 40 Cb 0.16 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1owa h GLU 40 CO -0.01 0.66 -0.03 0.00 -1.00 0.00 0.00 179.01 178.63 1owa h ARG 41 N 1.03 1.06 -0.54 2.33 -0.00 -0.34 -2.40 114.38 115.52 1owa h ARG 41 Ca 0.28 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.98 59.38 1owa h ARG 41 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.74 1owa h ARG 41 CO -0.06 1.05 0.22 0.28 0.00 0.00 0.00 179.97 181.46 1owa h VAL 42 N 0.95 1.22 -0.58 2.04 2.07 -0.79 -2.13 116.25 119.03 1owa h VAL 42 Ca 0.16 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1owa h VAL 42 Cb 0.59 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1owa h VAL 42 CO 0.04 0.26 0.38 0.00 0.02 0.00 0.00 177.57 178.27 1owa h ALA 43 N 1.07 0.74 -0.57 1.67 0.00 -0.80 -2.09 119.26 119.28 1owa h ALA 43 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1owa h ALA 43 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1owa h ALA 43 CO -0.02 0.17 0.38 1.49 0.00 0.00 0.00 179.25 181.27 1owa h GLU 44 N 0.79 0.75 -1.00 0.00 4.81 -1.19 -2.52 114.58 116.21 1owa h GLU 44 Ca 0.21 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1owa h GLU 44 Cb -0.09 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.07 1owa h GLU 44 CO -0.05 0.50 0.66 0.00 -0.73 0.00 0.00 179.01 179.39 1owa h ARG 45 N 0.77 1.32 -4.72 1.92 3.08 -1.03 -3.37 114.38 112.35 1owa h ARG 45 Ca 0.21 -0.08 -0.68 0.00 0.07 0.00 0.00 59.98 59.50 1owa h ARG 45 Cb -0.09 -0.30 -0.36 0.00 0.08 0.00 0.00 29.97 29.30 1owa h ARG 45 CO -0.04 0.88 -0.70 0.20 -1.07 0.00 0.00 179.97 179.23 1owa s GLY 46 N -3.13 1.82 -0.21 0.04 0.00 -0.82 -5.08 107.32 99.95 1owa s GLY 46 Ca -0.13 -2.12 -0.29 0.00 0.00 0.00 0.00 44.72 42.18 1owa s GLY 46 CO 0.82 0.80 1.03 1.20 0.00 0.00 0.00 173.10 176.95 1owa s GLN 47 N 1.10 4.29 -0.30 2.90 -0.21 -1.24 -4.68 119.66 121.52 1owa s GLN 47 Ca 0.01 1.35 -0.25 0.00 0.02 0.00 0.00 55.36 56.49 1owa s GLN 47 Cb -0.20 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1owa s GLN 47 CO -0.05 -0.56 0.86 0.15 -2.12 0.00 0.00 175.29 173.58 1owa s LYS 48 N 2.95 4.01 0.09 2.91 1.02 -1.26 -4.94 119.74 124.52 1owa s LYS 48 Ca 0.45 0.74 -0.15 0.00 0.02 0.00 0.00 55.97 57.03 1owa s LYS 48 Cb -0.16 -3.72 -0.11 0.00 -0.52 0.00 0.00 37.83 33.32 1owa s LYS 48 CO 0.08 -0.72 1.37 1.25 -0.92 0.00 0.00 175.35 176.42 1owa h LEU 49 N 9.58 0.75 -6.00 3.17 5.85 -2.03 -3.45 115.31 123.18 1owa h LEU 49 Ca -0.23 -0.52 0.28 0.00 0.84 0.00 0.00 57.88 58.25 1owa h LEU 49 Cb 1.09 -0.21 -0.20 0.00 0.37 0.00 0.00 40.66 41.70 1owa h LEU 49 CO 0.92 1.12 0.21 -1.83 -0.34 0.00 0.00 178.44 178.53 1owa s GLU 50 N -4.17 0.03 -0.07 1.25 -1.05 -1.26 -5.14 118.70 108.30 1owa s GLU 50 Ca -0.12 0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.45 1owa s GLU 50 Cb 0.08 0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 1owa s GLU 50 CO 0.84 -0.05 0.99 -0.51 0.95 0.00 0.00 175.26 177.48 1owa s ASP 51 N 2.99 7.28 0.10 0.83 1.01 -1.26 -5.00 116.67 122.62 1owa s ASP 51 Ca 0.06 1.56 -0.31 0.00 0.71 0.00 0.00 52.55 54.57 1owa s ASP 51 Cb -0.05 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 1owa s ASP 51 CO -0.13 -0.38 1.35 -0.55 0.21 0.00 0.00 175.17 175.68 1owa s SER 52 N 1.06 6.87 0.48 0.27 0.15 -1.26 -4.89 113.70 116.39 1owa s SER 52 Ca 0.49 2.26 0.32 0.00 0.70 0.00 0.00 55.95 59.73 1owa s SER 52 Cb -0.19 -2.58 1.54 0.00 -1.71 0.00 0.00 66.02 63.08 1owa s SER 52 CO 0.21 -0.62 1.97 0.10 1.20 0.00 0.00 173.24 176.11 1owa h TYR 53 N 6.81 0.00 -0.79 3.44 -0.00 -2.01 -3.01 116.97 121.42 1owa h TYR 53 Ca -0.42 0.00 0.10 0.00 -0.00 0.00 0.00 58.73 58.41 1owa h TYR 53 Cb 1.21 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.89 1owa h TYR 53 CO 0.66 0.00 0.52 0.45 -0.00 0.00 0.00 178.16 179.79 1owa h HIS 54 N 0.00 0.77 -0.50 0.10 3.86 -1.97 0.57 115.15 117.98 1owa h HIS 54 Ca 0.00 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1owa h HIS 54 Cb 0.25 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1owa h HIS 54 CO 0.00 0.36 0.33 1.25 0.86 0.00 0.00 177.93 180.73 1owa h LEU 55 N 0.72 0.56 -0.80 2.43 7.12 -1.94 1.12 115.31 124.54 1owa h LEU 55 Ca 0.36 