#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr1 h GLU 2 N 0.00 0.00 0.00 1.43 4.57 -2.04 -0.35 114.58 118.19 1lr1 h GLU 2 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1lr1 h GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1lr1 h GLU 2 CO 0.00 0.59 -0.69 0.00 -1.18 0.00 0.00 179.01 177.73 1lr1 h ALA 3 N 1.41 0.68 0.10 2.92 0.00 -2.00 0.14 119.26 122.51 1lr1 h ALA 3 Ca -0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 54.91 54.11 1lr1 h ALA 3 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1lr1 h ALA 3 CO 0.08 0.63 -1.49 -0.07 0.00 0.00 0.00 179.25 178.40 1lr1 h LEU 4 N 0.00 0.32 0.00 0.00 -0.00 -1.97 -3.34 115.31 110.32 1lr1 h LEU 4 Ca -0.04 -0.44 -0.23 0.00 -0.00 0.00 0.00 57.88 57.17 1lr1 h LEU 4 Cb 1.39 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 41.91 1lr1 h LEU 4 CO 0.06 1.37 -1.29 0.50 -0.00 0.00 0.00 178.44 179.07 1lr1 h LYS 5 N 0.06 0.00 -0.57 1.13 1.63 -1.11 0.16 116.57 117.87 1lr1 h LYS 5 Ca -0.22 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.66 1lr1 h LYS 5 Cb 1.99 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.56 1lr1 h LYS 5 CO 0.15 0.70 0.23 0.97 -3.45 0.00 0.00 179.45 178.05 1lr1 h ILE 6 N 0.00 0.83 -0.00 2.00 2.10 -0.84 -2.40 117.51 119.20 1lr1 h ILE 6 Ca -0.14 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1lr1 h ILE 6 Cb 1.83 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1lr1 h ILE 6 CO 0.10 0.08 -0.64 0.00 -1.08 0.00 0.00 178.15 176.60 1lr1 n LEU 7 N -4.96 1.00 -2.60 2.19 -0.00 -1.25 -4.88 117.00 106.50 1lr1 n LEU 7 Ca 0.07 -0.57 -0.19 0.00 -0.00 0.00 0.00 56.01 55.32 1lr1 n LEU 7 Cb 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.68 1lr1 n LEU 7 CO 0.24 0.22 0.03 0.59 -0.00 0.00 0.00 177.39 178.47 1lr1 n ASN 8 N -1.03 -5.40 -1.87 1.45 3.02 0.15 -4.57 115.26 107.02 1lr1 n ASN 8 Ca 0.04 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1lr1 n ASN 8 Cb 0.28 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1lr1 n ASN 9 N -1.84 -9.17 -0.16 6.41 5.03 0.34 -4.01 115.26 111.87 1lr1 n ASN 9 Ca -0.08 1.32 0.28 0.00 0.87 0.00 0.00 54.58 56.96 1lr1 n ASN 9 Cb 0.59 -4.91 0.72 0.00 -1.02 0.00 0.00 39.78 35.16 1lr1 n ASN 9 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 1lr1 h ILE 10 N 3.25 0.56 0.36 2.41 -2.65 -1.91 -1.77 117.51 117.76 1lr1 h ILE 10 Ca 0.00 0.00 -0.02 0.00 1.03 0.00 0.00 64.86 65.87 1lr1 h ILE 10 Cb 0.00 0.57 0.00 0.00 -2.05 0.00 0.00 36.82 35.34 1lr1 h ILE 10 CO 0.00 0.00 -0.18 0.08 0.03 0.00 0.00 178.15 178.08 1lr1 h ARG 11 N 0.00 -0.48 -0.18 0.16 0.11 -1.95 -0.78 114.38 111.26 1lr1 h ARG 11 Ca 0.40 0.03 -0.10 0.00 0.10 0.00 0.00 59.98 60.41 1lr1 h ARG 11 Cb 1.64 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.81 1lr1 h ARG 11 CO -0.00 -0.32 -0.33 1.15 0.10 0.00 0.00 179.97 180.56 1lr1 h THR 12 N -0.50 1.28 0.88 0.08 2.02 -1.48 -3.28 112.91 111.91 1lr1 h THR 12 Ca -0.05 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.71 1lr1 h THR 12 Cb 0.39 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1lr1 h THR 12 CO 0.07 0.43 -0.42 0.25 0.37 0.00 0.00 175.52 176.22 1lr1 h LEU 13 N 0.33 -1.00 -1.89 2.58 5.85 -1.15 -1.96 