#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 0.31 0.00 1.43 4.57 -2.03 -0.48 114.58 118.37 1lr1 h GLU 2 Ca 0.00 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 57.71 1lr1 h GLU 2 Cb 0.00 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1lr1 h GLU 2 CO 0.00 1.16 -0.19 0.00 -1.18 0.00 0.00 179.01 178.80 1lr1 h ALA 3 N 0.67 0.92 0.09 2.92 0.00 -2.00 0.26 119.26 122.11 1lr1 h ALA 3 Ca -0.11 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1lr1 h ALA 3 Cb 1.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1lr1 h ALA 3 CO 0.18 0.24 -1.19 -0.07 0.00 0.00 0.00 179.25 178.41 1lr1 h LEU 4 N 0.00 0.29 0.00 0.00 4.07 -1.99 -3.37 115.31 114.31 1lr1 h LEU 4 Ca -0.00 -0.82 -0.06 0.00 0.08 0.00 0.00 57.88 57.07 1lr1 h LEU 4 Cb 0.97 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1lr1 h LEU 4 CO 0.02 1.52 -0.47 0.50 -1.08 0.00 0.00 178.44 178.93 1lr1 h LYS 5 N -0.49 0.00 -0.11 1.13 1.63 -1.11 0.25 116.57 117.87 1lr1 h LYS 5 Ca -0.27 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.58 1lr1 h LYS 5 Cb 1.60 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.18 1lr1 h LYS 5 CO 0.02 0.23 -0.19 0.97 -3.45 0.00 0.00 179.45 177.03 1lr1 h ILE 6 N 0.00 0.52 0.00 2.00 2.10 -0.64 -2.37 117.51 119.12 1lr1 h ILE 6 Ca -0.02 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1lr1 h ILE 6 Cb 1.22 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 1lr1 h ILE 6 CO 0.03 0.00 -1.02 0.00 -1.08 0.00 0.00 178.15 176.08 1lr1 n LEU 7 N -5.33 0.94 -2.28 2.19 -0.00 -1.25 -4.89 117.00 106.39 1lr1 n LEU 7 Ca -0.03 -0.46 -0.18 0.00 -0.00 0.00 0.00 56.01 55.34 1lr1 n LEU 7 Cb 0.24 -0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.66 1lr1 n LEU 7 CO 0.21 0.24 -0.11 -3.20 -0.00 0.00 0.00 177.39 174.52 1lr1 n ASN 8 N -1.53 -5.27 -1.95 1.45 4.05 0.63 -4.56 115.26 108.08 1lr1 n ASN 8 Ca 0.04 -0.13 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1lr1 n ASN 8 Cb 0.34 -4.24 0.00 0.00 1.23 0.00 0.00 39.78 37.11 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 -1.59 -9.68 0.20 1.20 5.03 0.24 -3.84 115.26 106.83 1lr1 n ASN 9 Ca -0.15 1.40 0.18 0.00 0.87 0.00 0.00 54.58 56.88 1lr1 n ASN 9 Cb 0.63 -5.26 0.83 0.00 -1.02 0.00 0.00 39.78 34.97 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 3.28 0.35 0.25 2.41 -2.65 -1.91 0.20 117.51 119.44 1lr1 h ILE 10 Ca 0.00 0.00 -0.01 0.00 1.03 0.00 0.00 64.86 65.88 1lr1 h ILE 10 Cb 0.00 0.78 0.00 0.00 -2.05 0.00 0.00 36.82 35.55 1lr1 h ILE 10 CO 0.00 0.00 -0.12 0.08 0.03 0.00 0.00 178.15 178.14 1lr1 h ARG 11 N 0.00 -0.33 -0.06 0.16 0.11 -1.95 0.38 114.38 112.69 1lr1 h ARG 11 Ca 0.10 0.02 -0.21 0.00 0.10 0.00 0.00 59.98 59.99 1lr1 h ARG 11 Cb 0.63 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1lr1 h ARG 11 CO -0.00 -0.09 -0.81 1.15 0.10 0.00 0.00 179.97 180.32 1lr1 h THR 12 N -0.53 1.37 0.06 0.08 2.02 -1.52 -3.29 112.91 111.09 1lr1 h THR 12 Ca -0.03 -2.21 -0.00 0.00 0.77 0.00 0.00 66.41 64.93 1lr1 h THR 12 Cb 0.39 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1lr1 h THR 12 CO 0.06 0.67 -0.03 0.25 0.37 0.00 0.00 175.52 176.84 1lr1 h LEU 13 N 0.31 -0.07 -1.67 