#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 4.33 4.81 -2.04 -2.39 114.58 119.29 1lr1 h GLU 2 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1lr1 h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1lr1 h GLU 2 CO 0.00 0.61 -0.15 0.00 -0.73 0.00 0.00 179.01 178.74 1lr1 h ALA 3 N 1.39 0.96 0.11 2.92 0.00 -2.00 0.47 119.26 123.11 1lr1 h ALA 3 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 1lr1 h ALA 3 Cb 1.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1lr1 h ALA 3 CO 0.08 0.19 -1.17 -0.07 0.00 0.00 0.00 179.25 178.27 1lr1 h LEU 4 N 0.00 0.38 0.00 0.00 4.07 -1.98 -3.36 115.31 114.43 1lr1 h LEU 4 Ca -0.00 -0.87 -0.11 0.00 0.08 0.00 0.00 57.88 56.98 1lr1 h LEU 4 Cb 0.85 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 1lr1 h LEU 4 CO 0.02 1.52 -0.51 0.50 -1.08 0.00 0.00 178.44 178.89 1lr1 h LYS 5 N -0.38 0.00 0.22 1.13 1.63 -1.39 0.27 116.57 118.06 1lr1 h LYS 5 Ca -0.25 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1lr1 h LYS 5 Cb 1.68 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.28 1lr1 h LYS 5 CO 0.07 0.50 -0.37 0.97 -3.45 0.00 0.00 179.45 177.17 1lr1 h ILE 6 N 0.00 0.24 0.00 2.00 -0.00 -0.19 -2.04 117.51 117.52 1lr1 h ILE 6 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.85 1lr1 h ILE 6 Cb 1.39 0.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 1lr1 h ILE 6 CO 0.06 0.00 -0.65 0.00 -0.00 0.00 0.00 178.15 177.56 1lr1 n LEU 7 N -5.46 0.59 -2.44 2.19 -0.00 -1.25 -4.85 117.00 105.79 1lr1 n LEU 7 Ca -0.08 -0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.75 1lr1 n LEU 7 Cb 0.36 -0.19 0.03 0.00 -0.00 0.00 0.00 43.42 43.62 1lr1 n LEU 7 CO 0.24 0.09 -0.01 -3.20 -0.00 0.00 0.00 177.39 174.51 1lr1 n ASN 8 N -1.69 -5.23 -1.94 1.45 2.85 0.48 -4.59 115.26 106.59 1lr1 n ASN 8 Ca 0.04 -0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1lr1 n ASN 8 Cb 0.37 -4.09 0.00 0.00 1.24 0.00 0.00 39.78 37.31 1lr1 n ASN 8 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1lr1 n ASN 9 N -1.65 -9.29 0.09 1.20 5.03 0.66 -4.09 115.26 107.22 1lr1 n ASN 9 Ca -0.10 1.39 0.18 0.00 0.87 0.00 0.00 54.58 56.92 1lr1 n ASN 9 Cb 0.60 -5.13 0.72 0.00 -1.02 0.00 0.00 39.78 34.94 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 3.23 0.69 0.20 2.41 -2.65 -1.91 -1.27 117.51 118.21 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 0.79 -0.01 0.00 -2.05 0.00 0.00 36.82 35.55 1lr1 h ILE 10 CO 0.00 0.00 -0.16 0.08 0.03 0.00 0.00 178.15 178.10 1lr1 h ARG 11 N 0.00 -0.35 -0.07 0.16 0.11 -1.96 0.15 114.38 112.41 1lr1 h ARG 11 Ca 0.17 0.02 -0.17 0.00 0.10 0.00 0.00 59.98 60.11 1lr1 h ARG 11 Cb 0.75 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 1lr1 h ARG 11 CO -0.00 -0.24 -0.70 1.15 0.10 0.00 0.00 179.97 180.29 1lr1 h THR 12 N -0.37 1.39 0.90 0.08 2.02 -1.59 -3.32 112.91 112.02 1lr1 h THR 12 Ca -0.01 -2.12 -0.04 0.00 0.77 0.00 0.00 66.41 65.00 1lr1 h THR 12 Cb 0.33 2.10 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1lr1 h THR 12 CO -0.01 0.63 -0.43 0.25 0.37 0.00 0.00 175.52 176.33 1lr1 h LEU 13 N 0.23 -1.02 -1.41 2.58 5.85 -0.99 -1.35 115.31 119.20 1lr1 h LEU 13 Ca -0.02 0.04 0.21 0.00 0.84 0.00 0.00 57.88 58.94 1lr1 h LEU 13 Cb 1.25 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1lr1 h LEU 13 CO 0.11 -0.68 0.87 -0.09 -0.34 0.00 0.00 178.44 178.32 1lr1 h ARG 14 N -1.31 0.00 0.00 1.25 2.43 -0.82 0.76 114.38 116.69 1lr1 h ARG 14 Ca -0.12 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 1lr1 h ARG 14 Cb 0.93 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1lr1 h ARG 14 CO 0.20 0.00 -0.78 0.00 -1.51 0.00 0.00 179.97 177.88 1lr1 h ALA 15 N 0.92 0.16 -0.18 2.80 0.00 -1.60 -0.99 119.26 120.38 1lr1 h ALA 15 Ca 0.34 -0.94 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1lr1 h ALA 15 Cb 2.08 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 1lr1 h ALA 15 CO -0.00 0.44 -0.22 -0.56 0.00 0.00 0.00 179.25 178.91 1lr1 h GLN 16 N -1.00 0.31 0.00 0.00 3.07 0.33 -2.13 115.11 115.69 1lr1 h GLN 16 Ca -0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.41 1lr1 h GLN 16 Cb 1.18 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 1lr1 h GLN 16 CO -0.13 0.52 -0.69 0.00 0.09 0.00 0.00 178.83 178.62 1lr1 h ALA 17 N 1.49 0.67 -1.57 0.06 0.00 0.25 -3.34 119.26 116.83 1lr1 h ALA 17 Ca 0.05 -0.06 0.46 0.00 0.00 0.00 0.00 54.91 55.35 1lr1 h ALA 17 Cb 0.55 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1lr1 h ALA 17 CO 0.04 0.07 1.15 -0.09 0.00 0.00 0.00 179.25 180.42 1lr1 h ARG 18 N 0.00 0.00 -0.93 0.00 2.43 -0.46 1.05 114.38 116.47 1lr1 h ARG 18 Ca -0.01 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.52 1lr1 h ARG 18 Cb 1.04 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.27 1lr1 h ARG 18 CO 0.00 0.00 0.45 -0.85 -1.51 0.00 0.00 179.97 178.07 1lr1 n GLU 19 N -4.02 2.89 -0.78 0.20 0.28 -1.25 -4.98 120.64 112.99 1lr1 n GLU 19 Ca 0.35 -3.49 0.00 0.00 -0.16 0.00 0.00 57.16 53.85 1lr1 n GLU 19 Cb 1.64 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 32.23 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 -0.88 0.00 -4.96 -1.84 7.64 0.36 -5.15 113.62 108.79 1lr1 n SER 20 Ca 0.58 -0.66 -0.22 0.00 1.01 0.00 0.00 58.87 59.58 1lr1 n SER 20 Cb 0.76 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 -2.83 4.66 -0.07 0.44 2.01 -1.26 -4.96 115.64 113.63 1lr1 s THR 21 Ca 0.00 -0.73 0.22 0.00 0.31 0.00 0.00 61.69 61.49 1lr1 s THR 21 Cb 0.00 -3.67 0.22 0.00 0.01 0.00 0.00 72.50 69.06 1lr1 s THR 21 CO 0.00 -0.36 1.66 0.17 -0.69 0.00 0.00 174.62 175.40 1lr1 h LEU 22 N 0.82 0.00 -1.39 4.42 -0.00 -2.02 -2.84 115.31 114.30 1lr1 h LEU 22 Ca -0.49 0.00 0.39 0.00 -0.00 0.00 0.00 57.88 57.78 1lr1 h LEU 22 Cb 1.24 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.84 1lr1 h LEU 22 CO 0.58 0.00 1.27 1.05 -0.00 0.00 0.00 178.44 181.34 1lr1 h GLU 23 N 0.00 0.00 -0.82 0.17 4.11 -1.99 1.15 114.58 117.19 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 0.12 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 0.40 0.00 0.07 0.00 0.00 179.01 179.48 1lr1 h THR 24 N 0.00 0.72 -0.36 -1.06 1.03 -1.92 0.11 112.91 111.43 1lr1 h THR 24 Ca 0.63 -0.20 -0.09 