115.31 118.06 1lr1 h LEU 13 Ca 0.04 0.03 0.44 0.00 0.84 0.00 0.00 57.88 59.24 1lr1 h LEU 13 Cb 0.74 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1lr1 h LEU 13 CO 0.06 -0.66 1.16 0.03 -0.34 0.00 0.00 178.44 178.69 1lr1 h ARG 14 N -1.28 0.00 0.00 1.25 3.08 -1.20 0.69 114.38 116.92 1lr1 h ARG 14 Ca -0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1lr1 h ARG 14 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1lr1 h ARG 14 CO 0.20 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.92 1lr1 h ALA 15 N 1.11 0.03 -0.14 0.04 0.00 -1.59 0.75 119.26 119.46 1lr1 h ALA 15 Ca 0.73 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1lr1 h ALA 15 Cb 3.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.92 1lr1 h ALA 15 CO -0.01 0.10 -0.31 -0.56 0.00 0.00 0.00 179.25 178.47 1lr1 h GLN 16 N -0.98 0.27 0.00 0.00 3.07 0.13 -2.37 115.11 115.23 1lr1 h GLN 16 Ca -0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.59 1lr1 h GLN 16 Cb 1.05 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.60 1lr1 h GLN 16 CO -0.02 0.56 -0.63 0.00 0.09 0.00 0.00 178.83 178.82 1lr1 h ALA 17 N 1.45 0.68 -1.29 0.06 0.00 0.09 -3.34 119.26 116.91 1lr1 h ALA 17 Ca 0.03 -0.00 0.37 0.00 0.00 0.00 0.00 54.91 55.31 1lr1 h ALA 17 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1lr1 h ALA 17 CO 0.05 0.00 1.09 -0.09 0.00 0.00 0.00 179.25 180.30 1lr1 h ARG 18 N 0.00 0.00 -0.94 0.00 2.43 -0.28 0.90 114.38 116.49 1lr1 h ARG 18 Ca -0.00 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.54 1lr1 h ARG 18 Cb 1.00 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.20 1lr1 h ARG 18 CO 0.00 0.00 0.18 -0.85 -1.51 0.00 0.00 179.97 177.79 1lr1 n GLU 19 N -3.76 3.08 -1.00 0.20 0.28 -1.25 -5.00 120.64 113.19 1lr1 n GLU 19 Ca 0.28 -3.67 0.00 0.00 -0.16 0.00 0.00 57.16 53.61 1lr1 n GLU 19 Cb 1.49 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 32.08 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1lr1 n SER 20 N -0.81 0.00 -4.93 -1.84 7.64 0.31 -5.15 113.62 108.84 1lr1 n SER 20 Ca 0.55 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 59.35 1lr1 n SER 20 Cb 0.77 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 1lr1 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1lr1 s THR 21 N -2.79 5.05 -0.28 0.44 2.01 -1.26 -4.95 115.64 113.87 1lr1 s THR 21 Ca 0.00 -0.22 0.16 0.00 0.31 0.00 0.00 61.69 61.94 1lr1 s THR 21 Cb 0.00 -3.83 0.16 0.00 0.01 0.00 0.00 72.50 68.84 1lr1 s THR 21 CO 0.00 -0.56 1.48 0.00 -0.69 0.00 0.00 174.62 174.85 1lr1 n LEU 22 N -1.67 0.43 -0.22 4.42 -0.00 -1.26 -2.62 117.00 116.08 1lr1 n LEU 22 Ca -0.03 0.67 0.28 0.00 -0.00 0.00 0.00 56.01 56.94 1lr1 n LEU 22 Cb 0.55 -0.71 0.46 0.00 -0.00 0.00 0.00 43.42 43.72 1lr1 n LEU 22 CO 0.49 -0.82 1.26 1.05 -0.00 0.00 0.00 177.39 179.38 1lr1 h GLU 23 N 0.00 0.00 -0.97 1.47 4.11 -1.99 1.27 114.58 118.46 1lr1 h GLU 23 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.61 1lr1 h GLU 23 Cb 0.12 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 1lr1 h GLU 23 CO 0.00 0.00 0.61 0.00 0.07 0.00 0.00 179.01 179.69 1lr1 h THR 24 N 0.00 0.74 -0.04 -1.06 1.03 -1.92 0.61 112.91 112.28 1lr1 h