#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 0.24 0.00 4.33 4.57 -2.03 -1.98 114.58 119.71 1lr1 h GLU 2 Ca 0.00 -0.40 -0.11 0.00 -1.18 0.00 0.00 59.36 57.67 1lr1 h GLU 2 Cb 0.00 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1lr1 h GLU 2 CO 0.00 1.11 -0.51 0.00 -1.18 0.00 0.00 179.01 178.44 1lr1 h ALA 3 N 0.55 0.87 0.11 2.92 0.00 -2.01 0.30 119.26 122.01 1lr1 h ALA 3 Ca -0.21 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.01 1lr1 h ALA 3 Cb 1.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1lr1 h ALA 3 CO 0.17 0.63 -1.16 -0.07 0.00 0.00 0.00 179.25 178.82 1lr1 h LEU 4 N 0.00 0.37 -0.06 0.00 4.07 -2.00 -3.36 115.31 114.34 1lr1 h LEU 4 Ca -0.01 -0.87 -0.12 0.00 0.08 0.00 0.00 57.88 56.96 1lr1 h LEU 4 Cb 1.10 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 1lr1 h LEU 4 CO 0.07 1.52 -0.59 0.50 -1.08 0.00 0.00 178.44 178.85 1lr1 h LYS 5 N -0.39 0.00 -0.55 1.13 1.63 -1.38 0.54 116.57 117.54 1lr1 h LYS 5 Ca -0.24 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.63 1lr1 h LYS 5 Cb 1.67 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.24 1lr1 h LYS 5 CO 0.07 0.59 0.21 0.97 -3.45 0.00 0.00 179.45 177.84 1lr1 h ILE 6 N 0.00 0.82 0.00 2.00 2.10 -0.54 -2.54 117.51 119.34 1lr1 h ILE 6 Ca -0.01 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1lr1 h ILE 6 Cb 1.43 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 1lr1 h ILE 6 CO 0.08 0.07 -0.88 0.00 -1.08 0.00 0.00 178.15 176.34 1lr1 n LEU 7 N -4.99 0.62 -1.55 2.19 -0.00 -1.24 -4.91 117.00 107.12 1lr1 n LEU 7 Ca 0.07 -0.42 -0.13 0.00 -0.00 0.00 0.00 56.01 55.52 1lr1 n LEU 7 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1lr1 n LEU 7 CO 0.24 0.15 -0.15 0.59 -0.00 0.00 0.00 177.39 178.22 1lr1 n ASN 8 N -1.47 -4.14 -1.80 1.45 3.02 0.16 -4.60 115.26 107.88 1lr1 n ASN 8 Ca 0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1lr1 n ASN 8 Cb 0.27 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 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 -0.56 -8.83 0.26 6.41 5.03 0.26 -4.02 115.26 113.81 1lr1 n ASN 9 Ca -0.15 1.26 0.18 0.00 0.87 0.00 0.00 54.58 56.74 1lr1 n ASN 9 Cb 0.61 -4.68 0.87 0.00 -1.02 0.00 0.00 39.78 35.56 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 3.17 0.20 0.36 2.41 -2.65 -1.91 -1.38 117.51 117.70 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 0.76 0.00 0.00 -2.05 0.00 0.00 36.82 35.53 1lr1 h ILE 10 CO 0.00 0.00 -0.17 0.08 0.03 0.00 0.00 178.15 178.09 1lr1 h ARG 11 N 0.00 -0.46 -0.06 0.16 0.11 -1.95 0.16 114.38 112.33 1lr1 h ARG 11 Ca 0.06 0.03 -0.22 0.00 0.10 0.00 0.00 59.98 59.95 1lr1 h ARG 11 Cb 0.59 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1lr1 h ARG 11 CO -0.00 -0.21 -0.85 1.79 0.10 0.00 0.00 179.97 180.80 1lr1 h THR 12 N -0.66 1.35 0.19 0.08 1.35 -1.58 -3.28 112.91 110.35 1lr1 h THR 12 Ca -0.05 -2.22 -0.01 0.00 -0.55 0.00 0.00 66.41 63.59 1lr1 h THR 12 Cb 0.47 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1lr1 h THR 12 CO 0.08 0.67 -0.09 0.25 -0.25 0.00 0.00 175.52 176.19 1lr1 h LEU 13 N 0.34 -0.21 -1.68 3.87 6.46 -1.28 -0.46 