#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 5.08 -2.03 -1.85 114.58 117.21 1lr1 h GLU 2 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1lr1 h GLU 2 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1lr1 h GLU 2 CO 0.00 0.39 -0.45 0.00 -1.00 0.00 0.00 179.01 177.95 1lr1 h ALA 3 N 1.61 1.08 0.12 3.43 0.00 -2.00 0.72 119.26 124.22 1lr1 h ALA 3 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1lr1 h ALA 3 Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1lr1 h ALA 3 CO 0.05 0.56 -1.19 -0.07 0.00 0.00 0.00 179.25 178.60 1lr1 h LEU 4 N 0.00 0.38 0.00 0.00 -0.00 -1.96 -3.37 115.31 110.37 1lr1 h LEU 4 Ca -0.00 -0.87 -0.12 0.00 -0.00 0.00 0.00 57.88 56.88 1lr1 h LEU 4 Cb 0.89 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1lr1 h LEU 4 CO 0.06 1.53 -0.59 0.50 -0.00 0.00 0.00 178.44 179.93 1lr1 h LYS 5 N -0.37 0.00 -0.51 1.13 1.63 -1.31 0.41 116.57 117.56 1lr1 h LYS 5 Ca -0.25 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.61 1lr1 h LYS 5 Cb 1.69 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.27 1lr1 h LYS 5 CO 0.08 0.54 0.21 0.97 -3.45 0.00 0.00 179.45 177.80 1lr1 h ILE 6 N 0.00 0.88 0.00 2.00 2.10 0.31 -2.86 117.51 119.94 1lr1 h ILE 6 Ca -0.01 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1lr1 h ILE 6 Cb 1.43 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1lr1 h ILE 6 CO 0.07 0.08 -1.25 0.00 -1.08 0.00 0.00 178.15 175.97 1lr1 n LEU 7 N -4.95 0.36 -2.19 2.19 -0.00 -1.25 -4.83 117.00 106.33 1lr1 n LEU 7 Ca 0.05 -0.24 -0.17 0.00 -0.00 0.00 0.00 56.01 55.65 1lr1 n LEU 7 Cb 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.61 1lr1 n LEU 7 CO 0.26 0.09 -0.06 0.59 -0.00 0.00 0.00 177.39 178.27 1lr1 n ASN 8 N -1.72 -4.96 -1.76 1.45 4.13 0.14 -4.41 115.26 108.13 1lr1 n ASN 8 Ca -0.00 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1lr1 n ASN 8 Cb 0.33 -3.90 0.00 0.00 -1.54 0.00 0.00 39.78 34.68 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 -1.36 -8.85 0.04 6.41 5.03 -0.74 -3.72 115.26 112.08 1lr1 n ASN 9 Ca -0.12 1.25 0.21 0.00 0.87 0.00 0.00 54.58 56.80 1lr1 n ASN 9 Cb 0.61 -4.63 0.73 0.00 -1.02 0.00 0.00 39.78 35.47 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 2.99 0.48 -0.04 2.41 -2.65 -1.93 0.13 117.51 118.90 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 0.66 -0.00 0.00 -2.05 0.00 0.00 36.82 35.43 1lr1 h ILE 10 CO 0.00 0.00 0.02 0.08 0.03 0.00 0.00 178.15 178.28 1lr1 h ARG 11 N 0.00 0.05 0.24 0.16 0.11 -1.95 0.24 114.38 113.24 1lr1 h ARG 11 Ca 0.23 -0.01 -0.34 0.00 0.10 0.00 0.00 59.98 59.97 1lr1 h ARG 11 Cb 1.13 -0.01 0.03 0.00 1.11 0.00 0.00 29.97 32.23 1lr1 h ARG 11 CO -0.00 0.09 -1.53 1.15 0.10 0.00 0.00 179.97 179.78 1lr1 h THR 12 N 0.01 1.23 0.02 0.08 2.02 -1.36 -3.33 112.91 111.58 1lr1 h THR 12 Ca 0.01 -2.68 -0.00 0.00 0.77 0.00 0.00 66.41 64.51 1lr1 h THR 12 Cb 0.05 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1lr1 h THR 12 CO -0.00 0.82 -0.01 0.25 0.37 0.00 0.00 175.52 176.95 1lr1 h LEU 13 N 0.14 -0.03 -1.24 2.58 7.12 -0.79 -0.66 115.31 122.43 1lr1 h LEU 13 Ca -0.27 -0.09 0.26 0.00 0.13 0.00 0.00 