#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 4.81 -2.03 0.74 114.58 119.52 1lr1 h GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1lr1 h GLU 2 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1lr1 h GLU 2 CO 0.00 0.61 -0.48 0.00 -0.73 0.00 0.00 179.01 178.41 1lr1 h ALA 3 N 1.39 0.81 0.19 2.92 0.00 -2.01 0.87 119.26 123.42 1lr1 h ALA 3 Ca -0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 1lr1 h ALA 3 Cb 1.14 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1lr1 h ALA 3 CO 0.08 0.60 -1.70 -0.07 0.00 0.00 0.00 179.25 178.16 1lr1 h LEU 4 N 0.00 0.62 0.00 0.00 4.07 -1.96 -3.35 115.31 114.69 1lr1 h LEU 4 Ca -0.00 -0.93 -0.04 0.00 0.08 0.00 0.00 57.88 56.98 1lr1 h LEU 4 Cb 1.17 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1lr1 h LEU 4 CO 0.06 1.77 -0.57 0.50 -1.08 0.00 0.00 178.44 179.12 1lr1 h LYS 5 N 0.07 0.00 -0.28 1.13 1.63 -0.84 0.26 116.57 118.55 1lr1 h LYS 5 Ca -0.33 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.51 1lr1 h LYS 5 Cb 2.08 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.66 1lr1 h LYS 5 CO 0.18 0.13 -0.00 0.97 -3.45 0.00 0.00 179.45 177.27 1lr1 h ILE 6 N 0.00 0.79 0.00 2.00 -0.00 0.65 -2.03 117.51 118.92 1lr1 h ILE 6 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1lr1 h ILE 6 Cb 1.14 0.71 0.00 0.00 -0.00 0.00 0.00 36.82 38.67 1lr1 h ILE 6 CO 0.02 0.01 -1.02 0.00 -0.00 0.00 0.00 178.15 177.16 1lr1 n LEU 7 N -5.16 0.86 -1.96 2.19 -0.00 -1.25 -4.78 117.00 106.90 1lr1 n LEU 7 Ca -0.00 -0.40 -0.16 0.00 -0.00 0.00 0.00 56.01 55.45 1lr1 n LEU 7 Cb 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1lr1 n LEU 7 CO 0.23 0.21 -0.15 0.59 -0.00 0.00 0.00 177.39 178.28 1lr1 n ASN 8 N -1.57 -4.83 -2.01 1.45 4.13 0.06 -4.56 115.26 107.93 1lr1 n ASN 8 Ca 0.04 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1lr1 n ASN 8 Cb 0.35 -3.88 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1lr1 n ASN 9 N -1.16 -9.63 0.14 6.41 5.03 0.70 -3.98 115.26 112.76 1lr1 n ASN 9 Ca -0.16 1.42 0.18 0.00 0.87 0.00 0.00 54.58 56.88 1lr1 n ASN 9 Cb 0.63 -5.30 0.77 0.00 -1.02 0.00 0.00 39.78 34.86 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 3.60 0.57 0.31 2.41 -2.65 -1.90 -0.78 117.51 119.06 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 0.80 0.00 0.00 -2.05 0.00 0.00 36.82 35.57 1lr1 h ILE 10 CO 0.00 0.00 -0.15 0.08 0.03 0.00 0.00 178.15 178.11 1lr1 h ARG 11 N 0.00 -0.40 -0.11 0.16 0.11 -1.95 0.18 114.38 112.37 1lr1 h ARG 11 Ca 0.13 0.03 -0.13 0.00 0.10 0.00 0.00 59.98 60.11 1lr1 h ARG 11 Cb 0.65 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 1lr1 h ARG 11 CO -0.00 -0.19 -0.49 1.15 0.10 0.00 0.00 179.97 180.54 1lr1 h THR 12 N -0.52 1.34 0.55 0.08 2.02 -1.56 -3.26 112.91 111.55 1lr1 h THR 12 Ca -0.04 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 1lr1 h THR 12 Cb 0.39 1.80 0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1lr1 h THR 12 CO 0.07 0.51 -0.26 0.25 0.37 0.00 0.00 175.52 176.46 1lr1 h LEU 13 N 0.23 -0.62 -1.83 2.58 5.85 -0.99 -1.01 115.31 119.51 1lr1 h LEU 13 Ca 0.01 -0.04 0.37 0.00 0.84 0.00 