#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 0.36 0.00 -1.46 4.57 -2.03 -0.42 114.58 115.59 1lr1 h GLU 2 Ca 0.00 -0.53 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1lr1 h GLU 2 Cb 0.00 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1lr1 h GLU 2 CO 0.00 1.22 -0.07 0.00 -1.18 0.00 0.00 179.01 178.98 1lr1 h ALA 3 N 0.57 0.97 0.11 2.92 0.00 -2.00 0.36 119.26 122.18 1lr1 h ALA 3 Ca -0.13 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1lr1 h ALA 3 Cb 1.88 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1lr1 h ALA 3 CO 0.20 0.09 -1.32 -0.07 0.00 0.00 0.00 179.25 178.15 1lr1 h LEU 4 N 0.00 0.35 0.00 0.00 4.07 -1.99 -3.37 115.31 114.37 1lr1 h LEU 4 Ca -0.00 -0.84 -0.09 0.00 0.08 0.00 0.00 57.88 57.03 1lr1 h LEU 4 Cb 0.89 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 1lr1 h LEU 4 CO 0.01 1.57 -0.60 0.50 -1.08 0.00 0.00 178.44 178.84 1lr1 h LYS 5 N -0.38 0.00 0.07 1.13 3.11 -1.07 0.20 116.57 119.63 1lr1 h LYS 5 Ca -0.29 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.58 1lr1 h LYS 5 Cb 1.70 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.88 1lr1 h LYS 5 CO 0.05 0.34 -0.37 0.97 -2.81 0.00 0.00 179.45 177.63 1lr1 h ILE 6 N 0.00 0.23 -0.00 2.00 2.10 -0.43 -1.30 117.51 120.10 1lr1 h ILE 6 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1lr1 h ILE 6 Cb 1.32 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1lr1 h ILE 6 CO 0.05 0.00 -0.48 0.00 -1.08 0.00 0.00 178.15 176.64 1lr1 n LEU 7 N -5.44 0.92 -2.55 2.19 -0.00 -1.25 -4.92 117.00 105.94 1lr1 n LEU 7 Ca -0.06 -0.25 -0.21 0.00 -0.00 0.00 0.00 56.01 55.49 1lr1 n LEU 7 Cb 0.35 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1lr1 n LEU 7 CO 0.19 0.19 -0.20 0.59 -0.00 0.00 0.00 177.39 178.17 1lr1 n ASN 8 N -1.04 -6.00 -1.71 1.45 3.02 -0.06 -4.42 115.26 106.51 1lr1 n ASN 8 Ca 0.08 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1lr1 n ASN 8 Cb 0.35 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 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 -2.14 -8.86 0.04 6.41 5.03 0.49 -3.78 115.26 112.45 1lr1 n ASN 9 Ca -0.21 1.24 0.22 0.00 0.87 0.00 0.00 54.58 56.70 1lr1 n ASN 9 Cb 0.67 -4.60 0.72 0.00 -1.02 0.00 0.00 39.78 35.55 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 2.69 0.35 0.03 2.41 -2.65 -1.91 -0.73 117.51 117.69 1lr1 h ILE 10 Ca 0.00 0.00 -0.00 0.00 1.03 0.00 0.00 64.86 65.89 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 -0.01 0.08 0.03 0.00 0.00 178.15 178.25 1lr1 h ARG 11 N 0.00 -0.03 -0.08 0.16 0.11 -1.93 0.28 114.38 112.88 1lr1 h ARG 11 Ca 0.25 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.09 1lr1 h ARG 11 Cb 1.32 0.01 0.02 0.00 1.11 0.00 0.00 29.97 32.43 1lr1 h ARG 11 CO -0.00 0.06 -0.87 1.15 0.10 0.00 0.00 179.97 180.41 1lr1 h THR 12 N -0.12 1.29 0.24 0.08 2.02 -1.27 -3.27 112.91 111.88 1lr1 h THR 12 Ca -0.00 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.08 1lr1 h THR 12 Cb 0.11 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1lr1 h THR 12 CO 0.01 0.65 -0.12 0.25 0.37 0.00 0.00 175.52 176.68 1lr1 h LEU 13 N 0.42 -0.28 -1.80 2.58 6.46 -1.23 -1.48 115.31 119.99 1lr1 h LEU 13 Ca -0.09 -0.10 0.38 0.00 -0.12 0.00 0.00 57.88 57.95 1lr1 h LEU 13 Cb 1.51 0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 41.44 1lr1 h LEU 13 CO 0.18 -0.07 0.91 -0.09 -0.62 0.00 0.00 178.44 178.74 1lr1 h ARG 14 N -0.47 0.08 0.00 1.25 9.65 -0.55 0.68 114.38 125.03 1lr1 h ARG 14 Ca -0.03 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 1lr1 h ARG 14 Cb 0.36 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1lr1 h ARG 14 CO 0.05 0.06 -0.34 0.00 2.80 0.00 0.00 179.97 182.54 1lr1 h ALA 15 N 1.41 0.07 -0.33 2.80 0.00 -1.53 0.85 119.26 122.54 1lr1 h ALA 15 Ca 0.66 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1lr1 h ALA 15 Cb 2.39 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 20.36 1lr1 h ALA 15 CO -0.12 0.19 -0.08 -0.56 0.00 0.00 0.00 179.25 178.68 1lr1 h GLN 16 N -0.99 0.55 0.00 0.00 3.07 -0.13 -2.10 115.11 115.52 1lr1 h GLN 16 Ca -0.09 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 58.50 1lr1 h GLN 16 Cb 1.09 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1lr1 h GLN 16 CO -0.05 0.64 -0.63 0.00 0.09 0.00 0.00 178.83 178.87 1lr1 h ALA 17 N 1.40 0.67 -1.80 0.06 0.00 0.17 -3.34 119.26 116.43 1lr1 h ALA 17 Ca 0.10 0.00 0.52 0.00 0.00 0.00 0.00 54.91 55.53 1lr1 h ALA 17 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1lr1 h ALA 17 CO 0.02 0.00 1.29 -0.09 0.00 0.00 0.00 179.25 180.47 1lr1 h ARG 18 N 0.00 0.00 -1.43 0.00 2.43 -0.08 1.48 114.38 116.78 1lr1 h ARG 18 Ca 0.00 -0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 1lr1 h ARG 18 Cb 0.97 -0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.17 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 -4.01 3.09 -3.80 0.20 0.28 -1.25 -4.99 120.64 110.15 1lr1 n GLU 19 Ca 0.40 -3.87 -0.03 0.00 -0.16 0.00 0.00 57.16 53.50 1lr1 n GLU 19 Cb 1.84 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 32.44 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1lr1 s SER 20 N -2.39 -0.09 0.65 -1.84 0.15 0.51 -5.14 113.70 105.55 1lr1 s SER 20 Ca 0.53 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 1lr1 s SER 20 Cb 0.44 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 65.20 1lr1 s SER 20 CO -0.19 -0.91 1.04 -0.89 1.20 0.00 0.00 173.24 173.49 1lr1 s THR 21 N -2.77 4.46 -0.16 6.45 2.01 -1.26 -4.92 115.64 119.44 1lr1 s THR 21 Ca 0.16 0.80 0.24 0.00 0.31 0.00 0.00 61.69 63.20 1lr1 s THR 21 Cb -0.01 -3.71 0.24 0.00 0.01 0.00 0.00 72.50 69.03 1lr1 s THR 21 CO 0.03 -1.04 1.73 0.17 -0.69 0.00 0.00 174.62 174.82 1lr1 h LEU 22 N -0.46 0.00 -1.34 4.42 -0.00 -2.02 -2.96 115.31 112.95 1lr1 h LEU 22 Ca -0.44 0.00 0.37 0.00 -0.00 0.00 0.00 57.88 57.81 1lr1 h LEU 22 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.81 1lr1 h LEU 22 CO 0.60 0.00 1.25 1.05 -0.00 0.00 0.00 178.44 181.35 1lr1 h GLU 23 N 0.00 0.00 -0.81 0.17 4.11 -2.00 1.19 114.58 117.24 1lr1 h GLU 23 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.57 1lr1 h GLU 23 Cb 0.05 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1lr1 h GLU 23 CO 0.00 0.00 0.39 0.00 0.07 0.00 0.00 179.01 179.47 1lr1 h THR 24 N 0.00 