0.00 -0.01 0.00 0.00 66.41 66.74 1lr1 h THR 24 Cb 3.16 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 70.32 1lr1 h THR 24 CO -0.01 0.11 -0.15 0.17 -0.01 0.00 0.00 175.52 175.63 1lr1 h LEU 25 N 0.58 0.75 -2.04 0.00 8.10 0.11 0.24 115.31 123.05 1lr1 h LEU 25 Ca 0.44 -0.40 0.11 0.00 0.11 0.00 0.00 57.88 58.15 1lr1 h LEU 25 Cb 0.63 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.63 1lr1 h LEU 25 CO -0.36 0.97 0.38 -0.08 -4.11 0.00 0.00 178.44 175.24 1lr1 h GLU 26 N 0.52 0.00 0.02 0.17 4.22 -0.88 4.67 114.58 123.30 1lr1 h GLU 26 Ca 0.08 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.42 1lr1 h GLU 26 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1lr1 h GLU 26 CO 0.05 0.00 -0.54 0.93 -2.18 0.00 0.00 179.01 177.27 1lr1 h GLU 27 N 0.00 0.05 0.00 1.92 5.08 0.07 -3.27 114.58 118.43 1lr1 h GLU 27 Ca 0.18 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 1lr1 h GLU 27 Cb 0.94 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1lr1 h GLU 27 CO -0.00 1.04 -1.19 0.52 -1.00 0.00 0.00 179.01 178.37 1lr1 h MET 28 N -0.88 0.00 -0.80 2.33 2.86 0.12 -3.33 114.93 115.22 1lr1 h MET 28 Ca -0.13 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1lr1 h MET 28 Cb 1.21 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 1lr1 h MET 28 CO -0.04 1.00 0.52 1.25 1.06 0.00 0.00 176.91 180.70 1lr1 h LEU 29 N -0.99 0.65 -0.85 1.22 5.85 0.90 0.84 115.31 122.93 1lr1 h LEU 29 Ca -0.33 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.29 1lr1 h LEU 29 Cb 1.29 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1lr1 h LEU 29 CO -0.20 0.38 -0.43 -0.08 -0.34 0.00 0.00 178.44 177.77 1lr1 h GLU 30 N 0.72 0.31 0.04 1.25 4.81 -1.43 -1.85 114.58 118.42 1lr1 h GLU 30 Ca 0.37 -0.16 -0.29 0.00 -0.13 0.00 0.00 59.36 59.15 1lr1 h GLU 30 Cb 0.47 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1lr1 h GLU 30 CO -0.14 0.69 -1.59 0.87 -0.73 0.00 0.00 179.01 178.10 1lr1 h LYS 31 N 0.26 0.08 0.00 1.92 1.79 -1.34 -3.01 116.57 116.26 1lr1 h LYS 31 Ca 0.02 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1lr1 h LYS 31 Cb 0.87 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1lr1 h LYS 31 CO 0.07 0.77 -0.13 1.25 -1.08 0.00 0.00 179.45 180.33 1lr1 h LEU 32 N 0.02 0.00 0.18 2.94 5.85 0.71 0.22 115.31 125.22 1lr1 h LEU 32 Ca -0.25 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.14 1lr1 h LEU 32 Cb 1.98 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.02 1lr1 h LEU 32 CO 0.10 0.13 -1.67 1.05 -0.34 0.00 0.00 178.44 177.71 1lr1 h GLU 33 N 0.00 0.37 -0.33 1.25 4.11 -1.40 -3.23 114.58 115.35 1lr1 h GLU 33 Ca -0.00 -0.64 -0.13 0.00 0.07 0.00 0.00 59.36 58.67 1lr1 h GLU 33 Cb 0.47 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1lr1 h GLU 33 CO 0.02 1.30 -0.31 -0.39 0.07 0.00 0.00 179.01 179.70 1lr1 h VAL 34 N 0.02 1.28 -0.39 -1.06 -1.51 -1.35 1.35 116.25 114.60 1lr1 h VAL 34 Ca -0.33 -1.44 0.05 0.00 -1.23 0.00 0.00 66.70 63.74 1lr1 h VAL 34 Cb 2.03 1.36 -0.05 0.00 -2.13 0.00 0.00 31.29 32.51 1lr1 h VAL 34 CO 0.16 0.47 0.12 1.62 -1.23 0.00 0.00 177.57 178.71 