0.00 57.88 59.07 1lr1 h LEU 13 Cb 0.95 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 1lr1 h LEU 13 CO 0.08 -0.34 1.03 -0.09 -0.34 0.00 0.00 178.44 178.78 1lr1 h ARG 14 N -0.90 0.00 0.00 1.25 9.65 -0.67 0.65 114.38 124.37 1lr1 h ARG 14 Ca -0.08 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.63 1lr1 h ARG 14 Cb 0.62 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1lr1 h ARG 14 CO 0.12 0.00 -0.96 0.00 2.80 0.00 0.00 179.97 181.93 1lr1 h ALA 15 N 1.15 0.20 -0.41 2.80 0.00 -1.56 -1.51 119.26 119.92 1lr1 h ALA 15 Ca 0.61 -1.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1lr1 h ALA 15 Cb 2.67 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 21.00 1lr1 h ALA 15 CO -0.01 0.54 -0.03 -0.56 0.00 0.00 0.00 179.25 179.19 1lr1 h GLN 16 N -0.98 0.68 0.00 0.00 3.07 0.28 -2.25 115.11 115.92 1lr1 h GLN 16 Ca -0.26 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1lr1 h GLN 16 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1lr1 h GLN 16 CO -0.15 0.72 -0.62 0.00 0.09 0.00 0.00 178.83 178.87 1lr1 h ALA 17 N 1.33 0.68 -1.63 0.06 0.00 0.06 -3.33 119.26 116.41 1lr1 h ALA 17 Ca 0.13 0.00 0.48 0.00 0.00 0.00 0.00 54.91 55.51 1lr1 h ALA 17 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1lr1 h ALA 17 CO 0.02 0.00 1.17 -0.09 0.00 0.00 0.00 179.25 180.35 1lr1 h ARG 18 N 0.00 0.01 -1.15 0.00 9.65 -0.63 1.64 114.38 123.90 1lr1 h ARG 18 Ca 0.00 -0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.19 1lr1 h ARG 18 Cb 0.95 -0.00 -0.30 0.00 -1.39 0.00 0.00 29.97 29.23 1lr1 h ARG 18 CO 0.00 0.01 0.78 0.39 2.80 0.00 0.00 179.97 183.95 1lr1 n GLU 19 N -4.10 2.77 -3.71 0.20 -0.58 -1.25 -4.95 120.64 109.02 1lr1 n GLU 19 Ca 0.37 -3.40 -0.00 0.00 -0.42 0.00 0.00 57.16 53.71 1lr1 n GLU 19 Cb 1.68 -2.29 -0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1lr1 s SER 20 N -1.85 -0.08 1.07 1.62 0.15 0.56 -5.14 113.70 110.04 1lr1 s SER 20 Ca 0.62 -0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.84 1lr1 s SER 20 Cb 0.49 0.28 0.23 0.00 -1.71 0.00 0.00 66.02 65.31 1lr1 s SER 20 CO -0.08 -0.52 1.17 0.42 1.20 0.00 0.00 173.24 175.43 1lr1 s THR 21 N -2.59 1.81 -0.62 6.45 -4.23 -1.26 -4.92 115.64 110.27 1lr1 s THR 21 Ca 0.16 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1lr1 s THR 21 Cb 0.02 -2.66 0.24 0.00 1.34 0.00 0.00 72.50 71.44 1lr1 s THR 21 CO -0.01 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.78 1lr1 n LEU 22 N -4.29 0.59 -0.38 4.79 -0.00 -1.26 -3.59 117.00 112.87 1lr1 n LEU 22 Ca 0.12 0.62 0.36 0.00 -0.00 0.00 0.00 56.01 57.11 1lr1 n LEU 22 Cb 0.59 -0.51 0.56 0.00 -0.00 0.00 0.00 43.42 44.06 1lr1 n LEU 22 CO 0.49 -0.41 1.33 1.21 -0.00 0.00 0.00 177.39 180.00 1lr1 n GLU 23 N -2.13 0.01 -0.35 1.47 2.13 -1.26 0.13 120.64 120.63 1lr1 n GLU 23 Ca 0.03 1.04 0.12 0.00 0.66 0.00 0.00 57.16 59.01 1lr1 n GLU 23 Cb 0.27 -2.51 0.31 0.00 0.27 0.00 0.00 31.44 29.78 1lr1 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lr1 h THR 24 N 0.00 0.73 -0.29 6.31 1.03 -1.96 0.12 112.91 118.85 1lr1 h THR 24 Ca 0.64 -0.27 -0.08 0.00 -0.01 0.00 0.00 66.41 66.69 1lr1 h THR 