#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 -1.03 114.58 120.66 1lr1 h GLU 2 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 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 0.50 -0.06 0.00 -0.73 0.00 0.00 179.01 178.72 1lr1 h ALA 3 N 1.50 0.98 0.09 2.92 0.00 -2.00 0.40 119.26 123.14 1lr1 h ALA 3 Ca -0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1lr1 h ALA 3 Cb 1.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1lr1 h ALA 3 CO 0.07 0.08 -1.31 -0.07 0.00 0.00 0.00 179.25 178.01 1lr1 h LEU 4 N 0.00 0.29 0.00 0.00 4.07 -1.92 -3.37 115.31 114.38 1lr1 h LEU 4 Ca -0.00 -0.81 -0.09 0.00 0.08 0.00 0.00 57.88 57.05 1lr1 h LEU 4 Cb 0.83 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1lr1 h LEU 4 CO 0.01 1.56 -0.49 0.50 -1.08 0.00 0.00 178.44 178.94 1lr1 h LYS 5 N -0.46 0.00 0.06 1.13 3.11 -1.19 0.49 116.57 119.72 1lr1 h LYS 5 Ca -0.30 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.57 1lr1 h LYS 5 Cb 1.64 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.82 1lr1 h LYS 5 CO 0.01 0.43 -0.34 0.97 -2.81 0.00 0.00 179.45 177.71 1lr1 h ILE 6 N 0.00 0.28 -0.00 2.00 2.10 -0.35 -1.11 117.51 120.42 1lr1 h ILE 6 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1lr1 h ILE 6 Cb 1.35 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1lr1 h ILE 6 CO 0.06 0.00 -0.45 0.00 -1.08 0.00 0.00 178.15 176.67 1lr1 n LEU 7 N -5.42 0.92 -2.54 2.19 -0.00 -1.25 -4.94 117.00 105.96 1lr1 n LEU 7 Ca -0.06 -0.24 -0.20 0.00 -0.00 0.00 0.00 56.01 55.51 1lr1 n LEU 7 Cb 0.34 -0.14 0.02 0.00 -0.00 0.00 0.00 43.42 43.63 1lr1 n LEU 7 CO 0.20 0.19 -0.10 0.59 -0.00 0.00 0.00 177.39 178.28 1lr1 n ASN 8 N -1.00 -5.67 -1.60 1.45 4.13 0.15 -4.50 115.26 108.21 1lr1 n ASN 8 Ca 0.08 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1lr1 n ASN 8 Cb 0.35 -4.58 0.00 0.00 -1.54 0.00 0.00 39.78 34.01 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 -1.96 -8.28 0.16 6.41 5.03 0.15 -4.14 115.26 112.63 1lr1 n ASN 9 Ca -0.15 1.14 0.18 0.00 0.87 0.00 0.00 54.58 56.62 1lr1 n ASN 9 Cb 0.64 -4.14 0.79 0.00 -1.02 0.00 0.00 39.78 36.04 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 2.66 0.50 -0.01 2.41 3.07 -1.90 -1.08 117.51 123.16 1lr1 h ILE 10 Ca 0.00 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.44 1lr1 h ILE 10 Cb 0.00 0.79 -0.05 0.00 -0.27 0.00 0.00 36.82 37.29 1lr1 h ILE 10 CO 0.00 0.00 -0.26 0.08 -1.05 0.00 0.00 178.15 176.92 1lr1 h ARG 11 N 0.00 -0.38 0.02 0.16 0.11 -1.94 0.82 114.38 113.17 1lr1 h ARG 11 Ca 0.13 0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.95 1lr1 h ARG 11 Cb 0.66 0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.78 1lr1 h ARG 11 CO -0.00 -0.25 -1.62 0.00 0.10 0.00 0.00 179.97 178.20 1lr1 h THR 12 N -0.40 0.97 0.35 0.08 1.03 -1.68 -3.36 112.91 109.90 1lr1 h THR 12 Ca 0.07 -2.78 -0.02 0.00 -0.01 0.00 0.00 66.41 63.66 1lr1 h THR 12 Cb 0.49 2.50 0.00 0.00 -1.07 0.00 0.00 68.15 70.07 1lr1 h THR 12 CO -0.24 0.60 -0.17 0.25 -0.01 0.00 0.00 175.52 175.96 1lr1 h LEU 13 N 0.01 -0.40 -1.84 0.00 7.12 -1.12 0.21 115.31 119.28 1lr1 h LEU 13 Ca -0.25 -0.05 0.19 