115.31 122.35 1lr1 h LEU 13 Ca -0.07 0.00 0.35 0.00 -0.12 0.00 0.00 57.88 58.04 1lr1 h LEU 13 Cb 1.47 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 41.38 1lr1 h LEU 13 CO 0.16 -0.14 0.83 -0.09 -0.62 0.00 0.00 178.44 178.57 1lr1 h ARG 14 N -0.26 0.15 0.01 1.25 9.65 -0.75 0.74 114.38 125.17 1lr1 h ARG 14 Ca -0.03 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 1lr1 h ARG 14 Cb 0.20 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1lr1 h ARG 14 CO 0.04 0.10 -0.55 0.00 2.80 0.00 0.00 179.97 182.36 1lr1 h ALA 15 N 1.49 0.10 -0.27 2.80 0.00 -1.48 -0.18 119.26 121.72 1lr1 h ALA 15 Ca 0.64 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1lr1 h ALA 15 Cb 2.14 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 20.21 1lr1 h ALA 15 CO -0.17 0.31 -0.09 -0.56 0.00 0.00 0.00 179.25 178.73 1lr1 h GLN 16 N -0.95 0.44 0.00 0.00 3.07 -0.02 -1.99 115.11 115.66 1lr1 h GLN 16 Ca -0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 58.65 58.46 1lr1 h GLN 16 Cb 1.17 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.67 1lr1 h GLN 16 CO -0.07 0.54 -0.73 0.00 0.09 0.00 0.00 178.83 178.66 1lr1 h ALA 17 N 1.50 0.67 -1.65 0.06 0.00 0.31 -3.34 119.26 116.81 1lr1 h ALA 17 Ca 0.08 -0.12 0.48 0.00 0.00 0.00 0.00 54.91 55.35 1lr1 h ALA 17 Cb 0.42 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1lr1 h ALA 17 CO 0.02 0.14 1.21 -0.09 0.00 0.00 0.00 179.25 180.53 1lr1 h ARG 18 N 0.00 0.00 -1.23 0.00 2.43 -0.22 1.05 114.38 116.41 1lr1 h ARG 18 Ca -0.02 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.48 1lr1 h ARG 18 Cb 1.09 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.32 1lr1 h ARG 18 CO 0.01 0.00 0.50 0.39 -1.51 0.00 0.00 179.97 179.36 1lr1 n GLU 19 N -3.99 2.92 0.00 0.20 1.02 -1.25 -4.95 120.64 114.58 1lr1 n GLU 19 Ca 0.37 -3.59 0.00 0.00 -0.02 0.00 0.00 57.16 53.92 1lr1 n GLU 19 Cb 1.72 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1lr1 n SER 20 N -0.76 1.96 -4.35 1.62 7.64 0.36 -5.14 113.62 114.95 1lr1 n SER 20 Ca 0.56 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.25 1lr1 n SER 20 Cb 0.61 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.31 1.76 0.05 0.44 2.01 -1.26 -5.01 115.64 113.32 1lr1 s THR 21 Ca 0.00 -2.21 0.25 0.00 0.31 0.00 0.00 61.69 60.04 1lr1 s THR 21 Cb 0.00 -2.08 0.25 0.00 0.01 0.00 0.00 72.50 70.68 1lr1 s THR 21 CO 0.00 -0.57 1.75 0.17 -0.69 0.00 0.00 174.62 175.28 1lr1 h LEU 22 N 2.53 0.00 -1.52 4.42 -0.00 -2.02 -2.62 115.31 116.10 1lr1 h LEU 22 Ca -0.38 0.00 0.40 0.00 -0.00 0.00 0.00 57.88 57.89 1lr1 h LEU 22 Cb 1.22 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 1lr1 h LEU 22 CO 0.62 0.00 1.23 -0.08 -0.00 0.00 0.00 178.44 180.21 1lr1 h GLU 23 N 0.00 0.00 -0.78 0.17 4.81 -2.00 1.26 114.58 118.04 1lr1 h GLU 23 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1lr1 h GLU 23 Cb 0.14 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1lr1 h GLU 23 CO 0.00 0.00 0.44 0.00 -0.73 0.00 0.00 179.01 178.72 1lr1 h THR 24 N 0.00 0.93 -0.32 0.32 1.03 -1.90 -0.82 112.91 112.15 1lr1 h THR 24 Ca 0.65 -0.26 -0.07 0.00 -0.01 0.00 0.00 