24 Cb 3.20 -0.13 -0.01 0.00 -1.07 0.00 0.00 68.15 70.15 1lr1 h THR 24 CO -0.01 0.14 -0.13 0.17 -0.01 0.00 0.00 175.52 175.68 1lr1 h LEU 25 N 0.79 0.62 -2.06 0.00 8.10 0.68 0.29 115.31 123.73 1lr1 h LEU 25 Ca 0.57 -0.40 0.09 0.00 0.11 0.00 0.00 57.88 58.25 1lr1 h LEU 25 Cb 0.86 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 1lr1 h LEU 25 CO -0.37 0.89 0.36 -0.08 -4.11 0.00 0.00 178.44 175.12 1lr1 h GLU 26 N 0.35 0.00 0.00 0.17 4.81 -0.90 4.24 114.58 123.25 1lr1 h GLU 26 Ca 0.07 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1lr1 h GLU 26 Cb 0.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1lr1 h GLU 26 CO 0.04 0.00 -0.27 0.93 -0.73 0.00 0.00 179.01 178.99 1lr1 h GLU 27 N 0.00 0.00 0.05 1.92 4.39 -0.12 -3.30 114.58 117.52 1lr1 h GLU 27 Ca 0.15 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.58 1lr1 h GLU 27 Cb 0.86 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1lr1 h GLU 27 CO -0.00 0.55 -1.47 0.52 -1.16 0.00 0.00 179.01 177.44 1lr1 h MET 28 N -1.00 0.11 -0.99 2.33 2.86 0.71 -3.35 114.93 115.60 1lr1 h MET 28 Ca -0.06 -0.19 0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1lr1 h MET 28 Cb 0.66 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.32 1lr1 h MET 28 CO -0.03 1.09 0.63 1.25 1.06 0.00 0.00 176.91 180.91 1lr1 h LEU 29 N -0.60 0.97 -1.52 1.22 5.85 0.80 0.53 115.31 122.56 1lr1 h LEU 29 Ca -0.36 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1lr1 h LEU 29 Cb 1.57 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1lr1 h LEU 29 CO -0.09 0.58 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.26 1lr1 h GLU 30 N 1.07 0.00 0.12 1.25 4.81 -1.36 -1.80 114.58 118.68 1lr1 h GLU 30 Ca 0.45 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.34 1lr1 h GLU 30 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1lr1 h GLU 30 CO -0.21 0.25 -1.81 0.87 -0.73 0.00 0.00 179.01 177.38 1lr1 h LYS 31 N 0.00 0.26 0.00 1.92 1.79 -1.21 -3.11 116.57 116.22 1lr1 h LYS 31 Ca -0.00 -0.44 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1lr1 h LYS 31 Cb 0.45 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1lr1 h LYS 31 CO 0.03 1.12 -0.03 1.25 -1.08 0.00 0.00 179.45 180.74 1lr1 h LEU 32 N 0.07 0.00 0.00 2.94 5.85 0.14 0.27 115.31 124.58 1lr1 h LEU 32 Ca -0.35 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.15 1lr1 h LEU 32 Cb 2.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.04 1lr1 h LEU 32 CO 0.12 0.03 -1.24 1.05 -0.34 0.00 0.00 178.44 178.07 1lr1 h GLU 33 N 0.00 0.00 -0.28 1.25 -0.00 -1.41 -3.25 114.58 110.89 1lr1 h GLU 33 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 1lr1 h GLU 33 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 1lr1 h GLU 33 CO 0.00 0.69 -0.13 0.28 -0.00 0.00 0.00 179.01 179.86 1lr1 h VAL 34 N 0.00 1.29 -0.86 -1.06 2.07 -0.55 2.28 116.25 119.42 1lr1 h VAL 34 Ca -0.12 -1.21 0.16 0.00 0.82 0.00 0.00 66.70 66.34 1lr1 h VAL 34 Cb 1.79 1.48 -0.10 0.00 -1.52 0.00 0.00 31.29 32.95 1lr1 h VAL 34 CO 0.10 0.39 0.44 -0.37 0.02 0.00 0.00 177.57 178.14 1lr1 h VAL 35 N 0.33 0.69 0.00 2.57 -1.51 -0.78 0.50 116.25 