#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 -2.04 -0.83 114.58 117.95 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 0.40 -0.39 0.00 -0.73 0.00 0.00 179.01 178.29 1lr1 h ALA 3 N 1.60 0.81 0.08 2.92 0.00 -2.01 0.14 119.26 122.79 1lr1 h ALA 3 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1lr1 h ALA 3 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1lr1 h ALA 3 CO 0.05 0.17 -0.74 -0.07 0.00 0.00 0.00 179.25 178.66 1lr1 h LEU 4 N 0.00 0.26 -0.05 0.00 3.38 -1.94 -3.35 115.31 113.61 1lr1 h LEU 4 Ca -0.01 -0.90 -0.08 0.00 0.09 0.00 0.00 57.88 56.97 1lr1 h LEU 4 Cb 1.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1lr1 h LEU 4 CO 0.01 1.33 -0.40 0.50 0.09 0.00 0.00 178.44 179.98 1lr1 h LYS 5 N -0.61 0.00 -0.64 1.13 3.11 -1.22 0.39 116.57 118.73 1lr1 h LYS 5 Ca -0.15 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.79 1lr1 h LYS 5 Cb 1.44 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.59 1lr1 h LYS 5 CO 0.05 0.40 0.23 0.97 -2.81 0.00 0.00 179.45 178.28 1lr1 h ILE 6 N 0.00 0.73 -0.01 2.00 2.10 -0.84 -1.25 117.51 120.24 1lr1 h ILE 6 Ca -0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1lr1 h ILE 6 Cb 1.28 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1lr1 h ILE 6 CO 0.05 0.07 -0.54 0.00 -1.08 0.00 0.00 178.15 176.65 1lr1 n LEU 7 N -5.02 1.25 -2.14 2.19 -0.00 -1.24 -4.78 117.00 107.26 1lr1 n LEU 7 Ca 0.10 -0.64 -0.18 0.00 -0.00 0.00 0.00 56.01 55.28 1lr1 n LEU 7 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 1lr1 n LEU 7 CO 0.20 0.26 -0.21 0.59 -0.00 0.00 0.00 177.39 178.23 1lr1 n ASN 8 N -0.70 -5.35 -1.79 1.45 4.13 0.79 -4.51 115.26 109.28 1lr1 n ASN 8 Ca 0.05 -0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1lr1 n ASN 8 Cb 0.31 -4.39 0.00 0.00 -1.54 0.00 0.00 39.78 34.16 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 -1.55 -9.12 0.21 6.41 5.03 0.10 -3.80 115.26 112.55 1lr1 n ASN 9 Ca -0.21 1.29 0.18 0.00 0.87 0.00 0.00 54.58 56.71 1lr1 n ASN 9 Cb 0.66 -4.79 0.78 0.00 -1.02 0.00 0.00 39.78 35.41 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 2.96 0.21 0.12 2.41 -2.65 -1.90 -0.75 117.51 117.91 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 0.67 0.00 0.00 -2.05 0.00 0.00 36.82 35.44 1lr1 h ILE 10 CO 0.00 0.00 -0.06 0.08 0.03 0.00 0.00 178.15 178.20 1lr1 h ARG 11 N 0.00 -0.16 -0.19 0.16 0.11 -1.94 0.30 114.38 112.66 1lr1 h ARG 11 Ca 0.10 0.01 -0.19 0.00 0.10 0.00 0.00 59.98 60.00 1lr1 h ARG 11 Cb 0.85 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1lr1 h ARG 11 CO -0.00 0.12 -0.64 1.15 0.10 0.00 0.00 179.97 180.70 1lr1 h THR 12 N -0.44 1.30 0.11 0.08 2.02 -1.36 -3.23 112.91 111.39 1lr1 h THR 12 Ca -0.02 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 1lr1 h THR 12 Cb 0.36 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1lr1 h THR 12 CO 0.03 0.59 -0.05 0.25 0.37 0.00 0.00 175.52 176.71 1lr1 h LEU 13 N 0.51 -0.12 -1.73 2.58 6.46 -1.18 -1.77 115.31 120.05 1lr1 h LEU 13 Ca -0.01 -0.16 0.37 0.00 -0.12 0.00 0.00 57.88 57.95 1lr1 h LEU 13 Cb 1.23 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 