1lr1 h VAL 35 N 0.60 0.85 0.00 7.19 3.04 -0.71 -0.63 116.25 126.59 1lr1 h VAL 35 Ca 0.07 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 1lr1 h VAL 35 Cb 0.82 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1lr1 h VAL 35 CO 0.07 0.05 -0.38 1.62 -1.01 0.00 0.00 177.57 177.92 1lr1 h VAL 36 N 0.26 0.05 -0.93 1.51 3.04 -1.54 -3.25 116.25 115.41 1lr1 h VAL 36 Ca 0.18 -1.08 0.08 0.00 -1.01 0.00 0.00 66.70 64.88 1lr1 h VAL 36 Cb 0.19 1.86 -0.07 0.00 -2.01 0.00 0.00 31.29 31.26 1lr1 h VAL 36 CO -0.21 0.03 0.60 -1.13 -1.01 0.00 0.00 177.57 175.85 1lr1 h ASN 37 N 0.00 0.89 -0.26 3.17 -1.24 0.33 2.91 115.58 121.38 1lr1 h ASN 37 Ca -0.00 0.02 -0.15 0.00 0.71 0.00 0.00 56.30 56.88 1lr1 h ASN 37 Cb 1.03 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.91 1lr1 h ASN 37 CO 0.00 0.54 -0.42 -0.33 -1.29 0.00 0.00 177.43 175.94 1lr1 h GLU 38 N 0.99 0.74 -0.00 6.67 4.39 -1.37 -2.77 114.58 123.24 1lr1 h GLU 38 Ca 0.42 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1lr1 h GLU 38 Cb 0.31 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1lr1 h GLU 38 CO -0.18 1.08 -0.01 0.00 -1.16 0.00 0.00 179.01 178.74 1lr1 h ARG 39 N 0.48 0.01 -1.03 2.33 -0.00 -1.21 -1.67 114.38 113.28 1lr1 h ARG 39 Ca 0.02 -0.01 0.29 0.00 -0.50 0.00 0.00 59.98 59.78 1lr1 h ARG 39 Cb 1.01 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.86 1lr1 h ARG 39 CO 0.10 0.69 0.62 0.00 0.00 0.00 0.00 179.97 181.38 1lr1 h ARG 40 N -0.68 0.42 0.00 0.04 2.47 0.51 1.18 114.38 118.32 1lr1 h ARG 40 Ca -0.00 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 1lr1 h ARG 40 Cb 0.70 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1lr1 h ARG 40 CO 0.00 0.28 -0.64 0.93 0.56 0.00 0.00 179.97 181.10 1lr1 h GLU 41 N 0.43 0.00 0.14 0.04 5.08 -1.53 -3.33 114.58 115.41 1lr1 h GLU 41 Ca 0.67 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.68 1lr1 h GLU 41 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1lr1 h GLU 41 CO -0.48 0.52 -1.89 0.93 -1.00 0.00 0.00 179.01 177.09 1lr1 h GLU 42 N -1.00 0.30 -0.14 2.33 5.08 -1.12 -3.33 114.58 116.70 1lr1 h GLU 42 Ca -0.13 -0.50 -0.16 0.00 -1.00 0.00 0.00 59.36 57.57 1lr1 h GLU 42 Cb 0.80 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.25 1lr1 h GLU 42 CO -0.08 1.21 -0.53 0.93 -1.00 0.00 0.00 179.01 179.55 1lr1 h GLU 43 N 0.08 0.61 -0.68 2.33 4.39 0.11 -2.50 114.58 118.92 1lr1 h GLU 43 Ca -0.39 -0.46 0.13 0.00 0.34 0.00 0.00 59.36 58.98 1lr1 h GLU 43 Cb 2.06 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 30.75 1lr1 h GLU 43 CO 0.12 1.09 0.46 1.03 -1.16 0.00 0.00 179.01 180.54 1lr1 h SER 44 N 0.26 0.35 -0.52 1.42 0.87 -0.23 0.62 113.55 116.32 1lr1 h SER 44 Ca -0.03 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1lr1 h SER 44 Cb 1.16 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1lr1 h SER 44 CO 0.11 0.19 0.25 0.00 -0.53 0.00 0.00 176.83 176.85 1lr1 h ALA 45 N 1.67 0.67 -0.81 6.23 0.00 -1.61 0.12 119.26 125.54 1lr1 h ALA 45 Ca 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1lr1 h ALA 45 Cb 0.74 