#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 0.40 0.00 -1.46 4.57 -2.04 -0.75 114.58 115.31 1lr1 h GLU 2 Ca 0.00 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1lr1 h GLU 2 Cb 0.00 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1lr1 h GLU 2 CO 0.00 1.11 -0.07 0.00 -1.18 0.00 0.00 179.01 178.87 1lr1 h ALA 3 N 0.73 0.96 0.14 2.92 0.00 -1.99 0.34 119.26 122.36 1lr1 h ALA 3 Ca -0.08 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 1lr1 h ALA 3 Cb 1.59 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1lr1 h ALA 3 CO 0.16 0.09 -1.29 -0.07 0.00 0.00 0.00 179.25 178.15 1lr1 h LEU 4 N 0.00 0.46 0.00 0.00 4.07 -1.98 -3.36 115.31 114.50 1lr1 h LEU 4 Ca -0.00 -0.89 -0.06 0.00 0.08 0.00 0.00 57.88 57.01 1lr1 h LEU 4 Cb 0.95 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1lr1 h LEU 4 CO 0.01 1.58 -0.70 0.50 -1.08 0.00 0.00 178.44 178.76 1lr1 h LYS 5 N -0.26 0.00 -0.55 1.13 1.63 -1.14 0.17 116.57 117.55 1lr1 h LYS 5 Ca -0.26 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.62 1lr1 h LYS 5 Cb 1.79 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 33.35 1lr1 h LYS 5 CO 0.11 0.19 0.19 0.97 -3.45 0.00 0.00 179.45 177.46 1lr1 h ILE 6 N 0.00 0.79 0.00 2.00 2.10 -0.45 -2.28 117.51 119.68 1lr1 h ILE 6 Ca -0.04 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1lr1 h ILE 6 Cb 1.22 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1lr1 h ILE 6 CO 0.03 0.07 -0.82 0.00 -1.08 0.00 0.00 178.15 176.34 1lr1 n LEU 7 N -5.01 0.69 -2.41 2.19 -0.00 -1.25 -4.83 117.00 106.37 1lr1 n LEU 7 Ca 0.07 -0.46 -0.19 0.00 -0.00 0.00 0.00 56.01 55.43 1lr1 n LEU 7 Cb 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.68 1lr1 n LEU 7 CO 0.23 0.17 -0.08 -3.20 -0.00 0.00 0.00 177.39 174.51 1lr1 n ASN 8 N -1.42 -5.39 -1.96 1.45 4.05 0.40 -4.53 115.26 107.86 1lr1 n ASN 8 Ca 0.03 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1lr1 n ASN 8 Cb 0.26 -4.30 0.00 0.00 1.23 0.00 0.00 39.78 36.97 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1lr1 n ASN 9 N -1.73 -9.51 -0.05 1.20 5.03 -0.00 -4.09 115.26 106.11 1lr1 n ASN 9 Ca -0.14 1.39 0.22 0.00 0.87 0.00 0.00 54.58 56.92 1lr1 n ASN 9 Cb 0.62 -5.19 0.69 0.00 -1.02 0.00 0.00 39.78 34.88 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 3.45 0.70 -0.34 2.41 -2.65 -1.91 -1.07 117.51 118.10 1lr1 h ILE 10 Ca 0.00 -0.01 0.07 0.00 1.03 0.00 0.00 64.86 65.95 1lr1 h ILE 10 Cb 0.00 0.67 -0.07 0.00 -2.05 0.00 0.00 36.82 35.38 1lr1 h ILE 10 CO 0.00 0.00 -0.09 0.08 0.03 0.00 0.00 178.15 178.17 1lr1 h ARG 11 N 0.02 -0.01 0.12 0.16 0.11 -1.95 0.25 114.38 113.08 1lr1 h ARG 11 Ca 0.30 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.07 1lr1 h ARG 11 Cb 1.