41.12 1lr1 h LEU 13 CO 0.13 0.09 0.88 -0.09 -0.62 0.00 0.00 178.44 178.83 1lr1 h ARG 14 N -0.34 0.11 0.01 1.25 9.65 -0.44 0.79 114.38 125.41 1lr1 h ARG 14 Ca -0.02 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1lr1 h ARG 14 Cb 0.28 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1lr1 h ARG 14 CO 0.02 0.07 -0.21 0.00 2.80 0.00 0.00 179.97 182.66 1lr1 h ALA 15 N 1.44 0.03 -0.25 2.80 0.00 -1.50 0.14 119.26 121.93 1lr1 h ALA 15 Ca 0.66 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1lr1 h ALA 15 Cb 2.32 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 1lr1 h ALA 15 CO -0.15 0.11 -0.13 -0.56 0.00 0.00 0.00 179.25 178.52 1lr1 h GLN 16 N -0.96 0.42 0.00 0.00 3.07 -0.24 -1.93 115.11 115.47 1lr1 h GLN 16 Ca -0.05 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.57 1lr1 h GLN 16 Cb 1.07 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1lr1 h GLN 16 CO -0.02 0.55 -0.62 0.00 0.09 0.00 0.00 178.83 178.84 1lr1 h ALA 17 N 1.48 0.69 -1.52 0.06 0.00 0.39 -3.33 119.26 117.03 1lr1 h ALA 17 Ca 0.07 0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.43 1lr1 h ALA 17 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1lr1 h ALA 17 CO 0.03 0.00 1.10 -0.09 0.00 0.00 0.00 179.25 180.28 1lr1 h ARG 18 N 0.00 0.00 -1.25 0.00 2.43 0.14 1.22 114.38 116.92 1lr1 h ARG 18 Ca 0.00 -0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 1lr1 h ARG 18 Cb 0.98 -0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.14 1lr1 h ARG 18 CO 0.00 0.00 -0.36 -0.85 -1.51 0.00 0.00 179.97 177.25 1lr1 n GLU 19 N -4.08 3.33 -3.60 0.20 0.28 -1.25 -5.01 120.64 110.52 1lr1 n GLU 19 Ca 0.34 -4.13 -0.06 0.00 -0.16 0.00 0.00 57.16 53.15 1lr1 n GLU 19 Cb 1.58 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 32.16 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 -3.07 -0.26 0.69 -1.84 0.15 0.42 -5.12 113.70 104.68 1lr1 s SER 20 Ca 0.51 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 1lr1 s SER 20 Cb 0.42 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.12 1lr1 s SER 20 CO -0.12 -0.64 1.12 -0.89 1.20 0.00 0.00 173.24 173.91 1lr1 s THR 21 N -3.05 3.08 -0.52 6.45 2.01 -1.26 -4.86 115.64 117.50 1lr1 s THR 21 Ca 0.08 0.48 0.13 0.00 0.31 0.00 0.00 61.69 62.70 1lr1 s THR 21 Cb -0.01 -2.99 0.13 0.00 0.01 0.00 0.00 72.50 69.65 1lr1 s THR 21 CO -0.05 -0.33 1.41 0.00 -0.69 0.00 0.00 174.62 174.96 1lr1 n LEU 22 N -2.65 0.34 -0.17 4.42 -0.00 -1.26 -2.97 117.00 114.71 1lr1 n LEU 22 Ca 0.11 0.66 0.26 0.00 -0.00 0.00 0.00 56.01 57.03 1lr1 n LEU 22 Cb 0.52 -0.70 0.39 0.00 -0.00 0.00 0.00 43.42 43.63 1lr1 n LEU 22 CO 0.48 -0.77 1.22 -1.84 -0.00 0.00 0.00 177.39 176.49 1lr1 n GLU 23 N -1.96 0.02 -0.34 1.47 -0.00 -1.26 0.16 120.64 118.73 1lr1 n GLU 23 Ca -0.01 1.00 0.09 0.00 -0.00 0.00 0.00 57.16 58.25 1lr1 n GLU 23 Cb 0.02 -2.51 0.26 0.00 -0.00 0.00 0.00 31.44 29.22 1lr1 n GLU 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1lr1 h THR 24 N 0.00 0.79 -0.31 3.84 1.03 -1.92 0.13 112.91 116.47 1lr1 h THR 24 Ca 0.45 -0.28 -0.10 0.00 -0.01 0.00 0.00 66.41 