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 58.25 1owa h LEU 55 Cb 0.45 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1owa h LEU 55 CO -0.14 0.41 -0.34 1.56 -0.13 0.00 0.00 178.44 179.79 1owa h GLN 56 N 0.67 0.50 -0.77 1.25 4.20 -1.37 -0.86 115.11 118.74 1owa h GLN 56 Ca 0.19 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1owa h GLN 56 Cb -0.06 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1owa h GLN 56 CO -0.05 0.78 0.46 0.28 -0.67 0.00 0.00 178.83 179.64 1owa h VAL 57 N 0.43 1.22 -1.01 -0.54 2.07 0.19 1.11 116.25 119.71 1owa h VAL 57 Ca 0.05 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1owa h VAL 57 Cb 0.80 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1owa h VAL 57 CO 0.07 0.23 0.67 0.15 0.02 0.00 0.00 177.57 178.70 1owa h PHE 58 N 1.05 1.27 -0.71 1.57 3.04 0.17 0.47 116.94 123.80 1owa h PHE 58 Ca 0.28 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.18 1owa h PHE 58 Cb -0.04 -0.43 -0.03 0.00 2.56 0.00 0.00 35.95 38.02 1owa h PHE 58 CO -0.01 0.80 0.16 0.87 -2.02 0.00 0.00 178.31 178.11 1owa h LYS 59 N 1.36 1.15 -0.77 1.11 1.79 0.74 -2.49 116.57 119.47 1owa h LYS 59 Ca 0.37 -0.28 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1owa h LYS 59 Cb -0.16 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.31 1owa h LYS 59 CO -0.08 1.01 0.26 0.00 -1.08 0.00 0.00 179.45 179.57 1owa h ARG 60 N 1.08 1.18 -1.01 3.15 3.08 0.32 -2.67 114.38 119.52 1owa h ARG 60 Ca 0.22 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1owa h ARG 60 Cb 0.39 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1owa h ARG 60 CO 0.00 0.98 0.67 -0.44 -1.07 0.00 0.00 179.97 180.12 1owa h ASP 61 N 1.14 1.16 -0.95 7.04 3.32 0.24 0.44 116.42 128.81 1owa h ASP 61 Ca 0.25 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1owa h ASP 61 Cb 0.28 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1owa h ASP 61 CO -0.01 0.84 0.63 0.00 -1.72 0.00 0.00 179.24 178.97 1owa h ALA 62 N 1.37 1.20 -0.10 3.45 0.00 -1.11 1.61 119.26 125.69 1owa h ALA 62 Ca 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1owa h ALA 62 Cb -0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.25 1owa h ALA 62 CO -0.08 0.59 -0.11 -0.44 0.00 0.00 0.00 179.25 179.21 1owa h ASP 63 N 1.28 0.27 -0.59 0.00 3.32 -1.25 -1.70 116.42 117.74 1owa h ASP 63 Ca 0.35 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1owa h ASP 63 Cb -0.14 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1owa h ASP 63 CO -0.08 0.71 0.36 0.44 -1.72 0.00 0.00 179.24 178.95 1owa h ASP 64 N -0.17 0.71 -0.10 6.45 3.32 -0.57 0.75 116.42 126.81 1owa h ASP 64 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1owa h ASP 64 Cb 0.64 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1owa h ASP 64 CO 0.03 0.54 0.06 0.25 -1.72 0.00 0.00 179.24 178.40 1owa h LEU 65 N 0.82 0.11 -0.80 1.55 7.12 0.26 0.83 115.31 125.19 1owa h LEU 65 Ca 0.22 -0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.11 1owa h LEU 65 Cb -0.04 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 1owa h LEU 65 CO -0.04 0.08 -0.38 1.23 -0.13 0.00 0.00 178.44 179.20 1owa h GLY 66 N 0.13 0.49 1.01 3.75 0.00 -0.64 -2.87 103.07 104.93 1owa h GLY 66 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1owa h GLY 66 CO -0.01 0.42 0.49 1.70 0.00 0.00 0.00 176.54 179.14 1owa h LYS 67 N 0.38 1.02 -1.01 4.80 3.64 0.17 -2.32 116.57 123.25 1owa h LYS 67 Ca 0.04 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1owa h LYS 67 Cb 0.84 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1owa h LYS 67 CO 0.07 0.69 0.67 2.35 -2.27 0.00 0.00 179.45 180.95 1owa h TRP 68 N 1.04 1.27 -0.64 1.91 7.01 0.84 -2.23 115.95 125.15 1owa h TRP 68 Ca 0.28 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.24 1owa h TRP 68 Cb -0.09 -0.43 -0.03 0.00 -2.10 0.00 0.00 29.16 26.51 1owa h TRP 68 CO -0.02 0.80 0.13 0.82 -2.79 0.00 0.00 178.44 177.39 1owa h ILE 69 N 1.36 1.26 -0.58 2.65 2.04 -1.32 -2.17 117.51 120.75 1owa h ILE 69 Ca 0.37 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1owa h ILE 69 Cb -0.16 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1owa h ILE 69 CO -0.08 0.37 0.33 0.24 