0.00 0.13 0.00 0.00 57.88 57.89 1lr1 h LEU 13 Cb 1.98 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 42.18 1lr1 h LEU 13 CO 0.09 -0.20 0.51 0.08 -0.13 0.00 0.00 178.44 178.79 1lr1 h ARG 14 N -0.58 0.14 0.00 1.25 0.11 -1.02 0.34 114.38 114.62 1lr1 h ARG 14 Ca -0.05 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 1lr1 h ARG 14 Cb 0.43 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1lr1 h ARG 14 CO 0.08 0.09 -0.39 0.00 0.10 0.00 0.00 179.97 179.85 1lr1 h ALA 15 N 1.65 0.08 -0.33 0.08 0.00 -1.63 0.25 119.26 119.35 1lr1 h ALA 15 Ca 0.35 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1lr1 h ALA 15 Cb 1.19 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1lr1 h ALA 15 CO -0.05 0.22 0.14 -0.56 0.00 0.00 0.00 179.25 179.00 1lr1 h GLN 16 N -1.00 0.46 0.00 0.00 3.07 -0.19 -0.84 115.11 116.62 1lr1 h GLN 16 Ca -0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.51 1lr1 h GLN 16 Cb 1.02 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.47 1lr1 h GLN 16 CO -0.06 0.38 -0.85 0.00 0.09 0.00 0.00 178.83 178.39 1lr1 h ALA 17 N 1.69 0.67 -1.11 0.06 0.00 -0.47 -3.33 119.26 116.77 1lr1 h ALA 17 Ca 0.12 -0.35 0.31 0.00 0.00 0.00 0.00 54.91 54.98 1lr1 h ALA 17 Cb 0.09 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1lr1 h ALA 17 CO -0.01 0.41 0.77 -0.09 0.00 0.00 0.00 179.25 180.33 1lr1 h ARG 18 N 0.00 0.10 -0.82 0.00 9.65 0.58 0.44 114.38 124.33 1lr1 h ARG 18 Ca -0.05 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1lr1 h ARG 18 Cb 1.26 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.77 1lr1 h ARG 18 CO 0.03 0.07 0.54 1.05 2.80 0.00 0.00 179.97 184.46 1lr1 h GLU 19 N 0.11 0.98 0.00 0.20 4.11 -1.67 -3.43 114.58 114.88 1lr1 h GLU 19 Ca 0.55 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1lr1 h GLU 19 Cb 1.98 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1lr1 h GLU 19 CO -0.09 0.65 0.00 0.43 0.07 0.00 0.00 179.01 180.07 1lr1 n SER 20 N -4.45 0.00 -3.64 3.06 7.64 0.15 -5.15 113.62 111.23 1lr1 n SER 20 Ca 0.11 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 1lr1 n SER 20 Cb 0.12 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1lr1 n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1lr1 n THR 21 N 0.00 0.00 0.23 0.44 -1.04 -1.26 -5.00 114.28 107.66 1lr1 n THR 21 Ca 0.00 -1.70 0.16 0.00 -2.04 0.00 0.00 64.05 60.46 1lr1 n THR 21 Cb 0.00 0.44 0.83 0.00 -1.82 0.00 0.00 70.33 69.78 1lr1 n THR 21 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1lr1 h LEU 22 N 0.00 0.00 -1.53 -4.42 6.46 -1.97 -2.38 115.31 111.47 1lr1 h LEU 22 Ca -0.27 0.00 0.32 0.00 -0.12 0.00 0.00 57.88 57.81 1lr1 h LEU 22 Cb 0.89 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 1lr1 h LEU 22 CO 0.45 0.00 1.07 -0.08 -0.62 0.00 0.00 178.44 179.26 1lr1 h GLU 23 N 0.00 0.00 -0.96 1.25 4.81 -1.97 1.08 114.58 118.80 1lr1 h GLU 23 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1lr1 h GLU 23 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1lr1 h GLU 23 CO 0.00 0.00 0.62 0.00 -0.73 0.00 0.00 179.01 178.90 1lr1 h THR 24 N 0.00 1.12 -0.17 0.32 1.03 -1.79 -2.13 112.91 