66.48 1lr1 h THR 24 Cb 2.84 -0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 69.82 1lr1 h THR 24 CO -0.00 0.15 -0.19 0.17 -0.01 0.00 0.00 175.52 175.63 1lr1 h LEU 25 N 0.81 0.71 -2.40 0.00 8.10 0.13 0.29 115.31 122.95 1lr1 h LEU 25 Ca 0.52 -0.43 0.03 0.00 0.11 0.00 0.00 57.88 58.10 1lr1 h LEU 25 Cb 0.68 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1lr1 h LEU 25 CO -0.33 0.98 0.14 -0.08 -4.11 0.00 0.00 178.44 175.04 1lr1 h GLU 26 N 0.43 0.00 0.00 0.17 4.81 -0.98 3.33 114.58 122.35 1lr1 h GLU 26 Ca 0.06 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1lr1 h GLU 26 Cb 0.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1lr1 h GLU 26 CO 0.05 0.00 -0.36 1.49 -0.73 0.00 0.00 179.01 179.46 1lr1 h GLU 27 N 0.00 0.00 0.05 1.92 4.81 0.02 -3.31 114.58 118.06 1lr1 h GLU 27 Ca 0.04 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.99 1lr1 h GLU 27 Cb 0.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1lr1 h GLU 27 CO -0.00 0.47 -1.51 0.52 -0.73 0.00 0.00 179.01 177.75 1lr1 h MET 28 N -1.00 0.11 0.00 1.92 2.86 0.22 -3.33 114.93 115.70 1lr1 h MET 28 Ca -0.07 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1lr1 h MET 28 Cb 0.64 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 1lr1 h MET 28 CO -0.04 1.09 -0.05 1.25 1.06 0.00 0.00 176.91 180.22 1lr1 h LEU 29 N -0.60 0.00 -0.34 1.22 5.85 0.59 0.41 115.31 122.45 1lr1 h LEU 29 Ca -0.37 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.15 1lr1 h LEU 29 Cb 1.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1lr1 h LEU 29 CO -0.09 0.05 -0.79 -0.08 -0.34 0.00 0.00 178.44 177.18 1lr1 h GLU 30 N 0.00 0.39 0.00 1.25 4.81 -1.20 -2.78 114.58 117.06 1lr1 h GLU 30 Ca -0.00 -0.35 -0.22 0.00 -0.13 0.00 0.00 59.36 58.66 1lr1 h GLU 30 Cb 0.11 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1lr1 h GLU 30 CO 0.01 1.01 -1.30 0.87 -0.73 0.00 0.00 179.01 178.86 1lr1 h LYS 31 N 0.26 0.00 0.00 1.92 1.79 -1.44 -3.06 116.57 116.03 1lr1 h LYS 31 Ca -0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1lr1 h LYS 31 Cb 1.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1lr1 h LYS 31 CO 0.14 0.59 -0.20 1.25 -1.08 0.00 0.00 179.45 180.15 1lr1 h LEU 32 N 0.00 0.00 0.18 2.94 5.85 -0.23 0.29 115.31 124.34 1lr1 h LEU 32 Ca -0.15 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.24 1lr1 h LEU 32 Cb 1.78 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.81 1lr1 h LEU 32 CO 0.08 0.20 -1.66 1.05 -0.34 0.00 0.00 178.44 177.77 1lr1 h GLU 33 N 0.00 0.38 -0.18 1.25 4.11 -1.54 -3.25 114.58 115.35 1lr1 h GLU 33 Ca -0.00 -0.64 -0.10 0.00 0.07 0.00 0.00 59.36 58.68 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 0.03 1.31 -0.33 -0.39 0.07 0.00 0.00 179.01 179.70 1lr1 h VAL 34 N 0.02 1.28 -0.28 -1.06 -1.51 -1.38 0.83 116.25 114.15 1lr1 h VAL 34 Ca -0.33 -1.37 0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1lr1 h VAL 34 Cb 2.03 1.51 -0.03 0.00 -2.13 0.00 0.00 31.29 32.67 1lr1 h VAL 34 CO 0.16 0.42 0.10 1.62 -1.23 0.00 0.00 177.57 178.64 1lr1 h VAL 35 N 0.31 0.93 0.03 7.19 3.04 -0.54 -1.95 116.25 