0.00 0.00 0.00 178.15 179.01 1owa h MET 70 N 0.96 0.79 -0.04 2.37 2.86 -0.93 0.25 114.93 121.18 1owa h MET 70 Ca 0.20 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1owa h MET 70 Cb 0.39 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1owa h MET 70 CO 0.01 0.57 -0.02 0.93 1.06 0.00 0.00 176.91 179.45 1owa h GLU 71 N 0.80 0.09 -0.90 1.72 5.08 -1.12 0.22 114.58 120.47 1owa h GLU 71 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1owa h GLU 71 Cb -0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1owa h GLU 71 CO -0.04 0.50 0.48 0.87 -1.00 0.00 0.00 179.01 179.82 1owa h LYS 72 N -0.33 1.26 -0.37 2.33 1.79 -1.11 -1.08 116.57 119.06 1owa h LYS 72 Ca 0.01 -0.15 -0.17 0.00 -2.18 0.00 0.00 60.65 58.16 1owa h LYS 72 Cb 0.48 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1owa h LYS 72 CO 0.01 0.93 -0.42 -0.24 -1.08 0.00 0.00 179.45 178.64 1owa h VAL 73 N 1.26 1.27 -0.47 0.50 3.04 -0.43 -1.90 116.25 119.52 1owa h VAL 73 Ca 0.31 -1.60 -0.03 0.00 -1.01 0.00 0.00 66.70 64.37 1owa h VAL 73 Cb 0.05 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1owa h VAL 73 CO -0.05 0.53 0.16 0.78 -1.01 0.00 0.00 177.57 177.98 1owa h ASN 74 N 0.75 0.67 -0.48 3.17 2.35 -0.23 0.26 115.58 122.09 1owa h ASN 74 Ca 0.05 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1owa h ASN 74 Cb 1.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 1owa h ASN 74 CO 0.10 0.69 0.09 -0.29 -1.65 0.00 0.00 177.43 176.38 1owa h ILE 75 N 0.62 1.23 -0.72 2.81 2.10 -1.23 1.24 117.51 123.57 1owa h ILE 75 Ca 0.15 -0.88 -0.01 0.00 1.08 0.00 0.00 64.86 65.20 1owa h ILE 75 Cb 0.25 0.72 -0.03 0.00 -1.09 0.00 0.00 36.82 36.67 1owa h ILE 75 CO -0.01 0.32 0.43 -0.07 -1.08 0.00 0.00 178.15 177.75 1owa h LEU 76 N 0.80 0.86 -0.84 2.19 3.38 -0.48 0.76 115.31 121.99 1owa h LEU 76 Ca 0.17 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1owa h LEU 76 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1owa h LEU 76 CO 0.01 0.68 -0.37 0.74 0.09 0.00 0.00 178.44 179.58 1owa h THR 77 N 0.98 1.30 -0.78 0.22 2.02 0.36 -3.04 112.91 113.97 1owa h THR 77 Ca 0.26 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.96 1owa h THR 77 Cb -0.02 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1owa h THR 77 CO -0.05 0.46 0.51 -0.78 0.37 0.00 0.00 175.52 176.03 1owa h ASP 78 N 0.35 0.89 0.00 4.18 1.82 0.37 0.84 116.42 124.88 1owa h ASP 78 Ca 0.04 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1owa h ASP 78 Cb 0.82 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 1owa h ASP 78 CO 0.07 0.65 -0.00 0.07 -1.61 0.00 0.00 179.24 178.42 1owa h LYS 79 N 1.05 0.00 -0.40 0.28 2.10 -0.86 -1.35 116.57 117.39 1owa h LYS 79 Ca 0.28 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.90 1owa h LYS 79 Cb -0.12 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.20 1owa h LYS 79 CO -0.06 0.00 0.13 1.03 -2.00 0.00 0.00 179.45 178.55 1owa h SER 80 N 0.00 0.58 -1.01 7.07 0.87 -0.86 -3.02 113.55 117.18 1owa h SER 80 Ca -0.00 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1owa h SER 80 Cb 0.00 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 1owa h SER 80 CO 0.00 0.62 0.67 1.88 -0.53 0.00 0.00 176.83 179.47 1owa h TYR 81 N 0.50 1.26 -2.63 2.24 0.05 -1.07 -3.42 116.97 113.90 1owa h TYR 81 Ca 0.13 0.03 -0.53 0.00 0.05 0.00 0.00 58.73 58.41 1owa h TYR 81 Cb 0.25 -0.43 0.02 0.00 1.01 0.00 0.00 36.73 37.58 1owa h TYR 81 CO 0.01 0.79 1.04 -2.00 -1.05 0.00 0.00 178.16 176.96 1owa s GLU 82 N -6.11 4.18 0.08 4.88 2.56 -1.14 -4.92 118.70 118.22 1owa s GLU 82 Ca -0.13 2.37 -0.29 0.00 0.00 0.00 0.00 54.97 56.93 1owa s GLU 82 Cb 0.18 -3.69 -0.17 0.00 2.00 0.00 0.00 34.13 32.44 1owa s GLU 82 CO 0.82 -0.78 1.67 -0.44 -0.56 0.00 0.00 175.26 175.97 1owa h ASP 83 N 8.70 -0.44 -2.88 -1.70 3.32 -1.86 -3.44 116.42 118.12 1owa h ASP 83 Ca -0.43 0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.08 1owa h ASP 83 Cb 1.20 0.12 0.20 0.00 0.22 0.00 0.00 39.33 41.07 1owa h ASP 83 CO 0.94 -0.32 -0.83 -2.65 -1.72 0.00 0.00 179.24 174.66 1owa n PRO 84 N -5.32 0.05 -1.74 3.56 -0.02 -1.26 -5.00 135.00 125.28 1owa n PRO 84 Ca -0.11 0.05 -0.24 0.00 -2.02 