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1lr1 h ALA 45 CO -0.09 0.24 0.47 0.00 0.00 0.00 0.00 179.25 179.87 1lr1 h ALA 46 N 1.09 1.31 -0.37 0.00 0.00 0.56 -1.34 119.26 120.51 1lr1 h ALA 46 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1lr1 h ALA 46 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1lr1 h ALA 46 CO -0.02 0.58 0.09 0.00 0.00 0.00 0.00 179.25 179.90 1lr1 h ALA 47 N 1.40 0.48 -1.00 0.00 0.00 -0.16 -2.29 119.26 117.69 1lr1 h ALA 47 Ca 0.29 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lr1 h ALA 47 Cb -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1lr1 h ALA 47 CO -0.05 0.16 0.66 0.00 0.00 0.00 0.00 179.25 180.01 1lr1 h ALA 48 N 0.93 1.32 -0.60 0.00 0.00 -0.46 -1.81 119.26 118.63 1lr1 h ALA 48 Ca 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1lr1 h ALA 48 Cb 0.30 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1lr1 h ALA 48 CO 0.00 0.58 0.37 1.49 0.00 0.00 0.00 179.25 181.69 1lr1 h GLU 49 N 1.29 0.72 0.00 0.00 4.57 -0.95 -3.45 114.58 116.76 1lr1 h GLU 49 Ca 0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1lr1 h GLU 49 Cb -0.03 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1lr1 h GLU 49 CO -0.12 0.48 0.00 0.28 -1.18 0.00 0.00 179.01 178.47 1lr1 n VAL 50 N -4.72 0.00 -4.90 0.32 0.31 -0.68 -4.93 118.33 103.73 1lr1 n VAL 50 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1lr1 n VAL 50 Cb 0.07 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1lr1 n VAL 50 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1lr1 n GLU 51 N 0.00 0.00 -1.67 5.55 1.02 -1.26 -5.01 120.64 119.27 1lr1 n GLU 51 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1lr1 n GLU 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1lr1 n GLU 51 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1lr1 n GLU 52 N 7.01 -4.67 0.00 3.49 2.13 -1.26 -4.48 120.64 122.86 1lr1 n GLU 52 Ca 0.00 3.38 0.00 0.00 0.66 0.00 0.00 57.16 61.20 1lr1 n GLU 52 Cb 0.00 -3.73 0.00 0.00 0.27 0.00 0.00 31.44 27.98 1lr1 n GLU 52 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1lr1 n ARG 53 N 0.28 0.00 -1.69 5.31 1.74 -1.26 -4.93 116.66 116.12 1lr1 n ARG 53 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 1lr1 n ARG 53 Cb 0.00 -0.18 -0.03 0.00 -1.02 0.00 0.00 32.46 31.24 1lr1 n ARG 53 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1lr1 n THR 54 N 0.00 0.77 0.00 0.55 -2.24 -1.26 -4.99 114.28 107.10 1lr1 n THR 54 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1lr1 n THR 54 Cb 0.00 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 1lr1 n THR 54 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lr1 n ARG 55 N 2.35 3.25 -0.24 -0.78 3.00 -1.26 -4.84 116.66 118.15 1lr1 n ARG 55 Ca 0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.90 1lr1 n ARG 55 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.82 1lr1 n ARG 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1lr1 h LYS 56 N 0.00 0.93 0.00 5.56 3.64 -2.05 -3.51 116.57 121.14 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 0.70 0.00 -0.11 -2.27 0.00 0.00 179.45 177.77