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1lr1 h ARG 11 CO -0.01 -0.01 -1.56 1.15 0.10 0.00 0.00 179.97 179.65 1lr1 h THR 12 N -0.01 1.12 0.46 0.08 2.02 -1.56 -3.38 112.91 111.64 1lr1 h THR 12 Ca 0.16 -2.77 -0.02 0.00 0.77 0.00 0.00 66.41 64.55 1lr1 h THR 12 Cb 0.26 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1lr1 h THR 12 CO -0.35 0.81 -0.22 0.25 0.37 0.00 0.00 175.52 176.38 1lr1 h LEU 13 N 0.07 -0.52 -1.56 2.58 6.46 -1.00 -1.17 115.31 120.17 1lr1 h LEU 13 Ca -0.25 -0.08 0.40 0.00 -0.12 0.00 0.00 57.88 57.83 1lr1 h LEU 13 Cb 2.02 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 41.98 1lr1 h LEU 13 CO 0.16 -0.20 0.88 0.08 -0.62 0.00 0.00 178.44 178.73 1lr1 h ARG 14 N -0.86 0.13 0.01 1.25 0.11 -0.70 0.65 114.38 114.97 1lr1 h ARG 14 Ca -0.06 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 1lr1 h ARG 14 Cb 0.57 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 1lr1 h ARG 14 CO 0.10 0.09 -0.47 0.00 0.10 0.00 0.00 179.97 179.79 1lr1 h ALA 15 N 1.50 0.09 -0.52 0.08 0.00 -1.70 0.62 119.26 119.33 1lr1 h ALA 15 Ca 0.74 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1lr1 h ALA 15 Cb 2.42 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 20.44 1lr1 h ALA 15 CO -0.28 0.26 0.30 -0.56 0.00 0.00 0.00 179.25 178.98 1lr1 h GLN 16 N -0.97 0.71 0.00 0.00 3.07 0.14 -1.06 115.11 117.00 1lr1 h GLN 16 Ca -0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 58.65 58.51 1lr1 h GLN 16 Cb 1.13 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.54 1lr1 h GLN 16 CO -0.06 0.50 -0.77 0.00 0.09 0.00 0.00 178.83 178.59 1lr1 h ALA 17 N 1.62 0.67 -0.90 0.06 0.00 0.11 -3.32 119.26 117.49 1lr1 h ALA 17 Ca 0.19 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1lr1 h ALA 17 Cb -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1lr1 h ALA 17 CO -0.03 0.24 0.63 -0.09 0.00 0.00 0.00 179.25 179.99 1lr1 h ARG 18 N 0.00 0.15 -0.51 0.00 1.12 0.51 0.53 114.38 116.18 1lr1 h ARG 18 Ca -0.03 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.80 1lr1 h ARG 18 Cb 1.15 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.05 1lr1 h ARG 18 CO 0.02 0.10 0.19 0.93 -3.11 0.00 0.00 179.97 178.09 1lr1 h GLU 19 N 0.16 0.75 0.00 0.20 5.08 -1.65 -3.44 114.58 115.67 1lr1 h GLU 19 Ca 0.45 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1lr1 h GLU 19 Cb 1.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1lr1 h GLU 19 CO -0.08 0.63 0.00 0.43 -1.00 0.00 0.00 179.01 178.99 1lr1 n SER 20 N -4.33 0.00 -4.88 1.42 7.64 0.19 -5.14 113.62 108.52 1lr1 n SER 20 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 1lr1 n SER 20 Cb 0.17 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 3.89 3.24 -0.21 0.44 2.01 -1.25 -4.98 115.64 118.77 1lr1 s THR 21 Ca 0.00 -1.32 0.20 0.00 0.31 0.00 0.00 61.69 60.88 1lr1 s THR 21 Cb 0.00 -3.12 0.20 0.00 0.01 0.00 0.00 72.50 69.58 1lr1 s THR 21 CO 0.00 -0.11 1.60 0.00 -0.69 0.00 0.00 174.62 175.42 1lr1 n LEU 22 N -1.47 0.52 -0.40 4.42 -0.00 -1.26 -2.72 117.00 116.09 1lr1 n LEU 22 Ca 0.01 0.73 0.38 0.00 -0.00 0.00 0.00 56.01 57.12 1lr1 n LEU 22 Cb 0.60 -0.79 0.58 0.00 -0.00 0.00 0.00 43.42 43.82 1lr1 n LEU 22 CO 0.42 -0.91 1.35 -0.08 -0.00 0.00 0.00 177.39 178.17 1lr1 h GLU 23 N 0.00 0.00 -0.84 1.47 4.81 -1.96 1.15 114.58 119.21 1lr1 h GLU 23 Ca 0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1lr1 h GLU 23 Cb 0.06 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 1lr1 h GLU 23 CO 0.00 0.00 0.42 0.00 -0.73 0.00 0.00 179.01 178.70 1lr1 h THR 24 N 0.00 0.70 -0.38 