2.58 6.46 -0.95 -1.59 115.31 120.38 1lr1 h LEU 13 Ca -0.05 -0.17 0.35 0.00 -0.12 0.00 0.00 57.88 57.89 1lr1 h LEU 13 Cb 1.42 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 41.28 1lr1 h LEU 13 CO 0.14 0.13 0.83 -0.09 -0.62 0.00 0.00 178.44 178.83 1lr1 h ARG 14 N -0.26 0.15 0.00 1.25 9.65 -0.30 0.77 114.38 125.64 1lr1 h ARG 14 Ca -0.01 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1lr1 h ARG 14 Cb 0.23 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1lr1 h ARG 14 CO 0.01 0.10 -0.52 0.00 2.80 0.00 0.00 179.97 182.36 1lr1 h ALA 15 N 1.49 0.11 -0.36 2.80 0.00 -1.57 -0.25 119.26 121.47 1lr1 h ALA 15 Ca 0.65 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1lr1 h ALA 15 Cb 2.18 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 1lr1 h ALA 15 CO -0.19 0.29 0.02 -0.56 0.00 0.00 0.00 179.25 178.82 1lr1 h GLN 16 N -0.99 0.56 0.00 0.00 3.07 -0.27 -1.86 115.11 115.62 1lr1 h GLN 16 Ca -0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 58.65 58.47 1lr1 h GLN 16 Cb 1.14 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.61 1lr1 h GLN 16 CO -0.08 0.57 -0.70 0.00 0.09 0.00 0.00 178.83 178.70 1lr1 h ALA 17 N 1.49 0.67 -1.51 0.06 0.00 0.36 -3.33 119.26 117.01 1lr1 h ALA 17 Ca 0.12 -0.07 0.44 0.00 0.00 0.00 0.00 54.91 55.39 1lr1 h ALA 17 Cb 0.31 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1lr1 h ALA 17 CO 0.01 0.09 1.13 -0.09 0.00 0.00 0.00 179.25 180.38 1lr1 h ARG 18 N 0.00 0.00 -1.09 0.00 2.43 -0.15 1.04 114.38 116.61 1lr1 h ARG 18 Ca -0.01 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.49 1lr1 h ARG 18 Cb 1.05 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.29 1lr1 h ARG 18 CO 0.01 0.00 0.63 0.39 -1.51 0.00 0.00 179.97 179.48 1lr1 n GLU 19 N -3.98 2.84 0.00 0.20 -0.58 -1.25 -4.94 120.64 112.93 1lr1 n GLU 19 Ca 0.33 -3.47 0.00 0.00 -0.42 0.00 0.00 57.16 53.61 1lr1 n GLU 19 Cb 1.60 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 1lr1 n GLU 19 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1lr1 n SER 20 N -0.84 2.50 -4.41 1.62 7.64 0.36 -5.15 113.62 115.35 1lr1 n SER 20 Ca 0.59 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 60.26 1lr1 n SER 20 Cb 0.65 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.11 1.62 -0.07 0.44 2.01 -1.26 -5.01 115.64 113.26 1lr1 s THR 21 Ca 0.00 -2.13 0.24 0.00 0.31 0.00 0.00 61.69 60.11 1lr1 s THR 21 Cb 0.00 -2.40 0.24 0.00 0.01 0.00 0.00 72.50 70.35 1lr1 s THR 21 CO 0.00 -0.33 1.73 0.17 -0.69 0.00 0.00 174.62 175.49 1lr1 h LEU 22 N 2.32 0.00 -1.07 4.42 -0.00 -2.02 -2.72 115.31 116.24 1lr1 h LEU 22 Ca -0.40 0.00 0.24 0.00 -0.00 0.00 0.00 57.88 57.73 1lr1 h LEU 22 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.86 1lr1 h LEU 22 CO 0.66 0.00 1.09 1.05 -0.00 0.00 0.00 178.44 181.24 1lr1 h GLU 23 N 0.00 0.00 -0.97 0.17 4.11 -2.00 1.25 114.58 117.15 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 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1lr1 h GLU 23 CO 0.00 0.00 0.61 1.15 0.07 0.00 0.00 179.01 180.84 1lr1 h THR 24 N 0.00 0.86 -0.07 -1.06 2.02 -1.92 -0.39 112.91 112.36 1lr1 h THR 24 Ca 0.40 