111.29 1lr1 h THR 24 Ca 0.53 -0.40 -0.08 0.00 -0.01 0.00 0.00 66.41 66.45 1lr1 h THR 24 Cb 2.67 -0.14 -0.00 0.00 -1.07 0.00 0.00 68.15 69.60 1lr1 h THR 24 CO -0.01 0.21 -0.21 0.17 -0.01 0.00 0.00 175.52 175.68 1lr1 h LEU 25 N 1.16 0.48 -2.26 0.00 8.10 0.96 0.22 115.31 123.97 1lr1 h LEU 25 Ca 0.40 -0.50 0.04 0.00 0.11 0.00 0.00 57.88 57.92 1lr1 h LEU 25 Cb 0.09 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1lr1 h LEU 25 CO -0.15 0.88 0.24 1.05 -4.11 0.00 0.00 178.44 176.35 1lr1 h GLU 26 N 0.08 0.00 0.00 0.17 4.11 -1.46 3.72 114.58 121.21 1lr1 h GLU 26 Ca 0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1lr1 h GLU 26 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1lr1 h GLU 26 CO 0.05 0.00 -0.29 1.49 0.07 0.00 0.00 179.01 180.33 1lr1 h GLU 27 N 0.00 0.00 0.03 1.06 4.57 -0.87 -3.31 114.58 116.06 1lr1 h GLU 27 Ca 0.06 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.99 1lr1 h GLU 27 Cb 0.53 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1lr1 h GLU 27 CO -0.00 0.45 -1.37 0.52 -1.18 0.00 0.00 179.01 177.43 1lr1 h MET 28 N -1.00 0.07 -0.71 1.92 2.86 0.49 -3.34 114.93 115.22 1lr1 h MET 28 Ca -0.05 -0.12 0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1lr1 h MET 28 Cb 0.59 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 1lr1 h MET 28 CO -0.03 1.06 0.47 1.25 1.06 0.00 0.00 176.91 180.72 1lr1 h LEU 29 N -0.74 0.40 -0.86 1.22 5.85 0.68 0.22 115.31 122.09 1lr1 h LEU 29 Ca -0.35 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 1lr1 h LEU 29 Cb 1.47 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1lr1 h LEU 29 CO -0.12 0.22 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.97 1lr1 h GLU 30 N 0.43 0.69 0.00 1.25 4.57 -1.32 -0.25 114.58 119.95 1lr1 h GLU 30 Ca 0.34 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 1lr1 h GLU 30 Cb 0.73 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1lr1 h GLU 30 CO -0.11 0.80 -0.41 0.87 -1.18 0.00 0.00 179.01 178.99 1lr1 h LYS 31 N 0.62 0.00 0.00 1.92 1.79 -0.84 -1.05 116.57 119.01 1lr1 h LYS 31 Ca 0.10 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.45 1lr1 h LYS 31 Cb 0.61 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1lr1 h LYS 31 CO 0.04 0.41 -0.60 1.25 -1.08 0.00 0.00 179.45 179.47 1lr1 h LEU 32 N 0.00 0.00 0.06 2.94 5.85 0.19 0.12 115.31 124.47 1lr1 h LEU 32 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 1lr1 h LEU 32 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1lr1 h LEU 32 CO 0.05 0.60 -1.42 1.05 -0.34 0.00 0.00 178.44 178.38 1lr1 h GLU 33 N 0.00 0.12 -0.19 1.25 -0.00 -0.68 -3.23 114.58 111.85 1lr1 h GLU 33 Ca -0.01 -0.20 -0.19 0.00 -0.00 0.00 0.00 59.36 58.96 1lr1 h GLU 33 Cb 1.09 0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.92 1lr1 h GLU 33 CO 0.08 0.93 -0.64 -0.39 -0.00 0.00 0.00 179.01 178.99 1lr1 h VAL 34 N 0.03 1.29 -0.40 -1.06 -1.51 -1.08 1.13 116.25 114.66 1lr1 h VAL 34 Ca -0.19 -1.85 0.08 0.00 -1.23 0.00 0.00 66.70 63.51 1lr1 h VAL 34 Cb 1.94 1.90 -0.07 0.00 -2.13 0.00 0.00 31.29 32.93 1lr1 h VAL 34 CO 0.13 0.59 -0.04 -0.37 -1.23 0.00 0.00 177.57 176.65 1lr1 h