THR 24 Ca 0.49 -0.24 -0.02 0.00 -0.01 0.00 0.00 66.41 66.63 1lr1 h THR 24 Cb 2.88 -0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 69.93 1lr1 h THR 24 CO -0.01 0.13 -0.06 0.17 -0.01 0.00 0.00 175.52 175.75 1lr1 h LEU 25 N 0.71 0.11 -2.36 0.00 8.10 0.13 0.19 115.31 122.20 1lr1 h LEU 25 Ca 0.53 -0.54 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1lr1 h LEU 25 Cb 0.89 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 41.08 1lr1 h LEU 25 CO -0.30 0.64 0.21 1.05 -4.11 0.00 0.00 178.44 175.93 1lr1 h GLU 26 N -0.41 0.00 0.00 0.17 4.11 -1.28 3.85 114.58 121.01 1lr1 h GLU 26 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1lr1 h GLU 26 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1lr1 h GLU 26 CO 0.01 0.00 -0.25 1.49 0.07 0.00 0.00 179.01 180.33 1lr1 h GLU 27 N 0.00 0.00 0.07 1.06 4.81 -0.45 -3.29 114.58 116.77 1lr1 h GLU 27 Ca 0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.96 1lr1 h GLU 27 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1lr1 h GLU 27 CO -0.00 0.44 -1.50 0.52 -0.73 0.00 0.00 179.01 177.74 1lr1 h MET 28 N -1.00 0.14 -0.96 1.92 2.86 0.59 -3.34 114.93 115.14 1lr1 h MET 28 Ca -0.05 -0.24 0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1lr1 h MET 28 Cb 0.56 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 1lr1 h MET 28 CO -0.03 1.12 0.61 1.25 1.06 0.00 0.00 176.91 180.92 1lr1 h LEU 29 N -0.50 0.81 -1.28 1.22 5.85 0.71 0.58 115.31 122.71 1lr1 h LEU 29 Ca -0.35 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1lr1 h LEU 29 Cb 1.64 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 1lr1 h LEU 29 CO -0.05 0.41 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.33 1lr1 h GLU 30 N 0.86 0.42 0.01 1.25 4.81 -1.49 -0.93 114.58 119.51 1lr1 h GLU 30 Ca 0.49 -0.09 -0.26 0.00 -0.13 0.00 0.00 59.36 59.36 1lr1 h GLU 30 Cb 0.62 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1lr1 h GLU 30 CO -0.26 0.50 -1.44 0.87 -0.73 0.00 0.00 179.01 177.96 1lr1 h LYS 31 N 0.41 0.01 0.00 1.92 1.79 -1.07 -2.76 116.57 116.88 1lr1 h LYS 31 Ca 0.09 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1lr1 h LYS 31 Cb 0.35 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1lr1 h LYS 31 CO 0.02 0.72 -0.20 1.25 -1.08 0.00 0.00 179.45 180.15 1lr1 h LEU 32 N 0.00 0.00 0.15 2.94 5.85 0.40 0.74 115.31 125.39 1lr1 h LEU 32 Ca -0.18 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.22 1lr1 h LEU 32 Cb 1.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.95 1lr1 h LEU 32 CO 0.10 0.20 -1.63 1.05 -0.34 0.00 0.00 178.44 177.82 1lr1 h GLU 33 N 0.00 0.32 -0.42 1.25 4.11 -1.22 -3.29 114.58 115.33 1lr1 h GLU 33 Ca -0.00 -0.54 -0.05 0.00 0.07 0.00 0.00 59.36 58.83 1lr1 h GLU 33 Cb 0.61 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1lr1 h GLU 33 CO 0.03 1.26 0.05 -0.39 0.07 0.00 0.00 179.01 180.03 1lr1 h VAL 34 N -0.07 1.21 -0.17 -1.06 -1.51 -1.26 0.94 116.25 114.32 1lr1 h VAL 34 Ca -0.34 -0.79 0.04 0.00 -1.23 0.00 0.00 66.70 64.38 1lr1 h VAL 34 Cb 1.95 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 31.90 1lr1 h VAL 34 CO 0.12 0.28 -0.07 -0.37 -1.23 0.00 0.00 177.57 176.30 1lr1 h VAL 35 N 0.63 