57.88 57.90 1lr1 h LEU 13 Cb 2.16 0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 42.19 1lr1 h LEU 13 CO 0.26 0.08 0.64 -0.09 -0.13 0.00 0.00 178.44 179.20 1lr1 h ARG 14 N -0.13 0.46 0.01 1.25 2.43 -0.67 0.41 114.38 118.14 1lr1 h ARG 14 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1lr1 h ARG 14 Cb 0.12 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1lr1 h ARG 14 CO 0.01 0.30 -0.05 0.00 -1.51 0.00 0.00 179.97 178.71 1lr1 h ALA 15 N 1.65 -0.00 0.00 2.80 0.00 -1.59 -1.75 119.26 120.37 1lr1 h ALA 15 Ca 0.61 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1lr1 h ALA 15 Cb 1.39 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1lr1 h ALA 15 CO -0.35 0.01 -0.07 -0.56 0.00 0.00 0.00 179.25 178.27 1lr1 h GLN 16 N -0.91 0.00 0.00 0.00 3.07 -0.44 -0.21 115.11 116.62 1lr1 h GLN 16 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.60 1lr1 h GLN 16 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.54 1lr1 h GLN 16 CO 0.01 0.07 -0.97 0.00 0.09 0.00 0.00 178.83 178.04 1lr1 h ALA 17 N 1.93 0.65 -1.53 0.06 0.00 -0.27 -3.33 119.26 116.78 1lr1 h ALA 17 Ca -0.00 -0.62 0.47 0.00 0.00 0.00 0.00 54.91 54.75 1lr1 h ALA 17 Cb 0.20 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1lr1 h ALA 17 CO 0.01 0.74 1.05 0.00 0.00 0.00 0.00 179.25 181.05 1lr1 h ARG 18 N 0.00 0.05 -1.00 0.00 2.47 -0.08 1.33 114.38 117.16 1lr1 h ARG 18 Ca -0.08 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1lr1 h ARG 18 Cb 1.47 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1lr1 h ARG 18 CO 0.05 0.03 0.00 0.39 0.56 0.00 0.00 179.97 181.01 1lr1 n GLU 19 N -4.34 1.01 0.00 0.04 1.02 -1.25 -4.82 120.64 112.30 1lr1 n GLU 19 Ca 0.38 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1lr1 n GLU 19 Cb 1.60 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 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 0.23 0.00 -2.78 1.62 7.64 0.46 -5.18 113.62 115.60 1lr1 n SER 20 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.83 1lr1 n SER 20 Cb 0.37 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.59 1lr1 n SER 20 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1lr1 n THR 21 N 0.00 0.00 0.46 0.44 -2.24 -1.26 -4.99 114.28 106.69 1lr1 n THR 21 Ca 0.00 -0.54 0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1lr1 n THR 21 Cb 0.00 -0.73 0.47 0.00 -2.10 0.00 0.00 70.33 67.97 1lr1 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lr1 n LEU 22 N 0.00 0.74 -0.50 3.22 -0.00 -1.26 -3.41 117.00 115.79 1lr1 n LEU 22 Ca 0.03 0.65 0.43 0.00 -0.00 0.00 0.00 56.01 57.11 1lr1 n LEU 22 Cb 0.16 -0.50 0.66 0.00 -0.00 0.00 0.00 43.42 43.74 1lr1 n LEU 22 CO 0.10 -0.47 1.39 -0.08 -0.00 0.00 0.00 177.39 178.34 1lr1 h GLU 23 N 0.00 0.00 -0.98 1.47 4.81 -1.98 1.02 114.58 118.92 1lr1 h GLU 23 Ca 0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1lr1 h GLU 23 Cb 0.48 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.76 1lr1 h GLU 23 CO 0.00 0.00 0.60 0.00 -0.73 0.00 0.00 179.01 178.88 1lr1 h THR 24 N 0.00 0.81 -0.39 0.32 1.03 -1.96 0.75 112.91 113.47 1lr1 h THR 24 Ca 0.75 -0.29 -0.06 0.00 -0.01 0.00 0.00 