66.41 66.71 1lr1 h THR 24 Cb 3.10 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 70.26 1lr1 h THR 24 CO -0.01 0.14 -0.08 0.17 -0.01 0.00 0.00 175.52 175.74 1lr1 h LEU 25 N 0.77 0.62 -2.04 0.00 8.10 0.13 0.36 115.31 123.25 1lr1 h LEU 25 Ca 0.37 -0.36 0.12 0.00 0.11 0.00 0.00 57.88 58.11 1lr1 h LEU 25 Cb 0.31 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 1lr1 h LEU 25 CO -0.23 0.84 0.38 -0.08 -4.11 0.00 0.00 178.44 175.24 1lr1 h GLU 26 N 0.39 0.00 0.00 0.17 4.81 -1.27 3.88 114.58 122.56 1lr1 h GLU 26 Ca 0.08 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1lr1 h GLU 26 Cb 0.57 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1lr1 h GLU 26 CO 0.03 0.00 -0.45 1.49 -0.73 0.00 0.00 179.01 179.35 1lr1 h GLU 27 N 0.00 0.00 0.02 1.92 4.81 -0.29 -3.29 114.58 117.75 1lr1 h GLU 27 Ca 0.19 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.19 1lr1 h GLU 27 Cb 0.94 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1lr1 h GLU 27 CO -0.00 0.93 -1.26 0.52 -0.73 0.00 0.00 179.01 178.46 1lr1 h MET 28 N -1.00 0.05 -0.94 1.92 2.86 0.88 -3.33 114.93 115.38 1lr1 h MET 28 Ca -0.12 -0.09 0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1lr1 h MET 28 Cb 1.05 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 1lr1 h MET 28 CO -0.07 1.04 0.60 1.25 1.06 0.00 0.00 176.91 180.79 1lr1 h LEU 29 N -0.82 0.74 -1.23 1.22 5.85 0.72 0.76 115.31 122.55 1lr1 h LEU 29 Ca -0.33 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1lr1 h LEU 29 Cb 1.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1lr1 h LEU 29 CO -0.14 0.36 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.21 1lr1 h GLU 30 N 0.78 0.48 0.00 1.25 4.81 -1.46 -1.15 114.58 119.29 1lr1 h GLU 30 Ca 0.48 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1lr1 h GLU 30 Cb 0.70 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1lr1 h GLU 30 CO -0.24 0.54 -1.22 0.87 -0.73 0.00 0.00 179.01 178.22 1lr1 h LYS 31 N 0.46 0.00 0.00 1.92 1.79 -0.81 -2.91 116.57 117.02 1lr1 h LYS 31 Ca 0.10 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1lr1 h LYS 31 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1lr1 h LYS 31 CO 0.01 0.50 -0.32 1.25 -1.08 0.00 0.00 179.45 179.82 1lr1 h LEU 32 N 0.00 0.00 0.18 2.94 5.85 0.78 0.29 115.31 125.35 1lr1 h LEU 32 Ca -0.13 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.24 1lr1 h LEU 32 Cb 1.67 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.71 1lr1 h LEU 32 CO 0.07 0.32 -1.70 1.05 -0.34 0.00 0.00 178.44 177.83 1lr1 h GLU 33 N 0.00 0.37 -0.27 1.25 4.11 -1.27 -3.18 114.58 115.59 1lr1 h GLU 33 Ca -0.00 -0.64 -0.17 0.00 0.07 0.00 0.00 59.36 58.62 1lr1 h GLU 33 Cb 0.76 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1lr1 h GLU 33 CO 0.04 1.28 -0.51 -0.39 0.07 0.00 0.00 179.01 179.50 1lr1 h VAL 34 N 0.10 1.29 -0.43 -1.06 -1.51 -1.36 1.61 116.25 114.89 1lr1 h VAL 34 Ca -0.32 -1.71 0.06 0.00 -1.23 0.00 0.00 66.70 63.50 1lr1 h VAL 34 Cb 2.09 1.62 -0.05 0.00 -2.13 0.00 0.00 31.29 32.82 1lr1 h VAL 34 CO 0.18 0.55 0.14 1.62 -1.23 0.00 0.00 177.57 178.83 1lr1 h VAL 35 N 0.60 0.85 0.00 