0.32 1.03 -1.90 0.93 112.91 113.62 1lr1 h THR 24 Ca 0.66 -0.20 -0.08 0.00 -0.01 0.00 0.00 66.41 66.78 1lr1 h THR 24 Cb 3.25 0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 70.39 1lr1 h THR 24 CO -0.01 0.11 -0.09 0.17 -0.01 0.00 0.00 175.52 175.69 1lr1 h LEU 25 N 0.58 0.73 -2.07 0.00 8.10 0.11 0.26 115.31 123.01 1lr1 h LEU 25 Ca 0.46 -0.36 0.09 0.00 0.11 0.00 0.00 57.88 58.18 1lr1 h LEU 25 Cb 0.68 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1lr1 h LEU 25 CO -0.38 0.92 0.35 -0.08 -4.11 0.00 0.00 178.44 175.14 1lr1 h GLU 26 N 0.53 0.00 0.00 0.17 4.81 -0.92 4.23 114.58 123.40 1lr1 h GLU 26 Ca 0.10 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1lr1 h GLU 26 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1lr1 h GLU 26 CO 0.04 0.00 -0.35 0.93 -0.73 0.00 0.00 179.01 178.90 1lr1 h GLU 27 N 0.00 0.00 0.05 1.92 4.39 0.13 -3.30 114.58 117.76 1lr1 h GLU 27 Ca 0.14 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.57 1lr1 h GLU 27 Cb 0.83 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1lr1 h GLU 27 CO -0.00 0.71 -1.46 0.52 -1.16 0.00 0.00 179.01 177.62 1lr1 h MET 28 N -1.00 0.10 -0.64 2.33 2.86 0.77 -3.32 114.93 116.02 1lr1 h MET 28 Ca -0.08 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.48 1lr1 h MET 28 Cb 0.83 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 1lr1 h MET 28 CO -0.05 1.08 0.43 1.25 1.06 0.00 0.00 176.91 180.67 1lr1 h LEU 29 N -0.64 0.46 -0.67 1.22 5.85 0.80 0.76 115.31 123.10 1lr1 h LEU 29 Ca -0.36 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 1lr1 h LEU 29 Cb 1.55 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1lr1 h LEU 29 CO -0.10 0.28 -0.55 -0.08 -0.34 0.00 0.00 178.44 177.66 1lr1 h GLU 30 N 0.52 0.34 0.00 1.25 4.81 -1.43 -2.21 114.58 117.85 1lr1 h GLU 30 Ca 0.29 -0.21 -0.23 0.00 -0.13 0.00 0.00 59.36 59.08 1lr1 h GLU 30 Cb 0.46 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1lr1 h GLU 30 CO -0.09 0.80 -1.39 0.87 -0.73 0.00 0.00 179.01 178.48 1lr1 h LYS 31 N 0.26 0.00 0.00 1.92 1.79 -1.30 -3.00 116.57 116.24 1lr1 h LYS 31 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1lr1 h LYS 31 Cb 1.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1lr1 h LYS 31 CO 0.09 0.56 -0.27 1.25 -1.08 0.00 0.00 179.45 179.99 1lr1 h LEU 32 N 0.00 0.00 0.05 2.94 5.85 0.52 0.25 115.31 124.92 1lr1 h LEU 32 Ca -0.17 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.27 1lr1 h LEU 32 Cb 1.81 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 1lr1 h LEU 32 CO 0.08 0.27 -1.43 1.05 -0.34 0.00 0.00 178.44 178.08 1lr1 h GLU 33 N 0.00 0.10 -0.07 1.25 -0.00 -1.45 -3.20 114.58 111.20 1lr1 h GLU 33 Ca -0.00 -0.18 -0.23 0.00 -0.00 0.00 0.00 59.36 58.95 1lr1 h GLU 33 Cb 0.70 0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.53 1lr1 h GLU 33 CO 0.04 0.90 -0.87 -0.39 -0.00 0.00 0.00 179.01 178.69 1lr1 h VAL 34 N 0.03 1.31 -0.49 -1.06 -1.51 -1.31 1.47 116.25 114.69 1lr1 h VAL 34 Ca -0.19 -2.15 0.08 0.00 -1.23 0.00 0.00 66.70 63.21 1lr1 h VAL 34 Cb 1.94 2.18 -0.06 0.00 -2.13 0.00 0.00 31.29 33.22 1lr1 h VAL 34 CO 0.13 0.66 0.13 -0.37 -1.23 0.00 