VAL 35 N 0.50 0.66 0.00 7.19 -1.51 -0.87 -0.28 116.25 121.94 1lr1 h VAL 35 Ca -0.03 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1lr1 h VAL 35 Cb 1.26 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1lr1 h VAL 35 CO 0.14 0.01 -0.42 1.62 -1.23 0.00 0.00 177.57 177.68 1lr1 h VAL 36 N 0.06 0.00 -0.98 7.19 3.04 -1.56 -3.19 116.25 120.81 1lr1 h VAL 36 Ca 0.20 -0.84 0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1lr1 h VAL 36 Cb 0.29 1.62 -0.07 0.00 -2.01 0.00 0.00 31.29 31.12 1lr1 h VAL 36 CO -0.36 0.00 0.63 -1.13 -1.01 0.00 0.00 177.57 175.70 1lr1 h ASN 37 N 0.00 0.98 0.01 3.17 -1.24 0.31 2.99 115.58 121.80 1lr1 h ASN 37 Ca 0.00 0.02 -0.26 0.00 0.71 0.00 0.00 56.30 56.77 1lr1 h ASN 37 Cb 0.92 -0.19 0.02 0.00 0.73 0.00 0.00 38.32 39.80 1lr1 h ASN 37 CO 0.00 0.61 -1.01 -0.33 -1.29 0.00 0.00 177.43 175.41 1lr1 h GLU 38 N 1.10 0.67 0.19 6.67 5.08 -1.46 -3.11 114.58 123.72 1lr1 h GLU 38 Ca 0.43 -0.73 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1lr1 h GLU 38 Cb 0.24 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1lr1 h GLU 38 CO -0.18 1.31 -0.09 0.00 -1.00 0.00 0.00 179.01 179.05 1lr1 h ARG 39 N 0.33 -0.25 -0.94 2.33 -0.00 -1.26 0.11 114.38 114.70 1lr1 h ARG 39 Ca -0.13 0.02 0.28 0.00 -0.50 0.00 0.00 59.98 59.65 1lr1 h ARG 39 Cb 1.67 0.06 -0.15 0.00 0.00 0.00 0.00 29.97 31.55 1lr1 h ARG 39 CO 0.20 0.13 0.39 0.00 0.00 0.00 0.00 179.97 180.69 1lr1 h ARG 40 N -0.70 0.25 0.17 0.04 2.47 0.52 2.08 114.38 119.21 1lr1 h ARG 40 Ca -0.03 -0.02 -0.29 0.00 -1.26 0.00 0.00 59.98 58.39 1lr1 h ARG 40 Cb 0.49 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1lr1 h ARG 40 CO 0.04 0.17 -1.40 0.93 0.56 0.00 0.00 179.97 180.27 1lr1 h GLU 41 N 0.26 0.36 0.10 0.04 5.08 -1.51 -3.29 114.58 115.62 1lr1 h GLU 41 Ca 0.64 -0.61 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1lr1 h GLU 41 Cb 1.39 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1lr1 h GLU 41 CO -0.64 1.29 -1.11 1.49 -1.00 0.00 0.00 179.01 179.04 1lr1 h GLU 42 N -0.11 0.21 -0.24 2.33 4.57 0.27 -3.20 114.58 118.41 1lr1 h GLU 42 Ca -0.27 -0.37 0.05 0.00 -1.18 0.00 0.00 59.36 57.59 1lr1 h GLU 42 Cb 1.92 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 30.60 1lr1 h GLU 42 CO 0.16 1.18 -0.05 1.49 -1.18 0.00 0.00 179.01 180.60 1lr1 h GLU 43 N -0.45 0.01 -0.69 1.92 4.22 0.32 0.32 114.58 120.23 1lr1 h GLU 43 Ca -0.24 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.26 1lr1 h GLU 43 Cb 1.62 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.83 1lr1 h GLU 43 CO 0.05 0.01 0.45 0.77 -2.18 0.00 0.00 179.01 178.11 1lr1 h SER 44 N 0.01 0.62 -0.69 1.04 0.02 -1.62 0.94 113.55 113.87 1lr1 h SER 44 Ca 0.12 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1lr1 h SER 44 Cb 0.17 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1lr1 h SER 44 CO -0.24 0.40 0.23 0.00 -1.14 0.00 0.00 176.83 176.08 1lr1 h ALA 45 N 1.63 0.90 -0.59 3.77 0.00 -0.85 -1.73 119.26 122.37 1lr1 h ALA 45 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1lr1 h ALA 45 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1lr1 h ALA 45 CO -0.09 0.56 