7.19 3.04 -0.55 -0.28 116.25 127.10 1lr1 h VAL 35 Ca 0.02 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1lr1 h VAL 35 Cb 1.09 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1lr1 h VAL 35 CO 0.11 0.05 -0.36 1.62 -1.01 0.00 0.00 177.57 177.98 1lr1 h VAL 36 N 0.30 0.00 -0.80 1.51 3.04 -1.51 -3.21 116.25 115.58 1lr1 h VAL 36 Ca 0.20 -0.93 0.13 0.00 -1.01 0.00 0.00 66.70 65.10 1lr1 h VAL 36 Cb 0.21 1.74 -0.09 0.00 -2.01 0.00 0.00 31.29 31.14 1lr1 h VAL 36 CO -0.22 0.00 0.40 -1.13 -1.01 0.00 0.00 177.57 175.61 1lr1 h ASN 37 N 0.00 0.47 -0.26 3.17 -0.73 0.42 3.55 115.58 122.20 1lr1 h ASN 37 Ca 0.00 0.09 -0.19 0.00 1.87 0.00 0.00 56.30 58.07 1lr1 h ASN 37 Cb 0.97 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.57 1lr1 h ASN 37 CO 0.00 0.21 -0.56 -0.33 -0.37 0.00 0.00 177.43 176.38 1lr1 h GLU 38 N 0.59 0.84 0.11 6.67 5.08 -1.48 -2.86 114.58 123.52 1lr1 h GLU 38 Ca 0.43 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1lr1 h GLU 38 Cb 0.58 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1lr1 h GLU 38 CO -0.35 1.18 -0.05 0.00 -1.00 0.00 0.00 179.01 178.79 1lr1 h ARG 39 N 0.60 -0.14 -1.00 2.33 -0.00 -0.85 0.17 114.38 115.50 1lr1 h ARG 39 Ca 0.00 0.01 0.25 0.00 -0.50 0.00 0.00 59.98 59.74 1lr1 h ARG 39 Cb 1.18 0.03 -0.13 0.00 0.00 0.00 0.00 29.97 31.05 1lr1 h ARG 39 CO 0.12 0.27 0.58 0.00 0.00 0.00 0.00 179.97 180.95 1lr1 h ARG 40 N -0.60 0.54 0.17 0.04 2.47 0.65 1.09 114.38 118.74 1lr1 h ARG 40 Ca -0.02 -0.03 -0.35 0.00 -1.26 0.00 0.00 59.98 58.32 1lr1 h ARG 40 Cb 0.48 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1lr1 h ARG 40 CO 0.02 0.36 -1.78 0.93 0.56 0.00 0.00 179.97 180.06 1lr1 h GLU 41 N 0.55 0.36 0.19 0.04 5.08 -1.47 -3.30 114.58 116.03 1lr1 h GLU 41 Ca 0.65 -0.62 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 1lr1 h GLU 41 Cb 1.25 0.23 0.03 0.00 0.50 0.00 0.00 28.75 30.76 1lr1 h GLU 41 CO -0.49 1.29 -1.18 0.93 -1.00 0.00 0.00 179.01 178.55 1lr1 h GLU 42 N 0.10 0.39 -0.28 2.33 4.39 0.06 -3.19 114.58 118.39 1lr1 h GLU 42 Ca -0.35 -0.67 0.02 0.00 0.34 0.00 0.00 59.36 58.70 1lr1 h GLU 42 Cb 2.09 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 30.96 1lr1 h GLU 42 CO 0.16 1.32 0.13 0.93 -1.16 0.00 0.00 179.01 180.40 1lr1 h GLU 43 N -0.14 0.27 -0.61 2.33 4.39 0.10 0.25 114.58 121.18 1lr1 h GLU 43 Ca -0.21 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.57 1lr1 h GLU 43 Cb 1.88 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.43 1lr1 h GLU 43 CO 0.19 0.18 0.41 0.77 -1.16 0.00 0.00 179.01 179.40 1lr1 h SER 44 N 0.28 0.35 -0.30 1.42 0.02 -1.66 0.13 113.55 113.79 1lr1 h SER 44 Ca 0.11 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1lr1 h SER 44 Cb 0.04 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1lr1 h SER 44 CO -0.08 0.21 -0.13 0.00 -1.14 0.00 0.00 176.83 175.68 1lr1 h ALA 45 N 1.69 0.42 -0.88 3.77 0.00 -0.94 -0.36 119.26 122.97 1lr1 h ALA 45 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1lr1 h ALA 45 Cb 0.60 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1lr1 h ALA 45 CO -0.08 0.30 0.50 0.00 0.00 0.00 0.00 