0.71 -0.32 -1.06 1.03 -1.92 0.72 112.91 112.07 1lr1 h THR 24 Ca 0.61 -0.19 -0.06 0.00 -0.01 0.00 0.00 66.41 66.76 1lr1 h THR 24 Cb 3.11 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 70.28 1lr1 h THR 24 CO -0.01 0.10 -0.04 0.17 -0.01 0.00 0.00 175.52 175.74 1lr1 h LEU 25 N 0.56 0.58 -1.99 0.00 8.10 0.12 0.23 115.31 122.91 1lr1 h LEU 25 Ca 0.45 -0.34 0.14 0.00 0.11 0.00 0.00 57.88 58.24 1lr1 h LEU 25 Cb 0.64 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.69 1lr1 h LEU 25 CO -0.37 0.78 0.45 -0.08 -4.11 0.00 0.00 178.44 175.10 1lr1 h GLU 26 N 0.37 0.00 0.00 0.17 4.81 -0.96 4.43 114.58 123.40 1lr1 h GLU 26 Ca 0.09 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1lr1 h GLU 26 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1lr1 h GLU 26 CO 0.02 0.00 -0.40 1.49 -0.73 0.00 0.00 179.01 179.39 1lr1 h GLU 27 N 0.00 0.00 0.02 1.92 4.81 -0.04 -3.28 114.58 118.01 1lr1 h GLU 27 Ca 0.23 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.24 1lr1 h GLU 27 Cb 1.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1lr1 h GLU 27 CO -0.00 0.96 -1.16 0.52 -0.73 0.00 0.00 179.01 178.60 1lr1 h MET 28 N -1.00 0.03 -1.00 1.92 2.86 0.91 -3.35 114.93 115.30 1lr1 h MET 28 Ca -0.11 -0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1lr1 h MET 28 Cb 1.06 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.66 1lr1 h MET 28 CO -0.07 1.03 0.63 1.25 1.06 0.00 0.00 176.91 180.81 1lr1 h LEU 29 N -0.89 0.89 -1.46 1.22 5.85 0.84 0.60 115.31 122.37 1lr1 h LEU 29 Ca -0.31 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1lr1 h LEU 29 Cb 1.34 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1lr1 h LEU 29 CO -0.15 0.45 0.00 -0.08 -0.34 0.00 0.00 178.44 178.32 1lr1 h GLU 30 N 0.94 0.35 0.00 1.25 4.81 -1.46 -0.93 114.58 119.53 1lr1 h GLU 30 Ca 0.51 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.43 1lr1 h GLU 30 Cb 0.58 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1lr1 h GLU 30 CO -0.28 0.38 -1.42 0.87 -0.73 0.00 0.00 179.01 177.83 1lr1 h LYS 31 N 0.34 0.00 0.00 1.92 1.79 -1.03 -2.92 116.57 116.68 1lr1 h LYS 31 Ca 0.08 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1lr1 h LYS 31 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1lr1 h LYS 31 CO 0.01 0.65 -0.21 1.25 -1.08 0.00 0.00 179.45 180.07 1lr1 h LEU 32 N 0.00 0.00 0.17 2.94 5.85 0.64 0.74 115.31 125.65 1lr1 h LEU 32 Ca -0.18 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.20 1lr1 h LEU 32 Cb 1.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1lr1 h LEU 32 CO 0.09 0.21 -1.75 1.05 -0.34 0.00 0.00 178.44 177.70 1lr1 h GLU 33 N 0.00 0.35 -0.42 1.25 -0.00 -1.24 -3.28 114.58 111.24 1lr1 h GLU 33 Ca -0.00 -0.60 -0.08 0.00 -0.00 0.00 0.00 59.36 58.68 1lr1 h GLU 33 Cb 0.52 0.22 -0.02 0.00 -0.00 0.00 0.00 28.75 29.48 1lr1 h GLU 33 CO 0.03 1.26 -0.06 -0.39 -0.00 0.00 0.00 179.01 179.85 1lr1 h VAL 34 N 0.10 1.24 -0.30 -1.06 -1.51 -1.28 1.13 116.25 114.57 1lr1 h VAL 34 Ca -0.34 -1.04 0.05 0.00 -1.23 0.00 0.00 66.70 64.13 1lr1 h VAL 34 Cb 2.08 0.98 -0.04 0.00 -2.13 0.00 0.00 31.29 32.18 1lr1 h VAL 34 CO 0.16 0.36 0.03 -0.37 -1.23 