118.06 1lr1 h VAL 35 Ca 0.06 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 1lr1 h VAL 35 Cb 0.64 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1lr1 h VAL 35 CO 0.04 0.11 -0.73 -0.37 -1.23 0.00 0.00 177.57 175.39 1lr1 h VAL 36 N 0.60 0.05 -0.92 7.19 -1.51 -1.52 -1.79 116.25 118.35 1lr1 h VAL 36 Ca 0.48 -1.09 0.06 0.00 -1.23 0.00 0.00 66.70 64.92 1lr1 h VAL 36 Cb 0.72 1.69 -0.06 0.00 -2.13 0.00 0.00 31.29 31.51 1lr1 h VAL 36 CO -0.38 0.03 0.58 -1.13 -1.23 0.00 0.00 177.57 175.44 1lr1 h ASN 37 N 0.00 0.93 0.17 4.19 -0.73 0.86 3.42 115.58 124.42 1lr1 h ASN 37 Ca -0.01 0.01 -0.29 0.00 1.87 0.00 0.00 56.30 57.88 1lr1 h ASN 37 Cb 1.04 -0.19 0.02 0.00 0.27 0.00 0.00 38.32 39.46 1lr1 h ASN 37 CO 0.00 0.60 -1.36 1.05 -0.37 0.00 0.00 177.43 177.36 1lr1 h GLU 38 N 1.07 0.37 0.32 6.67 4.11 -0.93 -3.26 114.58 122.94 1lr1 h GLU 38 Ca 0.39 -0.63 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 1lr1 h GLU 38 Cb 0.14 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1lr1 h GLU 38 CO -0.16 1.30 -0.16 0.00 0.07 0.00 0.00 179.01 180.06 1lr1 h ARG 39 N -0.12 -0.42 -1.06 1.06 -0.00 -0.76 0.39 114.38 113.47 1lr1 h ARG 39 Ca -0.26 0.03 0.32 0.00 -0.50 0.00 0.00 59.98 59.57 1lr1 h ARG 39 Cb 1.91 0.10 -0.13 0.00 0.00 0.00 0.00 29.97 31.84 1lr1 h ARG 39 CO 0.16 -0.10 0.64 0.00 0.00 0.00 0.00 179.97 180.67 1lr1 h ARG 40 N -0.94 0.33 0.17 0.04 2.47 0.62 1.95 114.38 119.03 1lr1 h ARG 40 Ca -0.04 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.40 1lr1 h ARG 40 Cb 0.52 -0.07 0.02 0.00 -1.65 0.00 0.00 29.97 28.78 1lr1 h ARG 40 CO 0.07 0.22 -1.15 0.93 0.56 0.00 0.00 179.97 180.60 1lr1 h GLU 41 N 0.34 0.37 0.12 0.04 5.08 -1.59 -3.19 114.58 115.75 1lr1 h GLU 41 Ca 0.71 -0.62 -0.26 0.00 -1.00 0.00 0.00 59.36 58.19 1lr1 h GLU 41 Cb 1.72 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1lr1 h GLU 41 CO -0.50 1.30 -1.27 0.93 -1.00 0.00 0.00 179.01 178.46 1lr1 h GLU 42 N -0.19 0.26 -0.13 2.33 4.39 0.50 -3.28 114.58 118.46 1lr1 h GLU 42 Ca -0.21 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1lr1 h GLU 42 Cb 1.84 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 1lr1 h GLU 42 CO 0.17 1.22 0.09 1.49 -1.16 0.00 0.00 179.01 180.82 1lr1 h GLU 43 N -0.31 0.17 -0.79 2.33 4.57 0.29 0.15 114.58 120.99 1lr1 h GLU 43 Ca -0.26 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.07 1lr1 h GLU 43 Cb 1.74 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 30.24 1lr1 h GLU 43 CO 0.08 0.11 0.53 0.66 -1.18 0.00 0.00 179.01 179.22 1lr1 h SER 44 N 0.18 0.38 -0.31 1.04 4.64 -1.57 0.34 113.55 118.26 1lr1 h SER 44 Ca 0.05 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1lr1 h SER 44 Cb -0.02 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1lr1 h SER 44 CO -0.01 0.19 -0.16 0.00 -0.87 0.00 0.00 176.83 175.98 1lr1 h ALA 45 N 1.64 0.43 -0.76 5.18 0.00 -1.23 0.10 119.26 124.62 1lr1 h ALA 45 Ca 0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1lr1 h ALA 45 Cb 0.94 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1lr1 h ALA 45 CO -0.13 0.34 0.38 0.00 0.00 0.00 0.00 179.25 179.84 