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1lr1 h THR 24 Cb 2.57 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1lr1 h THR 24 CO -0.00 0.16 -0.18 0.17 0.37 0.00 0.00 175.52 176.03 1lr1 h LEU 25 N 0.86 0.28 -2.27 2.58 8.10 0.13 0.53 115.31 125.51 1lr1 h LEU 25 Ca 0.49 -0.60 0.04 0.00 0.11 0.00 0.00 57.88 57.93 1lr1 h LEU 25 Cb 0.63 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1lr1 h LEU 25 CO -0.26 0.82 0.22 1.05 -4.11 0.00 0.00 178.44 176.16 1lr1 h GLU 26 N -0.26 0.00 0.00 0.17 4.11 -1.42 3.38 114.58 120.56 1lr1 h GLU 26 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1lr1 h GLU 26 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1lr1 h GLU 26 CO 0.04 0.00 -0.34 1.49 0.07 0.00 0.00 179.01 180.26 1lr1 h GLU 27 N 0.00 0.00 0.04 1.06 4.81 -0.75 -3.31 114.58 116.43 1lr1 h GLU 27 Ca 0.07 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.03 1lr1 h GLU 27 Cb 0.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1lr1 h GLU 27 CO -0.00 0.57 -1.44 0.52 -0.73 0.00 0.00 179.01 177.93 1lr1 h MET 28 N -1.00 0.09 -0.87 1.92 2.86 0.10 -3.34 114.93 114.69 1lr1 h MET 28 Ca -0.07 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1lr1 h MET 28 Cb 0.71 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.35 1lr1 h MET 28 CO -0.04 1.07 0.51 1.25 1.06 0.00 0.00 176.91 180.75 1lr1 h LEU 29 N -0.67 0.73 -1.61 1.22 5.85 0.61 0.76 115.31 122.19 1lr1 h LEU 29 Ca -0.36 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1lr1 h LEU 29 Cb 1.52 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1lr1 h LEU 29 CO -0.11 0.41 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.29 1lr1 h GLU 30 N 0.83 0.21 0.03 1.25 4.81 -1.34 0.34 114.58 120.71 1lr1 h GLU 30 Ca 0.42 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 59.33 1lr1 h GLU 30 Cb 0.40 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1lr1 h GLU 30 CO -0.25 0.26 -1.60 0.87 -0.73 0.00 0.00 179.01 177.55 1lr1 h LYS 31 N 0.20 0.07 0.00 1.92 1.79 -1.14 -2.95 116.57 116.47 1lr1 h LYS 31 Ca 0.05 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1lr1 h LYS 31 Cb 0.19 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1lr1 h LYS 31 CO 0.01 0.75 -0.19 1.25 -1.08 0.00 0.00 179.45 180.18 1lr1 h LEU 32 N 0.02 0.00 0.18 2.94 5.85 0.91 0.20 115.31 125.41 1lr1 h LEU 32 Ca -0.25 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.13 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 0.19 -1.67 1.05 -0.34 0.00 0.00 178.44 177.77 1lr1 h GLU 33 N 0.00 0.38 -0.29 1.25 4.11 -1.01 -3.21 114.58 115.80 1lr1 h GLU 33 Ca -0.00 -0.65 -0.13 0.00 0.07 0.00 0.00 59.36 58.65 1lr1 h GLU 33 Cb 0.60 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1lr1 h GLU 33 CO 0.02 1.28 -0.37 -0.39 0.07 0.00 0.00 179.01 179.63 1lr1 h VAL 34 N 0.10 1.29 -0.14 -1.06 -1.51 -1.29 1.20 116.25 114.84 1lr1 h VAL 34 Ca -0.31 -1.52 0.04 0.00 -1.23 0.00 0.00 66.70 63.67 1lr1 h VAL 34 Cb 2.09 1.46 -0.04 0.00 -2.13 0.00 0.00 31.29 32.67 1lr1 h VAL 34 CO 0.19 0.49 -0.09 -0.37 -1.23 0.00 0.00 177.57 176.56 1lr1 h VAL 35 N 0.56 0.74 0.00 7.19 -1.51 -0.72 -0.68 116.25 121.82 1lr1 h VAL 35 