66.41 66.79 1lr1 h THR 24 Cb 3.41 -0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 70.35 1lr1 h THR 24 CO -0.01 0.16 0.00 0.17 -0.01 0.00 0.00 175.52 175.83 1lr1 h LEU 25 N 0.86 0.67 -2.25 0.00 8.10 0.80 0.24 115.31 123.73 1lr1 h LEU 25 Ca 0.52 -0.31 0.05 0.00 0.11 0.00 0.00 57.88 58.25 1lr1 h LEU 25 Cb 0.66 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1lr1 h LEU 25 CO -0.32 0.81 0.23 -0.08 -4.11 0.00 0.00 178.44 174.97 1lr1 h GLU 26 N 0.50 0.00 0.00 0.17 4.81 -0.97 3.50 114.58 122.60 1lr1 h GLU 26 Ca 0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1lr1 h GLU 26 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1lr1 h GLU 26 CO 0.02 0.00 -0.29 0.93 -0.73 0.00 0.00 179.01 178.94 1lr1 h GLU 27 N 0.00 0.00 0.06 1.92 4.39 0.27 -3.30 114.58 117.92 1lr1 h GLU 27 Ca 0.07 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.48 1lr1 h GLU 27 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1lr1 h GLU 27 CO -0.00 0.54 -1.57 0.52 -1.16 0.00 0.00 179.01 177.34 1lr1 h MET 28 N -1.00 0.13 -0.62 2.33 2.86 0.28 -3.35 114.93 115.56 1lr1 h MET 28 Ca -0.06 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1lr1 h MET 28 Cb 0.67 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1lr1 h MET 28 CO -0.04 1.11 0.37 1.25 1.06 0.00 0.00 176.91 180.66 1lr1 h LEU 29 N -0.49 0.58 -1.54 1.22 5.85 0.64 0.58 115.31 122.14 1lr1 h LEU 29 Ca -0.38 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1lr1 h LEU 29 Cb 1.65 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1lr1 h LEU 29 CO -0.06 0.40 0.34 -0.08 -0.34 0.00 0.00 178.44 178.69 1lr1 h GLU 30 N 0.71 0.59 0.00 1.25 4.81 -1.38 -0.49 114.58 120.07 1lr1 h GLU 30 Ca 0.26 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.25 1lr1 h GLU 30 Cb 0.08 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1lr1 h GLU 30 CO -0.13 0.39 -1.26 0.87 -0.73 0.00 0.00 179.01 178.15 1lr1 h LYS 31 N 0.61 0.00 0.00 1.92 1.79 -1.47 -2.96 116.57 116.45 1lr1 h LYS 31 Ca 0.20 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.63 1lr1 h LYS 31 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1lr1 h LYS 31 CO -0.05 0.54 -0.21 1.25 -1.08 0.00 0.00 179.45 179.91 1lr1 h LEU 32 N 0.00 0.00 0.16 2.94 5.85 0.11 0.17 115.31 124.54 1lr1 h LEU 32 Ca -0.14 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.23 1lr1 h LEU 32 Cb 1.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1lr1 h LEU 32 CO 0.08 0.21 -1.76 1.05 -0.34 0.00 0.00 178.44 177.68 1lr1 h GLU 33 N 0.00 0.34 -0.29 1.25 -0.00 -1.17 -3.30 114.58 111.42 1lr1 h GLU 33 Ca -0.00 -0.59 -0.10 0.00 -0.00 0.00 0.00 59.36 58.67 1lr1 h GLU 33 Cb 0.51 0.22 -0.01 0.00 -0.00 0.00 0.00 28.75 29.47 1lr1 h GLU 33 CO 0.03 1.25 -0.24 -0.39 -0.00 0.00 0.00 179.01 179.66 1lr1 h VAL 34 N 0.09 1.27 -0.88 -1.06 -1.51 -1.31 1.16 116.25 114.00 1lr1 h VAL 34 Ca -0.34 -1.27 0.09 0.00 -1.23 0.00 0.00 66.70 63.95 1lr1 h VAL 34 Cb 2.08 1.30 -0.06 0.00 -2.13 0.00 0.00 31.29 32.48 1lr1 h VAL 34 CO 0.16 0.41 0.57 1.62 -1.23 0.00 0.00 177.57 179.10 1lr1 h VAL 35 N 0.48 0.98 0.04 7.19 3.04 -0.80 -0.28 116.25 126.91 1lr1 h VAL 35 Ca 0.07 -0.31 -0.28 0.00 -1.01 0.00 0.00 66.70 65.17 1lr1 h VAL 35 Cb 0.67 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 1lr1 h VAL 35 CO 0.05 0.16 -1.51 -0.37 -1.01 0.00 0.00 177.57 174.89 1lr1 h VAL 36 N 0.90 1.13 -0.99 1.51 -1.51 -1.47 -2.22 116.25 113.59 1lr1 h VAL 36 Ca 0.40 -2.88 0.34 0.00 -1.23 0.00 0.00 66.70 63.34 1lr1 h VAL 36 Cb 0.37 2.63 -0.16 0.00 -2.13 0.00 0.00 31.29 32.00 1lr1 h VAL 36 CO -0.17 0.73 0.50 -1.13 -1.23 0.00 0.00 177.57 176.27 1lr1 h ASN 37 N 0.02 0.36 0.10 4.19 -1.24 0.31 5.94 115.58 125.26 1lr1 h ASN 37 Ca -0.22 0.22 -0.24 0.00 0.71 0.00 0.00 56.30 56.77 1lr1 h ASN 37 Cb 1.96 0.21 -0.00 0.00 0.73 0.00 0.00 38.32 41.21 1lr1 h ASN 37 CO 0.12 -0.23 -1.20 -0.33 -1.29 0.00 0.00 177.43 174.49 1lr1 h GLU 38 N 0.21 0.20 0.30 6.67 5.08 -1.42 -3.30 114.58 122.32 1lr1 h GLU 38 Ca 0.74 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1lr1 h GLU 38 Cb 1.76 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1lr1 h GLU 38 CO -0.67 1.17 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.27 1lr1 h ARG 39 N -0.45 -0.39 -1.06 2.33 1.12 0.35 -1.58 114.38 114.70 1lr1 h ARG 39 Ca -0.26 0.03 0.38 0.00 -1.11 0.00 0.00 59.98 59.02 1lr1 h ARG 39 Cb 1.63 0.09 -0.16 0.00 -0.01 0.00 0.00 29.97 31.52 1lr1 h ARG 39 CO 0.04 -0.18 0.61 -0.09 -3.11 0.00 0.00 179.97 177.24 1lr1 h ARG 40 N -1.07 0.14 0.07 0.20 1.12 1.17 1.52 114.38 117.53 1lr1 h ARG 40 Ca -0.04 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.64 1lr1 h ARG 40 Cb 0.40 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1lr1 h ARG 40 CO 0.07 0.09 -0.92 0.93 -3.11 0.00 0.00 179.97 177.03 1lr1 h GLU 41 N 0.14 0.16 0.16 0.20 5.08 -1.60 -3.30 114.58 115.42 1lr1 h GLU 41 Ca 0.80 -0.27 -0.30 0.00 -1.00 0.00 0.00 59.36 58.60 1lr1 h GLU 41 Cb 2.09 0.10 0.03 0.00 0.50 0.00 0.00 28.75 31.47 1lr1 h GLU 41 CO -0.64 1.13 -1.25 1.49 -1.00 0.00 0.00 179.01 178.74 1lr1 h GLU 42 N -0.60 0.57 -0.33 2.33 4.57 -0.19 -3.17 114.58 117.77 1lr1 h GLU 42 Ca -0.20 -0.82 0.05 0.00 -1.18 0.00 0.00 59.36 57.21 1lr1 h GLU 42 Cb 1.48 0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 30.30 1lr1 h GLU 42 CO 0.02 1.38 0.03 1.49 -1.18 0.00 0.00 179.01 180.75 1lr1 h GLU 43 N 0.17 0.13 -0.80 1.92 4.57 0.19 0.26 114.58 121.03 1lr1 h GLU 43 Ca -0.20 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.03 1lr1 h GLU 43 Cb 1.94 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.45 1lr1 h GLU 43 CO 0.24 0.09 0.52 1.03 -1.18 0.00 0.00 179.01 179.71 1lr1 h SER 44 N 0.14 0.79 -0.83 1.04 0.87 -1.67 0.99 113.55 114.88 1lr1 h SER 44 Ca 0.16 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1lr1 h SER 44 Cb 0.20 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 1lr1 h SER 44 CO -0.24 0.52 0.38 0.00 -0.53 0.00 0.00 176.83 176.96 1lr1 h ALA 45 N 1.56 1.10 -0.70 6.23 0.00 -0.90 -0.81 119.26 125.73 1lr1 h ALA 45 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1lr1 h ALA 45 Cb 0.18 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1lr1 h ALA 45 CO -0.11 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.12 1lr1 h ALA 46 N 1.22 0.91 -0.55 0.00 