179.25 179.97 1lr1 h ALA 46 N 0.76 1.22 -0.27 0.00 0.00 0.19 -0.47 119.26 120.70 1lr1 h ALA 46 Ca 0.07 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1lr1 h ALA 46 Cb 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1lr1 h ALA 46 CO 0.04 0.64 -0.58 0.00 0.00 0.00 0.00 179.25 179.35 1lr1 h ALA 47 N 1.33 0.46 -0.53 0.00 0.00 -0.89 -2.66 119.26 116.97 1lr1 h ALA 47 Ca 0.31 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1lr1 h ALA 47 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1lr1 h ALA 47 CO -0.05 0.68 0.06 0.00 0.00 0.00 0.00 179.25 179.94 1lr1 h ALA 48 N 0.69 0.71 -0.41 0.00 0.00 -0.68 -3.11 119.26 116.47 1lr1 h ALA 48 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1lr1 h ALA 48 Cb 1.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1lr1 h ALA 48 CO 0.13 0.48 -0.23 1.05 0.00 0.00 0.00 179.25 180.68 1lr1 h GLU 49 N 0.78 0.84 -2.51 0.00 4.11 -1.12 -3.28 114.58 113.40 1lr1 h GLU 49 Ca 0.16 -0.35 -0.29 0.00 0.07 0.00 0.00 59.36 58.95 1lr1 h GLU 49 Cb 0.45 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1lr1 h GLU 49 CO 0.02 0.98 0.96 1.33 0.07 0.00 0.00 179.01 182.37 1lr1 n VAL 50 N -4.11 2.84 0.00 -1.06 0.24 -1.00 -4.84 118.33 110.40 1lr1 n VAL 50 Ca 0.00 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 1lr1 n VAL 50 Cb 0.45 -2.08 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 1lr1 n VAL 50 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1lr1 n GLU 51 N 3.00 1.61 0.00 7.34 1.02 -1.24 -5.00 120.64 127.38 1lr1 n GLU 51 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1lr1 n GLU 51 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1lr1 n GLU 51 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1lr1 n GLU 52 N 0.00 0.00 0.00 3.49 0.28 -1.26 -5.05 120.64 118.10 1lr1 n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1lr1 n GLU 52 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1lr1 n GLU 52 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1lr1 n ARG 53 N 0.00 0.00 -2.33 3.44 1.74 -1.26 -4.70 116.66 113.55 1lr1 n ARG 53 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1lr1 n ARG 53 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1lr1 n ARG 53 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1lr1 s THR 54 N 0.00 3.40 0.30 0.55 -1.32 -1.26 -4.98 115.64 112.34 1lr1 s THR 54 Ca 0.00 1.23 -0.29 0.00 -1.21 0.00 0.00 61.69 61.41 1lr1 s THR 54 Cb 0.00 -3.78 -0.11 0.00 -1.51 0.00 0.00 72.50 67.10 1lr1 s THR 54 CO 0.00 0.22 1.47 -0.13 -2.21 0.00 0.00 174.62 173.97 1lr1 s ARG 55 N -0.58 4.20 0.00 7.08 1.81 -1.26 -4.86 118.95 125.34 1lr1 s ARG 55 Ca 0.52 2.43 -0.03 0.00 -1.72 0.00 0.00 55.73 56.93 1lr1 s ARG 55 Cb -0.34 -3.05 -0.13 0.00 -0.45 0.00 0.00 34.95 30.99 1lr1 s ARG 55 CO 0.39 -0.47 2.60 0.36 -0.68 0.00 0.00 175.30 177.51 1lr1 n LYS 56 N 1.62 1.37 -0.48 3.54 2.85 -1.26 -5.15 118.16 120.66 1lr1 n LYS 56 Ca 0.05 -0.47 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 1lr1 n LYS 56 Cb 0.39 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1lr1 n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24