0.00 177.57 176.90 1lr1 h VAL 35 N 0.41 0.77 0.00 7.19 -1.51 -0.61 -0.40 116.25 122.10 1lr1 h VAL 35 Ca -0.07 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1lr1 h VAL 35 Cb 1.50 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1lr1 h VAL 35 CO 0.17 0.05 -0.52 1.62 -1.23 0.00 0.00 177.57 177.66 1lr1 h VAL 36 N 0.29 0.00 -0.93 7.19 3.04 -1.54 -3.22 116.25 121.08 1lr1 h VAL 36 Ca 0.24 -0.94 0.11 0.00 -1.01 0.00 0.00 66.70 65.11 1lr1 h VAL 36 Cb 0.30 1.66 -0.07 0.00 -2.01 0.00 0.00 31.29 31.17 1lr1 h VAL 36 CO -0.28 0.00 0.60 -1.13 -1.01 0.00 0.00 177.57 175.74 1lr1 h ASN 37 N 0.00 0.83 -0.04 3.17 -1.24 0.38 3.30 115.58 121.97 1lr1 h ASN 37 Ca 0.00 0.03 -0.24 0.00 0.71 0.00 0.00 56.30 56.80 1lr1 h ASN 37 Cb 0.97 -0.14 0.02 0.00 0.73 0.00 0.00 38.32 39.90 1lr1 h ASN 37 CO 0.00 0.47 -0.90 -0.33 -1.29 0.00 0.00 177.43 175.37 1lr1 h GLU 38 N 0.90 0.69 0.16 6.67 5.08 -1.48 -3.09 114.58 123.52 1lr1 h GLU 38 Ca 0.45 -0.68 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1lr1 h GLU 38 Cb 0.47 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1lr1 h GLU 38 CO -0.21 1.28 -0.08 0.00 -1.00 0.00 0.00 179.01 179.00 1lr1 h ARG 39 N 0.37 -0.21 -0.96 2.33 -0.00 -1.05 0.28 114.38 115.14 1lr1 h ARG 39 Ca -0.10 0.01 0.29 0.00 -0.50 0.00 0.00 59.98 59.68 1lr1 h ARG 39 Cb 1.56 0.05 -0.15 0.00 0.00 0.00 0.00 29.97 31.43 1lr1 h ARG 39 CO 0.18 0.21 0.45 0.00 0.00 0.00 0.00 179.97 180.81 1lr1 h ARG 40 N -0.72 0.28 0.09 0.04 2.47 0.59 1.74 114.38 118.87 1lr1 h ARG 40 Ca -0.02 -0.02 -0.27 0.00 -1.26 0.00 0.00 59.98 58.41 1lr1 h ARG 40 Cb 0.51 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1lr1 h ARG 40 CO 0.04 0.19 -1.42 0.93 0.56 0.00 0.00 179.97 180.27 1lr1 h GLU 41 N 0.29 0.19 0.21 0.04 5.08 -1.53 -3.33 114.58 115.54 1lr1 h GLU 41 Ca 0.67 -0.33 -0.32 0.00 -1.00 0.00 0.00 59.36 58.38 1lr1 h GLU 41 Cb 1.47 0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.86 1lr1 h GLU 41 CO -0.62 1.16 -1.48 1.49 -1.00 0.00 0.00 179.01 178.56 1lr1 h GLU 42 N -0.40 0.45 -0.35 2.33 4.81 0.20 -3.26 114.58 118.36 1lr1 h GLU 42 Ca -0.32 -0.77 0.04 0.00 -0.13 0.00 0.00 59.36 58.18 1lr1 h GLU 42 Cb 1.69 0.29 -0.04 0.00 0.63 0.00 0.00 28.75 31.32 1lr1 h GLU 42 CO 0.01 1.37 0.12 1.49 -0.73 0.00 0.00 179.01 181.27 1lr1 h GLU 43 N 0.04 0.26 -0.83 1.92 4.22 0.25 0.26 114.58 120.69 1lr1 h GLU 43 Ca -0.27 -0.02 0.15 0.00 0.08 0.00 0.00 59.36 59.30 1lr1 h GLU 43 Cb 2.06 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.19 1lr1 h GLU 43 CO 0.22 0.17 0.55 1.03 -2.18 0.00 0.00 179.01 178.80 1lr1 h SER 44 N 0.27 0.51 -0.50 1.04 0.87 -1.67 0.49 113.55 114.57 1lr1 h SER 44 Ca 0.16 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1lr1 h SER 44 Cb 0.14 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1lr1 h SER 44 CO -0.17 0.26 -0.02 0.00 -0.53 0.00 0.00 176.83 176.37 1lr1 h ALA 45 N 1.62 0.67 -0.74 6.23 0.00 -0.74 -1.64 119.26 124.67 1lr1 h ALA 45 Ca 0.42 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1lr1 h ALA 45 Cb 0.83 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1lr1 h ALA 45 CO -0.17 0.50 0.23 0.00 0.00 0.00 