0.00 0.18 -0.90 119.26 120.11 1lr1 h ALA 46 Ca 0.28 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1lr1 h ALA 46 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1lr1 h ALA 46 CO -0.03 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.62 1lr1 h ALA 47 N 1.15 0.76 -0.38 0.00 0.00 -0.75 -2.75 119.26 117.29 1lr1 h ALA 47 Ca 0.24 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1lr1 h ALA 47 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1lr1 h ALA 47 CO -0.03 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1lr1 h ALA 48 N 0.94 0.51 0.00 0.00 0.00 -0.85 -2.86 119.26 117.00 1lr1 h ALA 48 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1lr1 h ALA 48 Cb 0.66 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1lr1 h ALA 48 CO 0.05 0.25 -0.15 1.05 0.00 0.00 0.00 179.25 180.44 1lr1 h GLU 49 N 0.49 0.00 -0.82 0.00 4.11 -1.13 -2.98 114.58 114.25 1lr1 h GLU 49 Ca 0.11 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.74 1lr1 h GLU 49 Cb 0.40 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 1lr1 h GLU 49 CO 0.01 0.15 0.25 0.28 0.07 0.00 0.00 179.01 179.77 1lr1 h VAL 50 N 0.00 0.46 -1.32 -1.06 2.07 -1.24 -3.44 116.25 111.73 1lr1 h VAL 50 Ca -0.00 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1lr1 h VAL 50 Cb 0.35 0.13 -0.29 0.00 -1.52 0.00 0.00 31.29 29.96 1lr1 h VAL 50 CO 0.02 0.05 0.69 -1.83 0.02 0.00 0.00 177.57 176.53 1lr1 s GLU 51 N -5.98 0.28 0.00 1.57 -1.05 -1.12 -5.08 118.70 107.32 1lr1 s GLU 51 Ca -0.12 0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1lr1 s GLU 51 Cb 0.23 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1lr1 s GLU 51 CO 0.77 -0.04 0.00 -1.91 0.95 0.00 0.00 175.26 175.02 1lr1 n GLU 52 N 1.66 0.00 -2.66 -4.83 2.13 -1.26 -4.85 120.64 110.83 1lr1 n GLU 52 Ca -0.10 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.68 1lr1 n GLU 52 Cb 0.57 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.30 1lr1 n GLU 52 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1lr1 n ARG 53 N -2.29 0.19 -3.64 5.31 0.63 -1.26 -5.15 116.66 110.45 1lr1 n ARG 53 Ca 0.00 -0.73 -0.06 0.00 -0.92 0.00 0.00 57.85 56.15 1lr1 n ARG 53 Cb 0.00 -0.05 -0.07 0.00 0.45 0.00 0.00 32.46 32.79 1lr1 n ARG 53 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1lr1 s THR 54 N 0.04 0.00 -0.21 5.15 -1.32 -1.26 -5.06 115.64 112.97 1lr1 s THR 54 Ca 0.08 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.61 1lr1 s THR 54 Cb 0.13 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.28 1lr1 s THR 54 CO -0.07 0.00 1.00 -2.11 -2.21 0.00 0.00 174.62 171.23 1lr1 n ARG 55 N 2.96 0.50 0.00 7.08 0.00 -1.26 -4.96 116.66 120.99 1lr1 n ARG 55 Ca -0.15 -0.68 0.00 0.00 -0.00 0.00 0.00 57.85 57.02 1lr1 n ARG 55 Cb 0.57 0.10 0.00 0.00 -0.00 0.00 0.00 32.46 33.12 1lr1 n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1lr1 n LYS 56 N -0.58 0.00 0.00 2.89 5.02 -1.26 -5.28 118.16 118.95 1lr1 n LYS 56 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1lr1 n LYS 56 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 1lr1 n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77