125.27 1lr1 h VAL 35 Ca 0.04 -0.08 -0.22 0.00 -1.01 0.00 0.00 66.70 65.44 1lr1 h VAL 35 Cb 0.73 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1lr1 h VAL 35 CO 0.06 0.04 -0.99 -0.37 -1.01 0.00 0.00 177.57 175.30 1lr1 h VAL 36 N 0.22 1.56 -0.97 1.51 -1.51 -1.53 -3.19 116.25 112.34 1lr1 h VAL 36 Ca 0.12 -2.95 0.32 0.00 -1.23 0.00 0.00 66.70 62.96 1lr1 h VAL 36 Cb 0.09 2.68 -0.17 0.00 -2.13 0.00 0.00 31.29 31.77 1lr1 h VAL 36 CO -0.12 0.85 0.34 -1.13 -1.23 0.00 0.00 177.57 176.28 1lr1 h ASN 37 N 0.06 0.07 -0.32 4.19 -1.24 0.14 4.05 115.58 122.53 1lr1 h ASN 37 Ca -0.05 0.24 -0.17 0.00 0.71 0.00 0.00 56.30 57.02 1lr1 h ASN 37 Cb 1.68 0.30 -0.00 0.00 0.73 0.00 0.00 38.32 41.03 1lr1 h ASN 37 CO 0.15 -0.29 -0.47 -0.33 -1.29 0.00 0.00 177.43 175.19 1lr1 h GLU 38 N 0.11 0.89 0.07 6.67 4.39 -1.43 -3.03 114.58 122.24 1lr1 h GLU 38 Ca 0.69 -0.53 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1lr1 h GLU 38 Cb 1.60 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1lr1 h GLU 38 CO -0.75 1.17 -0.03 0.00 -1.16 0.00 0.00 179.01 178.23 1lr1 h ARG 39 N 0.69 -0.09 -1.13 2.33 -0.00 0.29 0.25 114.38 116.72 1lr1 h ARG 39 Ca 0.03 0.01 0.35 0.00 -0.50 0.00 0.00 59.98 59.87 1lr1 h ARG 39 Cb 1.07 0.02 -0.13 0.00 0.00 0.00 0.00 29.97 30.94 1lr1 h ARG 39 CO 0.11 0.49 0.70 0.00 0.00 0.00 0.00 179.97 181.26 1lr1 h ARG 40 N -0.86 0.24 0.03 0.04 2.47 0.67 3.02 114.38 119.98 1lr1 h ARG 40 Ca -0.01 -0.01 -0.19 0.00 -1.26 0.00 0.00 59.98 58.50 1lr1 h ARG 40 Cb 0.62 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 1lr1 h ARG 40 CO 0.02 0.16 -1.04 1.49 0.56 0.00 0.00 179.97 181.15 1lr1 h GLU 41 N 0.24 0.06 0.08 0.04 4.81 -1.57 -3.32 114.58 114.93 1lr1 h GLU 41 Ca 0.74 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 59.59 1lr1 h GLU 41 Cb 1.98 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.39 1lr1 h GLU 41 CO -0.47 1.05 -1.42 0.93 -0.73 0.00 0.00 179.01 178.37 1lr1 h GLU 42 N -0.82 0.18 -0.28 1.92 4.39 0.76 -3.24 114.58 117.49 1lr1 h GLU 42 Ca -0.27 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 59.16 1lr1 h GLU 42 Cb 1.36 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 1lr1 h GLU 42 CO -0.10 1.15 0.07 1.49 -1.16 0.00 0.00 179.01 180.46 1lr1 h GLU 43 N -0.43 0.18 -0.75 2.33 4.22 0.53 0.95 114.58 121.61 1lr1 h GLU 43 Ca -0.32 -0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.21 1lr1 h GLU 43 Cb 1.67 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 1lr1 h GLU 43 CO -0.00 0.12 0.49 1.03 -2.18 0.00 0.00 179.01 178.47 1lr1 h SER 44 N 0.19 0.57 -0.73 1.04 0.87 -1.45 0.26 113.55 114.29 1lr1 h SER 44 Ca 0.13 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1lr1 h SER 44 Cb 0.12 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1lr1 h SER 44 CO -0.15 0.33 0.34 0.00 -0.53 0.00 0.00 176.83 176.82 1lr1 h ALA 45 N 1.63 0.94 -0.57 6.23 0.00 -0.93 0.75 119.26 127.30 1lr1 h ALA 45 Ca 0.35 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1lr1 h ALA 45 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1lr1 h ALA 45 CO -0.13 