0.10 0.00 0.00 0.00 0.00 179.25 179.82 1lr1 h ALA 46 N 1.10 0.79 -0.51 0.00 0.00 0.18 0.35 119.26 121.17 1lr1 h ALA 46 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lr1 h ALA 46 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1lr1 h ALA 46 CO -0.01 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.04 1lr1 h ALA 47 N 1.02 0.66 -0.06 0.00 0.00 -0.78 -0.42 119.26 119.68 1lr1 h ALA 47 Ca 0.18 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1lr1 h ALA 47 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lr1 h ALA 47 CO 0.01 0.19 -0.79 0.00 0.00 0.00 0.00 179.25 178.67 1lr1 h ALA 48 N 1.11 0.53 -0.20 0.00 0.00 -1.16 -2.99 119.26 116.54 1lr1 h ALA 48 Ca 0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1lr1 h ALA 48 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1lr1 h ALA 48 CO -0.03 0.78 0.07 1.49 0.00 0.00 0.00 179.25 181.56 1lr1 h GLU 49 N 0.27 0.30 -0.16 0.00 4.81 -0.02 -3.20 114.58 116.57 1lr1 h GLU 49 Ca -0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1lr1 h GLU 49 Cb 1.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1lr1 h GLU 49 CO 0.14 0.37 0.05 -0.24 -0.73 0.00 0.00 179.01 178.60 1lr1 h VAL 50 N 0.16 1.18 -3.22 0.32 3.04 -1.14 -3.42 116.25 113.17 1lr1 h VAL 50 Ca 0.06 -0.56 -0.55 0.00 -1.01 0.00 0.00 66.70 64.64 1lr1 h VAL 50 Cb 0.19 1.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.70 1lr1 h VAL 50 CO -0.00 0.17 0.59 -0.70 -1.01 0.00 0.00 177.57 176.62 1lr1 s GLU 51 N -5.40 4.41 0.00 4.17 2.56 -1.13 -4.98 118.70 118.33 1lr1 s GLU 51 Ca -0.14 1.48 0.00 0.00 0.00 0.00 0.00 54.97 56.32 1lr1 s GLU 51 Cb 0.07 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1lr1 s GLU 51 CO 0.70 -0.33 0.00 -1.91 -0.56 0.00 0.00 175.26 173.16 1lr1 n GLU 52 N 4.94 0.00 -0.46 4.30 2.13 -1.26 -4.82 120.64 125.48 1lr1 n GLU 52 Ca 0.09 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.91 1lr1 n GLU 52 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 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 -0.00 0.91 0.02 5.31 1.74 -1.26 -4.26 116.66 119.12 1lr1 n ARG 53 Ca 0.00 -0.05 -0.03 0.00 -0.77 0.00 0.00 57.85 56.99 1lr1 n ARG 53 Cb 0.00 -1.12 0.21 0.00 -1.02 0.00 0.00 32.46 30.52 1lr1 n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lr1 h THR 54 N 1.20 1.27 -2.27 0.55 1.03 -1.97 -3.49 112.91 109.23 1lr1 h THR 54 Ca 0.01 -1.27 0.00 0.00 -0.01 0.00 0.00 66.41 65.14 1lr1 h THR 54 Cb 0.89 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 1lr1 h THR 54 CO 0.02 0.40 -0.54 0.54 -0.01 0.00 0.00 175.52 175.93 1lr1 n ARG 55 N -4.12 -2.84 -0.78 0.00 1.74 -1.26 -4.60 116.66 104.79 1lr1 n ARG 55 Ca -0.00 2.08 -0.07 0.00 -0.77 0.00 0.00 57.85 59.09 1lr1 n ARG 55 Cb 0.41 -2.32 -0.10 0.00 -1.02 0.00 0.00 32.46 29.43 1lr1 n ARG 55 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1lr1 n LYS 56 N -0.39 1.57 -0.32 5.56 5.02 -1.26 -5.24 118.16 123.10 1lr1 n LYS 56 Ca 0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1lr1 n LYS 56 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1lr1 n LYS 56 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16