0.77 0.00 7.19 -1.51 -0.98 0.28 116.25 122.62 1lr1 h VAL 35 Ca 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.60 1lr1 h VAL 35 Cb 0.31 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1lr1 h VAL 35 CO 0.01 0.00 -0.03 -0.37 -1.23 0.00 0.00 177.57 175.95 1lr1 h VAL 36 N -0.04 0.05 -0.93 7.19 -1.51 -1.50 -2.18 116.25 117.33 1lr1 h VAL 36 Ca 0.09 -0.87 0.10 0.00 -1.23 0.00 0.00 66.70 64.79 1lr1 h VAL 36 Cb 0.18 1.83 -0.08 0.00 -2.13 0.00 0.00 31.29 31.09 1lr1 h VAL 36 CO -0.20 0.03 0.57 -1.13 -1.23 0.00 0.00 177.57 175.61 1lr1 h ASN 37 N 0.00 0.84 0.08 4.19 -1.24 0.30 2.68 115.58 122.43 1lr1 h ASN 37 Ca -0.00 0.04 -0.12 0.00 0.71 0.00 0.00 56.30 56.93 1lr1 h ASN 37 Cb 0.83 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 39.76 1lr1 h ASN 37 CO 0.00 0.47 -0.57 -0.33 -1.29 0.00 0.00 177.43 175.71 1lr1 h GLU 38 N 0.94 0.17 0.15 6.67 4.39 -1.22 -3.20 114.58 122.47 1lr1 h GLU 38 Ca 0.45 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1lr1 h GLU 38 Cb 0.41 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1lr1 h GLU 38 CO -0.25 1.14 -0.07 0.00 -1.16 0.00 0.00 179.01 178.66 1lr1 h ARG 39 N -0.64 -0.20 -0.65 2.33 -0.00 -0.82 -0.91 114.38 113.50 1lr1 h ARG 39 Ca -0.11 0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.51 1lr1 h ARG 39 Cb 1.39 0.04 -0.09 0.00 0.00 0.00 0.00 29.97 31.31 1lr1 h ARG 39 CO 0.07 0.02 0.15 0.00 0.00 0.00 0.00 179.97 180.20 1lr1 h ARG 40 N -0.38 0.26 -0.22 0.04 2.47 0.45 1.42 114.38 118.42 1lr1 h ARG 40 Ca -0.02 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.52 1lr1 h ARG 40 Cb 0.30 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1lr1 h ARG 40 CO 0.03 0.17 -0.51 0.93 0.56 0.00 0.00 179.97 181.15 1lr1 h GLU 41 N 0.27 0.62 0.05 0.04 5.08 -1.53 -2.65 114.58 116.46 1lr1 h GLU 41 Ca 0.35 -0.37 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 1lr1 h GLU 41 Cb 0.55 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1lr1 h GLU 41 CO -0.44 0.98 -1.25 0.93 -1.00 0.00 0.00 179.01 178.23 1lr1 h GLU 42 N 0.48 0.10 -0.09 2.33 5.08 -0.20 -3.21 114.58 119.07 1lr1 h GLU 42 Ca 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1lr1 h GLU 42 Cb 1.06 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1lr1 h GLU 42 CO 0.10 0.99 -0.03 0.93 -1.00 0.00 0.00 179.01 180.00 1lr1 h GLU 43 N 0.03 0.17 -0.42 2.33 4.39 0.19 0.27 114.58 121.53 1lr1 h GLU 43 Ca -0.12 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.59 1lr1 h GLU 43 Cb 1.89 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.51 1lr1 h GLU 43 CO 0.14 0.50 0.29 1.03 -1.16 0.00 0.00 179.01 179.81 1lr1 h SER 44 N -0.17 0.21 -0.12 1.42 0.87 -1.60 0.72 113.55 114.87 1lr1 h SER 44 Ca 0.02 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1lr1 h SER 44 Cb 0.44 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1lr1 h SER 44 CO 0.01 0.13 -0.25 0.00 -0.53 0.00 0.00 176.83 176.19 1lr1 h ALA 45 N 1.78 0.19 -0.74 6.23 0.00 -1.45 -1.70 119.26 123.57 1lr1 h ALA 45 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1lr1 h ALA 45 Cb 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1lr1 h ALA 45 CO -0.04 0.18 0.46 0.00 0.00 0.00 0.00 179.25 