1lr1 h ALA 46 N 0.76 0.98 -0.09 0.00 0.00 0.23 -1.20 119.26 119.93 1lr1 h ALA 46 Ca 0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1lr1 h ALA 46 Cb 0.68 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1lr1 h ALA 46 CO 0.05 0.52 -0.43 0.00 0.00 0.00 0.00 179.25 179.39 1lr1 h ALA 47 N 1.20 0.17 -0.32 0.00 0.00 -0.76 -2.75 119.26 116.79 1lr1 h ALA 47 Ca 0.26 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1lr1 h ALA 47 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1lr1 h ALA 47 CO -0.04 0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.70 1lr1 h ALA 48 N 0.46 0.41 -0.46 0.00 0.00 -0.88 -3.03 119.26 115.76 1lr1 h ALA 48 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1lr1 h ALA 48 Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1lr1 h ALA 48 CO 0.09 -0.07 0.14 1.05 0.00 0.00 0.00 179.25 180.46 1lr1 h GLU 49 N 0.41 0.71 0.00 0.00 4.11 -1.31 -3.46 114.58 115.04 1lr1 h GLU 49 Ca 0.11 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1lr1 h GLU 49 Cb 0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1lr1 h GLU 49 CO -0.02 0.69 0.00 0.28 0.07 0.00 0.00 179.01 180.03 1lr1 n VAL 50 N -4.53 0.00 0.00 -1.06 0.31 -1.04 -4.72 118.33 107.29 1lr1 n VAL 50 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1lr1 n VAL 50 Cb 0.19 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1lr1 n VAL 50 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1lr1 n GLU 51 N 0.00 0.00 -0.00 5.55 2.13 -1.26 -4.65 120.64 122.41 1lr1 n GLU 51 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1lr1 n GLU 51 Cb 0.00 -0.52 -0.06 0.00 0.27 0.00 0.00 31.44 31.14 1lr1 n GLU 51 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1lr1 h GLU 52 N 0.00 0.12 -0.45 5.31 4.39 -1.98 -2.98 114.58 118.98 1lr1 h GLU 52 Ca 0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1lr1 h GLU 52 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1lr1 h GLU 52 CO 0.00 0.12 -0.13 0.00 -1.16 0.00 0.00 179.01 177.85 1lr1 h ARG 53 N 0.07 0.88 -6.82 2.33 2.47 -1.91 -3.44 114.38 107.97 1lr1 h ARG 53 Ca 0.03 -0.35 -0.53 0.00 -1.26 0.00 0.00 59.98 57.88 1lr1 h ARG 53 Cb 0.04 -0.05 0.07 0.00 -1.65 0.00 0.00 29.97 28.39 1lr1 h ARG 53 CO -0.01 0.99 0.76 0.95 0.56 0.00 0.00 179.97 183.22 1lr1 s THR 54 N -4.77 2.46 0.05 2.04 -4.23 -1.13 -4.94 115.64 105.13 1lr1 s THR 54 Ca -0.12 0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 60.56 1lr1 s THR 54 Cb 0.11 -3.27 -0.17 0.00 1.34 0.00 0.00 72.50 70.52 1lr1 s THR 54 CO 0.84 0.08 1.55 0.03 -0.54 0.00 0.00 174.62 176.58 1lr1 h ARG 55 N 4.29 -0.07 -6.03 3.99 -0.00 -1.85 -3.47 114.38 111.24 1lr1 h ARG 55 Ca -0.48 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 58.60 1lr1 h ARG 55 Cb 1.22 0.02 0.06 0.00 0.00 0.00 0.00 29.97 31.27 1lr1 h ARG 55 CO 0.73 0.12 -0.79 1.17 0.00 0.00 0.00 179.97 181.20 1lr1 n LYS 56 N -5.04 -5.57 0.00 0.04 4.81 -1.26 -5.11 118.16 106.04 1lr1 n LYS 56 Ca -0.08 0.67 0.01 0.00 -0.87 0.00 0.00 58.31 58.05 1lr1 n LYS 56 Cb 0.13 -5.41 0.08 0.00 0.02 0.00 0.00 35.03 29.86 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85