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.75 1lr1 h ALA 46 N 1.17 0.76 -0.40 0.00 0.00 0.14 0.45 119.26 121.38 1lr1 h ALA 46 Ca 0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1lr1 h ALA 46 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1lr1 h ALA 46 CO -0.03 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.75 1lr1 h ALA 47 N 1.01 0.54 -0.44 0.00 0.00 -0.58 -2.89 119.26 116.90 1lr1 h ALA 47 Ca 0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1lr1 h ALA 47 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1lr1 h ALA 47 CO 0.01 0.28 -0.22 0.00 0.00 0.00 0.00 179.25 179.31 1lr1 h ALA 48 N 0.91 0.78 -0.70 0.00 0.00 -0.73 -2.94 119.26 116.59 1lr1 h ALA 48 Ca 0.12 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1lr1 h ALA 48 Cb 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1lr1 h ALA 48 CO 0.01 0.66 0.46 1.49 0.00 0.00 0.00 179.25 181.87 1lr1 h GLU 49 N 0.77 0.59 -6.92 0.00 4.57 -0.79 -3.46 114.58 109.33 1lr1 h GLU 49 Ca 0.10 -0.04 -0.59 0.00 -1.18 0.00 0.00 59.36 57.66 1lr1 h GLU 49 Cb 0.77 -0.13 -0.16 0.00 -0.16 0.00 0.00 28.75 29.07 1lr1 h GLU 49 CO 0.06 0.39 -0.95 1.33 -1.18 0.00 0.00 179.01 178.66 1lr1 n VAL 50 N -4.49 -1.67 -1.68 0.32 0.24 -1.10 -4.81 118.33 105.15 1lr1 n VAL 50 Ca 0.11 -0.51 -0.46 0.00 -2.04 0.00 0.00 64.34 61.44 1lr1 n VAL 50 Cb 0.32 -1.52 -0.04 0.00 -1.47 0.00 0.00 33.84 31.13 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 -4.56 2.30 0.00 7.34 -0.58 -1.26 -4.72 120.64 119.15 1lr1 n GLU 51 Ca -0.31 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1lr1 n GLU 51 Cb 0.69 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 1lr1 n GLU 51 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1lr1 n GLU 52 N 4.39 0.00 -2.41 3.49 -0.58 -1.26 -5.02 120.64 119.24 1lr1 n GLU 52 Ca 0.18 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.89 1lr1 n GLU 52 Cb 0.31 -0.08 0.03 0.00 -0.57 0.00 0.00 31.44 31.13 1lr1 n GLU 52 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1lr1 n ARG 53 N -2.04 0.45 -1.78 3.49 1.85 -1.26 -5.15 116.66 112.22 1lr1 n ARG 53 Ca 0.00 -0.78 -0.41 0.00 -1.00 0.00 0.00 57.85 55.66 1lr1 n ARG 53 Cb 0.00 0.04 0.01 0.00 -1.05 0.00 0.00 32.46 31.46 1lr1 n ARG 53 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1lr1 s THR 54 N 0.06 2.00 0.37 8.89 -1.32 -1.26 -4.92 115.64 119.46 1lr1 s THR 54 Ca 0.06 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.26 1lr1 s THR 54 Cb 0.15 -3.00 -0.11 0.00 -1.51 0.00 0.00 72.50 68.03 1lr1 s THR 54 CO -0.04 0.00 1.51 0.54 -2.21 0.00 0.00 174.62 174.42 1lr1 n ARG 55 N 0.25 2.70 -1.91 7.08 3.00 -1.26 -4.89 116.66 121.63 1lr1 n ARG 55 Ca 0.02 0.95 -0.01 0.00 -0.01 0.00 0.00 57.85 58.80 1lr1 n ARG 55 Cb 0.40 -2.69 0.05 0.00 0.00 0.00 0.00 32.46 30.21 1lr1 n ARG 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1lr1 n LYS 56 N 0.62 0.51 0.00 5.56 -0.00 -1.26 -5.26 118.16 118.33 1lr1 n LYS 56 Ca 0.02 -0.46 0.01 0.00 -0.00 0.00 0.00 58.31 57.88 1lr1 n LYS 56 Cb 0.39 0.17 0.08 0.00 -0.00 0.00 0.00 35.03 35.67 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87