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1lr1 h VAL 35 Cb 0.89 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1lr1 h VAL 35 CO 0.08 0.00 0.00 1.62 -1.23 0.00 0.00 177.57 178.04 1lr1 h VAL 36 N -0.09 0.00 -0.24 7.19 3.04 -1.53 -3.04 116.25 121.58 1lr1 h VAL 36 Ca 0.08 -0.88 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1lr1 h VAL 36 Cb 0.21 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1lr1 h VAL 36 CO -0.19 0.00 0.14 -1.13 -1.01 0.00 0.00 177.57 175.38 1lr1 h ASN 37 N 0.00 0.30 -0.42 3.17 -1.24 0.29 4.79 115.58 122.47 1lr1 h ASN 37 Ca 0.00 -0.07 -0.10 0.00 0.71 0.00 0.00 56.30 56.85 1lr1 h ASN 37 Cb 0.92 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 1lr1 h ASN 37 CO 0.00 0.28 -0.12 -0.33 -1.29 0.00 0.00 177.43 175.97 1lr1 h GLU 38 N 0.30 0.82 0.00 6.67 4.39 -1.34 -2.54 114.58 122.87 1lr1 h GLU 38 Ca 0.09 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 1lr1 h GLU 38 Cb 0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1lr1 h GLU 38 CO -0.02 0.95 -0.41 0.00 -1.16 0.00 0.00 179.01 178.37 1lr1 h ARG 39 N 0.64 0.00 -0.38 2.33 -0.00 -1.34 -0.41 114.38 115.23 1lr1 h ARG 39 Ca 0.10 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.51 1lr1 h ARG 39 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.61 1lr1 h ARG 39 CO 0.05 0.41 -0.04 0.00 0.00 0.00 0.00 179.97 180.38 1lr1 h ARG 40 N 0.00 0.69 0.00 0.04 2.47 0.98 0.46 114.38 119.03 1lr1 h ARG 40 Ca -0.00 -0.24 -0.17 0.00 -1.26 0.00 0.00 59.98 58.30 1lr1 h ARG 40 Cb 0.91 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 1lr1 h ARG 40 CO 0.05 0.81 -1.08 1.05 0.56 0.00 0.00 179.97 181.37 1lr1 h GLU 41 N 0.50 0.00 0.20 0.04 4.11 -1.42 -3.24 114.58 114.77 1lr1 h GLU 41 Ca 0.10 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.19 1lr1 h GLU 41 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1lr1 h GLU 41 CO 0.03 0.52 -1.64 1.49 0.07 0.00 0.00 179.01 179.48 1lr1 h GLU 42 N 0.00 0.43 -0.19 1.06 4.57 -1.02 -3.22 114.58 116.21 1lr1 h GLU 42 Ca -0.10 -0.74 -0.01 0.00 -1.18 0.00 0.00 59.36 57.34 1lr1 h GLU 42 Cb 1.61 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 30.47 1lr1 h GLU 42 CO 0.07 1.34 0.09 0.93 -1.18 0.00 0.00 179.01 180.27 1lr1 h GLU 43 N 0.12 0.28 -0.68 1.92 4.39 -0.22 0.11 114.58 120.51 1lr1 h GLU 43 Ca -0.30 -0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.49 1lr1 h GLU 43 Cb 2.12 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.68 1lr1 h GLU 43 CO 0.21 0.31 0.46 1.03 -1.16 0.00 0.00 179.01 179.86 1lr1 h SER 44 N 0.18 0.31 -0.19 1.42 0.87 -1.70 0.31 113.55 114.75 1lr1 h SER 44 Ca 0.07 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1lr1 h SER 44 Cb 0.13 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1lr1 h SER 44 CO -0.01 0.17 -0.10 0.00 -0.53 0.00 0.00 176.83 176.36 1lr1 h ALA 45 N 1.67 0.27 -0.76 6.23 0.00 -1.26 -2.09 119.26 123.32 1lr1 h ALA 45 Ca 0.33 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1lr1 h ALA 45 Cb 0.80 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1lr1 h ALA 45 CO -0.09 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.54 1lr1 h ALA 46 N 0.68 1.05 -0.10 0.00 0.00 0.18 0.74 119.26 121.81 1lr1 h ALA 46 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1lr1 h ALA 46 Cb 0.60 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1lr1 h ALA 46 CO 0.03 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.98 1lr1 h ALA 47 N 1.18 0.13 -0.45 0.00 0.00 -0.48 -0.87 119.26 118.77 1lr1 h ALA 47 Ca 0.25 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1lr1 h ALA 47 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1lr1 h ALA 47 CO -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 179.25 178.87 1lr1 h ALA 48 N 0.90 1.04 -0.21 0.00 0.00 -1.23 -3.03 119.26 116.73 1lr1 h ALA 48 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1lr1 h ALA 48 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1lr1 h ALA 48 CO -0.00 0.59 0.13 1.49 0.00 0.00 0.00 179.25 181.46 1lr1 h GLU 49 N 0.72 0.28 -4.61 0.00 4.81 -0.59 -3.30 114.58 111.88 1lr1 h GLU 49 Ca 0.13 -0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.68 1lr1 h GLU 49 Cb 0.54 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1lr1 h GLU 49 CO 0.03 0.21 2.59 1.55 -0.73 0.00 0.00 179.01 182.66 1lr1 n VAL 50 N -4.93 3.07 0.00 0.32 3.14 -0.35 -4.93 118.33 114.64 1lr1 n VAL 50 Ca -0.03 -2.84 0.00 0.00 -2.96 0.00 0.00 64.34 58.51 1lr1 n VAL 50 Cb 0.04 -2.46 0.00 0.00 -1.06 0.00 0.00 33.84 30.36 1lr1 n VAL 50 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1lr1 n GLU 51 N 6.96 2.10 -2.08 1.45 -0.58 -1.25 -4.96 120.64 122.28 1lr1 n GLU 51 Ca 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.23 1lr1 n GLU 51 Cb 0.41 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.27 1lr1 n GLU 51 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1lr1 n GLU 52 N 0.00 0.06 0.00 3.49 0.28 -1.26 -5.01 120.64 118.20 1lr1 n GLU 52 Ca 0.00 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.71 1lr1 n GLU 52 Cb 0.00 0.01 0.00 0.00 1.43 0.00 0.00 31.44 32.88 1lr1 n GLU 52 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1lr1 n ARG 53 N -0.28 0.00 -0.00 3.44 1.85 -1.26 -4.95 116.66 115.46 1lr1 n ARG 53 Ca -0.15 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.73 1lr1 n ARG 53 Cb 0.57 0.00 0.40 0.00 -1.05 0.00 0.00 32.46 32.37 1lr1 n ARG 53 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1lr1 h THR 54 N 0.00 1.13 -2.42 8.89 2.02 -2.02 -3.48 112.91 117.02 1lr1 h THR 54 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1lr1 h THR 54 Cb 0.00 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1lr1 h THR 54 CO 0.00 0.14 -0.57 0.54 0.37 0.00 0.00 175.52 175.99 1lr1 n ARG 55 N -4.43 -3.06 -1.97 6.66 5.12 -1.26 -4.88 116.66 112.83 1lr1 n ARG 55 Ca 0.03 2.23 -0.41 0.00 -1.93 0.00 0.00 57.85 57.76 1lr1 n ARG 55 Cb 0.10 -2.46 -0.02 0.00 -1.16 0.00 0.00 32.46 28.91 1lr1 n ARG 55 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1lr1 s LYS 56 N -3.31 4.24 0.00 5.56 1.02 -1.26 -5.15 119.74 120.85 1lr1 s LYS 56 Ca 0.00 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.34 1lr1 s LYS 56 Cb 0.00 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1lr1 s LYS 56 CO 0.00 -0.45 0.47 1.47 -0.92 0.00 0.00 175.35 175.91