0.00 179.25 179.81 1lr1 h ALA 46 N 0.93 0.97 -0.21 0.00 0.00 0.29 0.30 119.26 121.54 1lr1 h ALA 46 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1lr1 h ALA 46 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1lr1 h ALA 46 CO 0.03 0.66 0.07 0.00 0.00 0.00 0.00 179.25 180.01 1lr1 h ALA 47 N 1.12 0.28 -0.21 0.00 0.00 -0.46 -1.44 119.26 118.54 1lr1 h ALA 47 Ca 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1lr1 h ALA 47 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1lr1 h ALA 47 CO -0.01 -0.10 -0.39 0.00 0.00 0.00 0.00 179.25 178.75 1lr1 h ALA 48 N 0.90 0.93 -0.01 0.00 0.00 -1.14 -1.02 119.26 118.91 1lr1 h ALA 48 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1lr1 h ALA 48 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1lr1 h ALA 48 CO -0.00 0.63 0.01 1.49 0.00 0.00 0.00 179.25 181.37 1lr1 h GLU 49 N 0.40 0.01 -0.17 0.00 4.81 -0.16 -3.12 114.58 116.36 1lr1 h GLU 49 Ca 0.04 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 1lr1 h GLU 49 Cb 0.86 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1lr1 h GLU 49 CO 0.07 0.02 -0.45 -0.39 -0.73 0.00 0.00 179.01 177.54 1lr1 h VAL 50 N 0.01 1.34 -3.35 0.32 -1.51 -1.24 -3.44 116.25 108.37 1lr1 h VAL 50 Ca 0.00 -1.70 -0.53 0.00 -1.23 0.00 0.00 66.70 63.25 1lr1 h VAL 50 Cb 0.01 1.97 0.05 0.00 -2.13 0.00 0.00 31.29 31.19 1lr1 h VAL 50 CO -0.00 0.52 0.75 -0.70 -1.23 0.00 0.00 177.57 176.92 1lr1 s GLU 51 N -3.93 4.28 0.00 5.19 2.12 -0.39 -4.46 118.70 121.50 1lr1 s GLU 51 Ca -0.12 2.28 0.00 0.00 0.36 0.00 0.00 54.97 57.48 1lr1 s GLU 51 Cb 0.07 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1lr1 s GLU 51 CO 0.83 -0.41 0.00 -0.85 -0.54 0.00 0.00 175.26 174.29 1lr1 n GLU 52 N 2.46 0.00 -0.22 4.30 0.28 -1.26 -4.83 120.64 121.37 1lr1 n GLU 52 Ca 0.07 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.99 1lr1 n GLU 52 Cb 0.40 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.30 1lr1 n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1lr1 h ARG 53 N 0.00 1.02 -2.60 3.44 2.43 -2.00 -3.44 114.38 113.24 1lr1 h ARG 53 Ca 0.00 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 58.80 1lr1 h ARG 53 Cb 0.00 -0.13 -0.24 0.00 -0.42 0.00 0.00 29.97 29.19 1lr1 h ARG 53 CO 0.00 0.94 -0.19 0.95 -1.51 0.00 0.00 179.97 180.17 1lr1 s THR 54 N -5.25 -0.00 0.38 0.20 -4.23 -1.26 -5.14 115.64 100.33 1lr1 s THR 54 Ca -0.12 0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.13 1lr1 s THR 54 Cb 0.13 -0.66 -0.11 0.00 1.34 0.00 0.00 72.50 73.21 1lr1 s THR 54 CO 0.83 0.01 1.32 -2.11 -0.54 0.00 0.00 174.62 174.13 1lr1 n ARG 55 N 3.15 2.14 -0.65 3.99 0.00 -1.26 -4.83 116.66 119.19 1lr1 n ARG 55 Ca -0.15 0.75 -0.05 0.00 -0.00 0.00 0.00 57.85 58.40 1lr1 n ARG 55 Cb 0.57 -2.41 -0.07 0.00 -0.00 0.00 0.00 32.46 30.55 1lr1 n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1lr1 n LYS 56 N 0.32 1.30 -0.43 2.89 5.02 -1.26 -5.12 118.16 120.88 1lr1 n LYS 56 Ca 0.05 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1lr1 n LYS 56 Cb 0.38 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1lr1 n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77