0.00 0.00 177.57 176.52 1lr1 h VAL 35 N 0.66 0.82 0.00 7.19 -1.51 -0.98 -0.22 116.25 122.22 1lr1 h VAL 35 Ca 0.12 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 65.54 1lr1 h VAL 35 Cb 0.49 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1lr1 h VAL 35 CO 0.03 0.02 -0.03 -0.37 -1.23 0.00 0.00 177.57 175.99 1lr1 h VAL 36 N 0.13 0.06 -1.00 7.19 -1.51 -1.52 -2.73 116.25 116.87 1lr1 h VAL 36 Ca 0.14 -1.03 0.10 0.00 -1.23 0.00 0.00 66.70 64.68 1lr1 h VAL 36 Cb 0.17 1.98 -0.08 0.00 -2.13 0.00 0.00 31.29 31.23 1lr1 h VAL 36 CO -0.21 0.03 0.64 -1.13 -1.23 0.00 0.00 177.57 175.67 1lr1 h ASN 37 N 0.00 0.96 0.15 4.19 -1.24 0.31 3.24 115.58 123.19 1lr1 h ASN 37 Ca -0.00 0.04 -0.24 0.00 0.71 0.00 0.00 56.30 56.81 1lr1 h ASN 37 Cb 0.98 -0.16 0.03 0.00 0.73 0.00 0.00 38.32 39.90 1lr1 h ASN 37 CO 0.00 0.54 -1.03 -0.33 -1.29 0.00 0.00 177.43 175.33 1lr1 h GLU 38 N 1.05 0.43 0.13 6.67 4.39 -1.30 -3.25 114.58 122.70 1lr1 h GLU 38 Ca 0.48 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1lr1 h GLU 38 Cb 0.39 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1lr1 h GLU 38 CO -0.24 1.30 -0.06 0.00 -1.16 0.00 0.00 179.01 178.85 1lr1 h ARG 39 N -0.10 -0.17 -1.03 2.33 -0.00 -0.98 0.30 114.38 114.72 1lr1 h ARG 39 Ca -0.17 0.01 0.32 0.00 -0.50 0.00 0.00 59.98 59.64 1lr1 h ARG 39 Cb 1.78 0.04 -0.14 0.00 0.00 0.00 0.00 29.97 31.65 1lr1 h ARG 39 CO 0.19 0.29 0.60 0.00 0.00 0.00 0.00 179.97 181.06 1lr1 h ARG 40 N -0.81 0.33 0.16 0.04 2.47 0.58 2.59 114.38 119.74 1lr1 h ARG 40 Ca -0.02 -0.02 -0.32 0.00 -1.26 0.00 0.00 59.98 58.36 1lr1 h ARG 40 Cb 0.54 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1lr1 h ARG 40 CO 0.03 0.22 -1.58 0.93 0.56 0.00 0.00 179.97 180.13 1lr1 h GLU 41 N 0.34 0.35 0.07 0.04 5.08 -1.58 -3.30 114.58 115.58 1lr1 h GLU 41 Ca 0.72 -0.60 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 1lr1 h GLU 41 Cb 1.68 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1lr1 h GLU 41 CO -0.56 1.28 -1.16 0.93 -1.00 0.00 0.00 179.01 178.51 1lr1 h GLU 42 N -0.05 0.15 -0.29 2.33 4.39 0.12 -3.18 114.58 118.05 1lr1 h GLU 42 Ca -0.32 -0.26 0.06 0.00 0.34 0.00 0.00 59.36 59.17 1lr1 h GLU 42 Cb 1.97 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.66 1lr1 h GLU 42 CO 0.14 1.13 -0.04 1.49 -1.16 0.00 0.00 179.01 180.57 1lr1 h GLU 43 N -0.56 0.04 -0.71 2.33 4.22 0.43 0.27 114.58 120.60 1lr1 h GLU 43 Ca -0.27 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.24 1lr1 h GLU 43 Cb 1.54 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 1lr1 h GLU 43 CO -0.01 0.02 0.47 0.66 -2.18 0.00 0.00 179.01 177.97 1lr1 h SER 44 N 0.04 0.65 -0.54 1.04 4.64 -1.62 0.52 113.55 118.28 1lr1 h SER 44 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1lr1 h SER 44 Cb 0.20 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1lr1 h SER 44 CO -0.27 0.42 0.25 0.00 -0.87 0.00 0.00 176.83 176.36 1lr1 h ALA 45 N 1.61 0.70 -0.56 5.18 0.00 -0.72 -1.57 119.26 123.91 1lr1 h ALA 45 Ca 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1lr1 h ALA 45 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lr1 h ALA 45 CO -0.10 