0.00 0.00 63.50 61.19 1owa n PRO 84 Cb 0.23 -1.57 0.16 0.00 -0.02 0.00 0.00 33.50 32.29 1owa n PRO 84 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1owa n THR 85 N -2.62 0.00 -2.49 3.45 -2.24 -1.26 -5.03 114.28 104.09 1owa n THR 85 Ca 0.06 -0.93 -0.39 0.00 -2.27 0.00 0.00 64.05 60.53 1owa n THR 85 Cb 0.52 -1.46 -0.04 0.00 -2.10 0.00 0.00 70.33 67.25 1owa n THR 85 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1owa s ASN 86 N -4.94 7.05 0.00 3.42 2.47 -1.26 -4.94 114.94 116.74 1owa s ASN 86 Ca 0.62 2.20 0.00 0.00 0.42 0.00 0.00 52.86 56.10 1owa s ASN 86 Cb -0.02 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1owa s ASN 86 CO 0.43 -0.29 0.00 2.30 -3.72 0.00 0.00 177.10 175.82 1owa n ILE 87 N 0.71 0.00 -0.38 -5.21 -0.00 -1.26 -5.00 119.36 108.23 1owa n ILE 87 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.74 1owa n ILE 87 Cb 0.46 0.00 0.11 0.00 -0.00 0.00 0.00 39.64 40.22 1owa n ILE 87 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1owa h GLN 88 N 0.00 1.32 0.12 6.28 4.20 -1.98 0.16 115.11 125.21 1owa h GLN 88 Ca 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1owa h GLN 88 Cb 0.00 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 27.48 1owa h GLN 88 CO 0.00 0.88 -0.06 0.78 -0.67 0.00 0.00 178.83 179.76 1owa h GLY 89 N 1.36 -0.16 1.03 3.46 0.00 -1.98 -1.86 103.07 104.92 1owa h GLY 89 Ca 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1owa h GLY 89 CO -0.08 -0.06 0.45 0.50 0.00 0.00 0.00 176.54 177.36 1owa h LYS 90 N -0.64 1.20 -0.88 4.80 1.57 -1.90 -2.43 116.57 118.29 1owa h LYS 90 Ca -0.02 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1owa h LYS 90 Cb 0.50 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1owa h LYS 90 CO 0.03 0.89 0.58 -0.92 -0.57 0.00 0.00 179.45 179.46 1owa h TYR 91 N 1.20 1.11 -0.96 -1.35 5.03 -0.69 -2.40 116.97 118.91 1owa h TYR 91 Ca 0.30 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.63 1owa h TYR 91 Cb 0.05 -0.37 -0.05 0.00 1.55 0.00 0.00 36.73 37.91 1owa h TYR 91 CO 0.01 0.70 0.60 1.96 -1.32 0.00 0.00 178.16 180.11 1owa h GLN 92 N 1.19 1.28 -0.39 1.82 4.20 -0.85 0.11 115.11 122.47 1owa h GLN 92 Ca 0.32 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.94 1owa h GLN 92 Cb -0.13 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.35 1owa h GLN 92 CO -0.07 0.88 0.26 0.87 -0.67 0.00 0.00 178.83 180.10 1owa h LYS 93 N 1.31 0.51 -0.54 1.46 1.57 -1.17 -0.92 116.57 118.79 1owa h LYS 93 Ca 0.35 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 1owa h LYS 93 Cb -0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1owa h LYS 93 CO -0.07 0.34 -0.08 0.45 -0.57 0.00 0.00 179.45 179.52 1owa h HIS 94 N 0.53 1.12 -0.72 -1.35 3.86 -1.19 -2.83 115.15 114.56 1owa h HIS 94 Ca 0.15 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1owa h HIS 94 Cb -0.05 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.10 1owa h HIS 94 CO -0.05 1.03 0.48 0.37 0.86 0.00 0.00 177.93 180.62 1owa h GLN 95 N 0.88 0.95 -0.61 2.45 4.15 -0.59 0.88 115.11 123.21 1owa h GLN 95 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1owa h GLN 95 Cb 0.64 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1owa h GLN 95 CO 0.04 0.63 0.34 1.03 -1.93 0.00 0.00 178.83 178.94 1owa h SER 96 N 0.97 0.75 0.74 -0.69 0.87 -1.10 0.13 113.55 115.23 1owa h SER 96 Ca 0.26 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1owa h SER 96 Cb -0.11 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.65 1owa h SER 96 CO -0.06 0.63 0.00 -0.07 -0.53 0.00 0.00 176.83 176.80 1owa h LEU 97 N 0.82 0.00 -0.46 2.23 4.07 -1.19 -2.16 115.31 118.63 1owa h LEU 97 Ca 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1owa h LEU 97 Cb 0.03 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1owa h LEU 97 CO -0.04 0.00 0.11 -0.33 -1.08 0.00 0.00 178.44 177.11 1owa h GLU 98 N 0.00 0.73 -0.40 1.13 5.08 0.18 0.37 114.58 121.66 1owa h GLU 98 Ca 0.00 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1owa h GLU 98 Cb 0.37 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1owa h GLU 98 CO 0.00 0.73 -0.13 0.00 -1.00 0.00 0.00 179.01 178.61 1owa h ALA 99 N 0.97 1.03 -0.81 3.43 0.00 -1.13 -2.38 119.26 120.37 1owa h ALA 99 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1owa h ALA 99 Cb 0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1owa h ALA 99 CO 0.00 0.59 0.42 0.93 0.00 0.00 0.00 179.25 181.19 1owa h GLU 100 N 0.66 1.13 -0.00 0.00 4.39 -0.78 0.96 114.58 120.93 1owa h GLU 100 Ca 0.11 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1owa h GLU 100 Cb 0.59 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1owa h GLU 100 CO 0.04 0.84 0.00 0.28 -1.16 0.00 0.00 179.01 179.01 1owa h VAL 101 N 1.14 1.00 -0.72 3.13 2.07 0.19 0.71 116.25 123.76 1owa h VAL 101 Ca 0.28 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 1owa h VAL 101 Cb 0.05 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1owa h VAL 101 CO -0.04 0.00 0.19 1.56 0.02 0.00 0.00 177.57 179.30 1owa h GLN 102 N 0.00 1.14 -0.16 1.57 1.08 -1.02 -1.79 115.11 115.92 1owa h GLN 102 Ca 0.00 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1owa h GLN 102 Cb 0.00 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1owa h GLN 102 CO -0.00 0.99 0.11 1.15 -0.95 0.00 0.00 178.83 180.12 1owa h THR 103 N 1.08 1.05 -0.97 -0.54 2.02 0.18 -2.19 112.91 113.54 1owa h THR 103 Ca 0.23 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1owa h THR 103 Cb 0.35 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1owa h THR 103 CO -0.00 0.05 0.62 0.50 0.37 0.00 0.00 175.52 177.06 1owa h LYS 104 N 0.21 1.30 -0.87 6.66 1.63 0.59 -1.76 116.57 124.33 1owa h LYS 104 Ca 0.06 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1owa h LYS 104 Cb -0.01 -0.28 -0.05 0.00 -0.60 0.00 0.00 32.23 31.28 1owa h LYS 104 CO -0.01 0.88 0.57 0.77 -3.45 0.00 0.00 179.45 178.20 1owa h SER 105 N 1.33 0.87 -0.26 4.20 0.02 -0.89 0.16 113.55 118.98 1owa h SER 105 Ca 0.35 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.27 1owa h SER 105 Cb -0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1owa h SER 105 CO -0.07 0.57 0.05 0.03 -1.14 0.00 0.00 176.83 176.27 1owa h ARG 106 N 0.99 0.53 -0.13 3.45 3.08 -0.72 0.51 114.38 122.08 1owa h ARG 106 Ca 0.37 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1owa h ARG 106 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1owa h ARG 106 CO -0.13 0.52 0.09 1.25 -1.07 0.00 0.00 179.97 180.62 1owa h LEU 107 N 0.51 0.14 -0.59 3.04 6.46 -0.39 1.00 115.31 125.50 1owa h LEU 107 Ca 0.12 -0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.75 1owa h LEU 107 Cb 0.25 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1owa h LEU 107 CO 0.00 0.10 -0.17 0.24 -0.62 0.00 0.00 178.44 177.99 1owa h MET 108 N 0.17 0.95 -0.04 1.25 2.86 0.78 1.94 114.93 122.85 1owa h MET 108 Ca 0.05 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1owa h MET 108 Cb -0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1owa h MET 108 CO -0.01 1.04 0.02 0.77 1.06 0.00 0.00 176.91 179.78 1owa h SER 109 N 0.83 0.05 -0.51 1.22 0.02 0.20 0.42 113.55 115.78 1owa h SER 109 Ca 0.12 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1owa h SER 109 Cb 0.73 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1owa h SER 109 CO 0.06 0.17 0.10 -0.33 -1.14 0.00 0.00 176.83 175.68 1owa h GLU 110 N -0.07 0.89 -0.89 3.45 5.08 0.81 -1.47 114.58 122.37 1owa h GLU 110 Ca 0.01 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1owa h GLU 110 Cb 0.13 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1owa h GLU 110 CO -0.00 0.83 0.59 1.25 -1.00 0.00 0.00 179.01 180.67 1owa h LEU 111 N 0.85 1.02 -0.05 1.33 5.85 0.37 1.26 115.31 125.94 1owa h LEU 111 Ca 0.18 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1owa h LEU 111 Cb 0.37 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1owa h LEU 111 CO 0.01 0.74 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.44 1owa h GLU 112 N 1.21 0.13 -0.83 1.25 5.08 -0.65 -3.06 114.58 117.70 1owa h GLU 112 Ca 0.33 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1owa h GLU 112 Cb -0.