179.85 1lr1 h ALA 46 N 0.52 0.94 -0.20 0.00 0.00 0.12 -0.10 119.26 120.54 1lr1 h ALA 46 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1lr1 h ALA 46 Cb 0.85 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1lr1 h ALA 46 CO 0.06 0.39 -0.51 0.00 0.00 0.00 0.00 179.25 179.19 1lr1 h ALA 47 N 1.24 0.75 -0.08 0.00 0.00 -0.97 0.13 119.26 120.32 1lr1 h ALA 47 Ca 0.27 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1lr1 h ALA 47 Cb -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1lr1 h ALA 47 CO -0.05 0.68 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 1lr1 h ALA 48 N 1.02 0.13 0.07 0.00 0.00 -0.94 -3.35 119.26 116.18 1lr1 h ALA 48 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1lr1 h ALA 48 Cb 1.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1lr1 h ALA 48 CO 0.10 0.00 -0.42 1.05 0.00 0.00 0.00 179.25 179.98 1lr1 h GLU 49 N -0.21 0.14 -5.87 0.00 4.11 -1.08 -3.47 114.58 108.20 1lr1 h GLU 49 Ca 0.01 -0.25 -0.27 0.00 0.07 0.00 0.00 59.36 58.92 1lr1 h GLU 49 Cb 0.68 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.86 1lr1 h GLU 49 CO 0.03 1.12 -0.39 1.33 0.07 0.00 0.00 179.01 181.17 1lr1 n VAL 50 N -4.37 -0.06 0.00 -1.06 0.24 0.44 -4.80 118.33 108.72 1lr1 n VAL 50 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1lr1 n VAL 50 Cb 0.65 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1lr1 n VAL 50 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1lr1 n GLU 51 N -3.17 0.00 -3.29 7.34 2.13 -1.26 -5.11 120.64 117.27 1lr1 n GLU 51 Ca 0.04 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.49 1lr1 n GLU 51 Cb 0.48 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 1lr1 n GLU 51 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1lr1 s GLU 52 N -0.47 4.12 0.00 5.31 2.02 -1.26 -4.94 118.70 123.48 1lr1 s GLU 52 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.64 1lr1 s GLU 52 Cb 0.00 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1lr1 s GLU 52 CO 0.00 0.56 0.93 -2.13 0.02 0.00 0.00 175.26 174.64 1lr1 n ARG 53 N 1.29 0.76 -0.06 1.61 0.63 -1.26 -3.92 116.66 115.71 1lr1 n ARG 53 Ca -0.08 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.72 1lr1 n ARG 53 Cb 0.51 -1.12 -0.12 0.00 0.45 0.00 0.00 32.46 32.18 1lr1 n ARG 53 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1lr1 h THR 54 N 0.48 1.63 -3.32 5.15 1.35 -2.00 -3.51 112.91 112.70 1lr1 h THR 54 Ca 0.00 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1lr1 h THR 54 Cb 0.76 3.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1lr1 h THR 54 CO 0.00 0.52 -0.80 0.54 -0.25 0.00 0.00 175.52 175.53 1lr1 n ARG 55 N -4.67 -4.13 -0.24 4.72 1.74 -1.25 -4.76 116.66 108.07 1lr1 n ARG 55 Ca -0.09 3.05 -0.06 0.00 -0.77 0.00 0.00 57.85 59.97 1lr1 n ARG 55 Cb 0.42 -3.41 0.04 0.00 -1.02 0.00 0.00 32.46 28.49 1lr1 n ARG 55 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1lr1 h LYS 56 N 1.78 0.92 0.00 5.56 3.64 -1.97 -3.54 116.57 122.95 1lr1 h LYS 56 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1lr1 h LYS 56 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1lr1 h LYS 56 CO 0.00 0.69 0.00 -0.11 -2.27 0.00 0.00 179.45 177.76