0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.48 1lr1 h ALA 46 N 1.09 0.74 -0.41 0.00 0.00 0.11 0.94 119.26 121.74 1lr1 h ALA 46 Ca 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1lr1 h ALA 46 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1lr1 h ALA 46 CO -0.02 0.51 0.23 0.00 0.00 0.00 0.00 179.25 179.97 1lr1 h ALA 47 N 0.98 0.52 -0.36 0.00 0.00 -0.69 0.11 119.26 119.82 1lr1 h ALA 47 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1lr1 h ALA 47 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1lr1 h ALA 47 CO 0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 179.25 178.83 1lr1 h ALA 48 N 1.19 0.75 -0.77 0.00 0.00 -1.14 -3.08 119.26 116.22 1lr1 h ALA 48 Ca 0.17 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1lr1 h ALA 48 Cb 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1lr1 h ALA 48 CO -0.09 0.66 0.50 1.49 0.00 0.00 0.00 179.25 181.81 1lr1 h GLU 49 N 0.66 0.99 -3.23 0.00 4.81 -0.23 -3.18 114.58 114.39 1lr1 h GLU 49 Ca 0.07 -0.06 -0.60 0.00 -0.13 0.00 0.00 59.36 58.64 1lr1 h GLU 49 Cb 0.87 -0.22 0.02 0.00 0.63 0.00 0.00 28.75 30.05 1lr1 h GLU 49 CO 0.08 0.65 3.46 0.28 -0.73 0.00 0.00 179.01 182.75 1lr1 n VAL 50 N -4.57 3.72 0.00 0.32 0.31 -0.03 -4.91 118.33 113.18 1lr1 n VAL 50 Ca 0.08 -2.32 0.00 0.00 -0.01 0.00 0.00 64.34 62.09 1lr1 n VAL 50 Cb 0.04 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.48 1lr1 n VAL 50 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1lr1 n GLU 51 N 4.04 1.55 0.00 5.55 -0.00 -1.21 -4.99 120.64 125.59 1lr1 n GLU 51 Ca 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.83 1lr1 n GLU 51 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.66 1lr1 n GLU 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1lr1 n GLU 52 N 0.00 0.00 -0.08 3.44 -0.58 -1.26 -4.93 120.64 117.22 1lr1 n GLU 52 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1lr1 n GLU 52 Cb 0.00 -0.16 -0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1lr1 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lr1 h ARG 53 N 0.00 0.26 -6.80 3.49 3.08 -2.02 -3.42 114.38 108.98 1lr1 h ARG 53 Ca 0.00 -0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.50 1lr1 h ARG 53 Cb 0.00 -0.06 0.08 0.00 0.08 0.00 0.00 29.97 30.07 1lr1 h ARG 53 CO 0.00 0.18 0.82 0.99 -1.07 0.00 0.00 179.97 180.88 1lr1 s THR 54 N -6.17 2.31 -0.28 2.04 2.01 -1.26 -4.99 115.64 109.29 1lr1 s THR 54 Ca -0.13 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 1lr1 s THR 54 Cb 0.11 -3.17 0.16 0.00 0.01 0.00 0.00 72.50 69.61 1lr1 s THR 54 CO 0.70 0.05 1.26 0.00 -0.69 0.00 0.00 174.62 175.94 1lr1 s ARG 55 N -0.73 0.25 0.00 4.92 1.70 -1.26 -5.02 118.95 118.81 1lr1 s ARG 55 Ca 0.60 0.26 -0.05 0.00 -0.47 0.00 0.00 55.73 56.07 1lr1 s ARG 55 Cb -0.45 0.12 -0.22 0.00 -0.57 0.00 0.00 34.95 33.84 1lr1 s ARG 55 CO 0.48 -0.04 3.11 1.17 -1.08 0.00 0.00 175.30 178.95 1lr1 n LYS 56 N 1.69 1.67 0.00 3.89 4.81 -1.26 -5.25 118.16 123.71 1lr1 n LYS 56 Ca -0.10 -0.80 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 1lr1 n LYS 56 Cb 0.57 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85