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1owa h GLU 112 CO -0.07 0.63 0.55 0.87 -1.00 0.00 0.00 179.01 179.99 1owa h LYS 113 N -0.37 1.08 -0.94 2.33 1.57 -0.99 -2.54 116.57 116.72 1owa h LYS 113 Ca 0.00 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1owa h LYS 113 Cb 0.62 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1owa h LYS 113 CO 0.02 0.72 0.63 0.00 -0.57 0.00 0.00 179.45 180.24 1owa h THR 114 N 1.12 1.24 -0.36 -0.16 1.03 0.16 0.98 112.91 116.92 1owa h THR 114 Ca 0.31 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1owa h THR 114 Cb -0.12 -0.15 -0.02 0.00 -1.07 0.00 0.00 68.15 66.79 1owa h THR 114 CO -0.07 0.23 0.24 0.03 -0.01 0.00 0.00 175.52 175.94 1owa h ARG 115 N 1.28 0.48 -0.10 0.00 3.08 -1.36 -0.55 114.38 117.21 1owa h ARG 115 Ca 0.35 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 1owa h ARG 115 Cb -0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1owa h ARG 115 CO -0.07 0.32 -0.31 0.93 -1.07 0.00 0.00 179.97 179.77 1owa h GLU 116 N 0.49 0.18 -1.01 0.04 5.08 -1.23 -2.75 114.58 115.39 1owa h GLU 116 Ca 0.13 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1owa h GLU 116 Cb -0.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1owa h GLU 116 CO -0.03 0.48 0.67 1.49 -1.00 0.00 0.00 179.01 180.62 1owa h GLU 117 N 0.16 1.32 0.00 2.33 4.81 0.25 -3.43 114.58 120.03 1owa h GLU 117 Ca 0.02 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1owa h GLU 117 Cb 0.64 -0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1owa h GLU 117 CO 0.05 0.87 0.00 0.54 -0.73 0.00 0.00 179.01 179.74 1owa n ARG 118 N -4.39 0.00 -3.17 1.92 5.12 -0.62 -5.04 116.66 110.48 1owa n ARG 118 Ca 0.12 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.65 1owa n ARG 118 Cb 0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.26 1owa n ARG 118 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1owa s PHE 119 N 1.55 3.64 0.00 -1.55 0.08 -1.13 -4.91 117.98 115.66 1owa s PHE 119 Ca 0.00 1.18 0.03 0.00 0.12 0.00 0.00 56.93 58.26 1owa s PHE 119 Cb 0.00 -2.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.84 1owa s PHE 119 CO 0.00 0.26 0.93 -2.37 -0.10 0.00 0.00 175.22 173.94 1owa n THR 120 N 3.10 0.00 0.10 0.64 5.66 -1.25 -4.33 114.28 118.20 1owa n THR 120 Ca -0.05 -0.11 -0.18 0.00 -3.05 0.00 0.00 64.05 60.66 1owa n THR 120 Cb 0.51 0.46 -0.14 0.00 -1.55 0.00 0.00 70.33 69.61 1owa n THR 120 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1owa h MET 121 N 0.11 0.31 -6.68 1.09 2.86 -1.93 -3.43 114.93 107.26 1owa h MET 121 Ca -0.41 -0.53 -0.56 0.00 -2.06 0.00 0.00 59.70 56.13 1owa h MET 121 Cb 1.39 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 33.18 1owa h MET 121 CO -0.19 1.23 0.95 0.20 1.06 0.00 0.00 176.91 180.16 1owa s GLY 122 N -4.74 1.27 0.17 8.32 0.00 -1.26 -4.89 107.32 106.19 1owa s GLY 122 Ca -0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 1owa s GLY 122 CO 0.89 2.46 1.60 1.12 0.00 0.00 0.00 173.10 179.17 1owa h HIS 123 N 9.40 1.17 -0.95 1.90 2.07 -2.02 -3.02 115.15 123.70 1owa h HIS 123 Ca -0.24 -0.24 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1owa h HIS 123 Cb 1.07 -0.29 -0.05 0.00 2.57 0.00 0.00 27.41 30.71 1owa h HIS 123 CO 0.97 1.07 0.57 0.66 -3.07 0.00 0.00 177.93 178.13 1owa h SER 124 N 0.93 1.14 -0.07 3.10 4.64 -2.00 -0.30 113.55 121.00 1owa h SER 124 Ca 0.14 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1owa h SER 124 Cb 0.67 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1owa h SER 124 CO 0.05 0.87 0.10 0.00 -0.87 0.00 0.00 176.83 176.98 1owa h ALA 125 N 1.31 1.52 -0.38 5.18 0.00 -1.94 0.30 119.26 125.25 1owa h ALA 125 Ca 0.34 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1owa h ALA 125 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1owa h ALA 125 CO -0.06 -0.13 -0.15 0.45 0.00 0.00 0.00 179.25 179.35 1owa h HIS 126 N 0.00 0.89 -0.64 0.00 3.86 -1.05 -2.95 115.15 115.26 1owa h HIS 126 Ca 0.03 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1owa h HIS 126 Cb 0.22 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1owa h HIS 126 CO 0.00 0.94 0.42 0.93 0.86 0.00 0.00 177.93 181.09 1owa h GLU 127 N 0.57 0.85 -0.58 2.45 5.08 -0.89 0.12 114.58 122.17 1owa h GLU 127 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1owa h GLU 127 Cb 0.69 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1owa h GLU 127 CO 0.05 0.56 0.32 1.05 -1.00 0.00 0.00 179.01 180.00 1owa h GLU 128 N 0.87 0.81 -0.38 2.33 4.11 -1.49 -1.77 114.58 119.06 1owa h GLU 128 Ca 0.23 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.43 1owa h GLU 128 Cb -0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1owa h GLU 128 CO -0.05 0.62 -0.32 1.15 0.07 0.00 0.00 179.01 180.48 1owa h THR 129 N 0.79 1.28 -1.01 -1.06 2.02 -1.31 -2.82 112.91 110.80 1owa h THR 129 Ca 0.21 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.91 1owa h THR 129 Cb 0.04 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1owa h THR 129 CO -0.03 0.50 0.66 0.11 0.37 0.00 0.00 175.52 177.13 1owa h LYS 130 N 0.70 1.33 -0.26 6.66 1.57 -0.54 -1.30 116.57 124.73 1owa h LYS 130 Ca 0.07 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1owa h LYS 130 Cb 0.90 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1owa h LYS 130 CO 0.08 0.88 -0.01 0.00 -0.57 0.00 0.00 179.45 179.83 1owa h ALA 131 N 1.37 0.35 -0.67 3.86 0.00 -1.28 -1.37 119.26 121.51 1owa h ALA 131 Ca 0.37 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1owa h ALA 131 Cb -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1owa h ALA 131 CO -0.08 0.09 0.44 1.25 0.00 0.00 0.00 179.25 180.96 1owa h HIS 132 N 0.23 0.84 -0.52 0.00 -0.00 -1.21 -2.11 115.15 112.38 1owa h HIS 132 Ca 0.07 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.34 1owa h HIS 132 Cb 0.43 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1owa h HIS 132 CO 0.04 0.53 -0.17 0.97 -0.00 0.00 0.00 177.93 179.30 1owa h ILE 133 N 0.91 1.27 -0.99 6.26 2.10 -1.20 -2.98 117.51 122.87 1owa h ILE 133 Ca 0.25 -1.33 0.01 0.00 1.08 0.00 0.00 64.86 64.86 1owa h ILE 133 Cb -0.10 1.04 -0.05 0.00 -1.09 0.00 0.00 36.82 36.62 1owa h ILE 133 CO -0.06 0.47 0.66 -0.33 -1.08 0.00 0.00 178.15 177.81 1owa h GLU 134 N 0.90 1.31 -0.96 2.19 5.08 -0.92 -2.03 114.58 120.15 1owa h GLU 134 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1owa h GLU 134 Cb 0.75 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1owa h GLU 134 CO 0.06 0.87 0.58 0.93 -1.00 0.00 0.00 179.01 180.45 1owa h GLU 135 N 1.35 1.29 -1.00 2.33 5.08 -1.28 -2.17 114.58 120.19 1owa h GLU 135 Ca 0.36 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1owa h GLU 135 Cb -0.16 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 28.77 1owa h GLU 135 CO -0.08 0.89 0.66 -0.07 -1.00 0.00 0.00 179.01 179.42 1owa h LEU 136 N 1.31 1.14 -0.91 1.33 3.38 -1.23 -2.27 115.31 118.06 1owa h LEU 136 Ca 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1owa h LEU 136 Cb -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 1owa h LEU 136 CO -0.07 0.82 0.50 0.03 0.09 0.00 0.00 178.44 179.81 1owa h ARG 137 N 1.34 1.27 -0.82 1.13 3.08 -1.00 -0.75 114.38 118.64 1owa h ARG 137 Ca 0.37 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1owa h ARG 137 Cb -0.14 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.62 1owa h ARG 137 CO -0.08 0.92 0.40 0.45 -1.07 0.00 0.00 179.97 180.59 1owa h HIS 138 N 1.27 1.17 -0.62 3.04 3.86 -1.20 -1.40 115.15 121.28 1owa h HIS 138 Ca 0.32 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 1owa h HIS 138 Cb 0.02 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 1owa h HIS 138 CO 0.01 0.85 0.02 -0.07 0.86 0.00 0.00 177.93 179.60 1owa h LEU 139 N 1.16 1.06 -0.95 2.43 3.38 -1.16 -2.86 115.31 118.37 1owa h LEU 139 Ca 0.28 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1owa h LEU 139 Cb 0.11 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1owa h LEU 139 CO -0.04 1.10 0.63 -0.25 0.09 0.00 0.00 178.44 179.97 1owa h TRP 140 N 1.00 1.21 -0.78 1.13 2.91 -0.54 -2.26 115.95 118.62 1owa h TRP 140 Ca 0.18 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.23 1owa h TRP 140 Cb 0.54 -0.41 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 1owa h TRP 140 CO 0.04 0.76 0.51 -0.44 -1.03 0.00 0.00 178.44 178.29 1owa h ASP 141 N 1.30 0.89 -0.03 2.65 3.32 -1.05 0.30 116.42 123.80 1owa h ASP 141 Ca 0.35 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1owa h ASP 141 Cb -0.14 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.18 1owa h ASP 141 CO -0.07 0.65 0.02 0.25 -1.72 0.00 0.00 179.24 178.37 1owa h LEU 142 N 1.05 0.04 -0.80 1.55 5.85 -1.31 0.37 115.31 122.07 1owa h LEU 142 Ca 0.28 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1owa h LEU 142 Cb -0.12 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1owa h LEU 142 CO -0.06 0.03 0.29 -0.07 -0.34 0.00 0.00 178.44 178.29 1owa h LEU 143 N 0.04 1.10 -0.18 2.25 4.07 -1.08 0.84 115.31 122.34 1owa h LEU 143 Ca 0.01 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1owa h LEU 143 Cb -0.00 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1owa h LEU 143 CO -0.00 0.99 0.11 0.25 -1.08 0.00 0.00 178.44 178.71 1owa h LEU 144 N 1.14 0.21 -1.10 1.67 6.46 -0.06 0.22 115.31 123.85 1owa h LEU 144 Ca 0.26 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1owa h LEU 144 Cb 0.25 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 1owa h LEU 144 CO -0.02 0.18 0.61 -0.08 -0.62 0.00 0.00 178.44 178.51 1owa h GLU 145 N 0.23 1.21 -0.96 1.25 4.81 0.28 -0.53 114.58 120.87 1owa h GLU 145 Ca 0.07 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1owa h GLU 145 Cb 0.00 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.06 1owa h GLU 145 CO -0.01 0.80 0.63 -0.07 -0.73 0.00 0.00 179.01 179.63 1owa h LEU 146 N 1.24 1.09 -0.16 1.64 3.38 0.23 1.06 115.31 123.80 1owa h LEU 146 Ca 0.34 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1owa h LEU 146 Cb -0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.33 1owa h LEU 146 CO -0.07 0.79 -0.05 0.74 0.09 0.00 0.00 178.44 179.93 1owa h THR 147 N 1.29 1.30 -0.36 0.22 2.02 0.26 -2.49 112.91 115.15 1owa h THR 147 Ca 0.35 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1owa h THR 147 Cb -0.14 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1owa h THR 147 CO -0.08 0.31 0.18 -0.07 0.37 0.00 0.00 175.52 176.23 1owa h LEU 148 N 0.01 0.44 -0.82 2.58 -0.00 -0.69 -2.02 115.31 114.80 1owa h LEU 148 Ca 0.04 -0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1owa h LEU 148 Cb 0.50 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 41.01 1owa h LEU 148 CO 0.02 0.37 0.54 -0.08 -0.00 0.00 0.00 178.44 179.29 1owa h GLU 149 N 0.50 1.08 -0.37 1.13 4.81 0.16 0.28 114.58 122.17 1owa h GLU 149 Ca 0.13 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1owa h GLU 149 Cb 0.04 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1owa h GLU 149 CO -0.02 0.72 -0.10 0.87 -0.73 0.00 0.00 179.01 179.75 1owa h LYS 150 N 1.11 0.72 -0.87 1.92 1.79 -0.97 -2.35 116.57 117.92 1owa h LYS 150 Ca 0.30 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1owa h LYS 150 Cb -0.13 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.44 1owa h LYS 150 CO -0.07 0.87 0.52 0.78 -1.08 0.00 0.00 179.45 180.48 1owa h GLY 151 N 0.52 1.26 1.00 3.86 0.00 -0.88 0.43 103.07 109.26 1owa h GLY 151 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1owa h GLY 151 CO 0.04 0.50 0.01 -1.80 0.00 0.00 0.00 176.54 175.29 1owa h ASP 152 N 1.20 0.02 0.97 0.19 1.82 -0.22 -0.70 116.42 119.70 1owa h ASP 152 Ca 0.31 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.94 1owa h ASP 152 Cb -0.05 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 1owa h ASP 152 CO -0.06 0.02 -0.03 0.06 -1.61 0.00 0.00 179.24 177.62 1owa h GLN 153 N 0.02 0.00 0.00 0.28 3.07 -1.02 -2.46 115.11 115.00 1owa h GLN 153 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1owa h GLN 153 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1owa h GLN 153 CO -0.00 0.03 -0.26 1.25 0.09 0.00 0.00 178.83 179.94 1owa h LEU 154 N 0.00 0.00 -9.66 0.06 5.85 0.14 -3.43 115.31 108.27 1owa h LEU 154 Ca -0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1owa h LEU 154 Cb 0.53 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.58 1owa h LEU 154 CO 0.00 0.26 0.65 -0.76 -0.34 0.00 0.00 178.44 178.25 1owa s LEU 155 N -7.23 4.41 0.00 2.25 1.43 -0.85 -5.06 118.68 113.63 1owa s LEU 155 Ca -0.01 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1owa s LEU 155 Cb 0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1owa s LEU 155 CO 0.65 -0.52 0.00 0.54 0.23 0.00 0.00 176.35 177.25