#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr8 n GLY 2 N 0.00 2.28 0.20 0.23 0.00 -1.26 -3.83 105.19 102.81 1qr8 n GLY 2 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1qr8 n GLY 2 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qr8 h ILE 3 N 0.00 0.79 -0.00 -0.61 5.03 -2.07 -2.99 117.51 117.66 1qr8 h ILE 3 Ca 0.00 -1.32 -0.19 0.00 -0.12 0.00 0.00 64.86 63.23 1qr8 h ILE 3 Cb 0.00 1.82 -0.01 0.00 -3.03 0.00 0.00 36.82 35.60 1qr8 h ILE 3 CO 0.00 0.31 -0.85 0.58 -0.68 0.00 0.00 178.15 177.51 1qr8 h VAL 4 N 0.00 1.50 0.00 1.67 2.07 -2.01 -2.93 116.25 116.55 1qr8 h VAL 4 Ca -0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1qr8 h VAL 4 Cb 0.80 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1qr8 h VAL 4 CO 0.04 0.76 0.00 0.00 0.02 0.00 0.00 177.57 178.39 1qr8 n GLN 5 N -3.66 0.08 -0.03 1.57 1.13 -1.13 -2.38 117.38 112.95 1qr8 n GLN 5 Ca -0.03 0.20 -0.20 0.00 -1.94 0.00 0.00 57.00 55.02 1qr8 n GLN 5 Cb 0.79 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.51 1qr8 n GLN 5 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1qr8 n GLN 6 N -1.43 0.73 0.03 -1.09 1.13 -1.12 -3.69 117.38 111.95 1qr8 n GLN 6 Ca 0.05 0.23 0.08 0.00 -1.94 0.00 0.00 57.00 55.42 1qr8 n GLN 6 Cb 0.16 -1.66 0.35 0.00 0.11 0.00 0.00 30.24 29.20 1qr8 n GLN 6 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1qr8 n GLN 7 N -3.42 0.05 0.06 -1.09 6.02 -1.00 -0.79 117.38 117.20 1qr8 n GLN 7 Ca -0.35 0.29 -0.23 0.00 -0.01 0.00 0.00 57.00 56.70 1qr8 n GLN 7 Cb 1.03 -1.59 -0.15 0.00 1.02 0.00 0.00 30.24 30.56 1qr8 n GLN 7 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1qr8 h ASN 8 N 0.00 0.57 -0.34 1.08 -0.00 -1.65 -2.97 115.58 112.27 1qr8 h ASN 8 Ca 0.00 -0.94 -0.08 0.00 -0.00 0.00 0.00 56.30 55.28 1qr8 h ASN 8 Cb 0.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.40 1qr8 h ASN 8 CO 0.00 1.80 -0.12 0.78 -0.00 0.00 0.00 177.43 179.89 1qr8 h ASN 9 N 0.07 0.69 -0.62 1.15 2.35 -1.49 0.24 115.58 117.98 1qr8 h ASN 9 Ca -0.36 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 54.99 1qr8 h ASN 9 Cb 2.07 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 40.22 1qr8 h ASN 9 CO 0.15 0.92 0.34 -0.07 -1.65 0.00 0.00 177.43 177.12 1qr8 h LEU 10 N 0.46 0.79 -0.29 1.61 3.38 -1.10 0.38 115.31 120.54 1qr8 h LEU 10 Ca 0.08 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1qr8 h LEU 10 Cb 0.63 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1qr8 h LEU 10 CO 0.04 0.65 -0.69 0.25 0.09 0.00 0.00 178.44 178.78 1qr8 h LEU 11 N 0.89 0.81 -0.84 1.67 5.85 -1.33 -2.41 115.31 119.96 1qr8 h LEU 11 Ca 0.23 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1qr8 h LEU 11 Cb 0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1qr8 h LEU 11 CO -0.04 1.27 0.04 0.03 -0.34 0.00 0.00 178.44 179.41 1qr8 h ARG 12 N 0.50 0.91 -0.33 1.25 3.08 -0.31 -0.99 114.38 118.48 1qr8 h ARG 12 Ca -0.03 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1qr8 h ARG 12 Cb 1.29 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1qr8 h ARG 12 CO 0.14 0.88 -0.18 0.00 -1.07 0.00 0.00 179.97 179.73 1qr8 h ALA 13 N 1.19 1.08 -0.28 0.04 0.00 -0.87 -1.94 119.26 118.48 1qr8 h ALA 13 Ca 0.17 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1qr8 h ALA 13 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qr8 h ALA 13 CO 0.02 0.56 -0.46 0.82 0.00 0.00 0.00 179.25 180.19 1qr8 h ILE 14 N 0.54 1.29 -0.63 0.00 2.04 -1.09 -1.40 117.51 118.26 1qr8 h ILE 14 Ca 0.09 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 1qr8 h ILE 14 Cb 0.61 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1qr8 h ILE 14 CO 0.04 0.54 0.22 -0.33 0.00 0.00 0.00 178.15 178.62 1qr8 h GLU 15 N 0.58 0.93 -0.01 2.37 5.08 -1.01 -1.70 114.58 120.82 1qr8 h GLU 15 Ca 0.02 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.00 1qr8 h GLU 15 Cb 1.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1qr8 h GLU 15 CO 0.11 0.78 -0.91 0.00 -1.00 0.00 0.00 179.01 177.99 1qr8 h ALA 16 N 1.33 0.39 -0.66 3.43 0.00 -1.28 -3.03 119.26 119.45 1qr8 h ALA 16 Ca 0.21 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1qr8 h ALA 16 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1qr8 h ALA 16 CO -0.01 0.80 0.30 1.96 0.00 0.00 0.00 179.25 182.30 1qr8 h GLN 17 N 0.25 0.94 -0.22 0.00 4.20 -0.99 -1.26 115.11 118.02 1qr8 h GLN 17 Ca -0.07 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1qr8 h GLN 17 Cb 1.54 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 1qr8 h GLN 17 CO 0.16 0.73 -0.04 0.37 -0.67 0.00 0.00 178.83 179.39 1qr8 h GLN 18 N 0.93 0.33 -0.04 1.46 5.75 -1.24 0.17 115.11 122.46 1qr8 h GLN 18 Ca 0.23 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.52 1qr8 h GLN 18 Cb 0.12 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1qr8 h GLN 18 CO -0.03 0.39 -0.63 0.45 -2.65 0.00 0.00 178.83 176.36 1qr8 h HIS 19 N 0.32 0.22 -0.09 3.99 3.86 -1.14 -1.02 115.15 121.29 1qr8 h HIS 19 Ca 0.07 -0.09 -0.19 0.00 -1.16 0.00 0.00 60.37 59.00 1qr8 h HIS 19 Cb 0.28 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1qr8 h HIS 19 CO 0.01 0.75 -0.75 -0.07 0.86 0.00 0.00 177.93 178.73 1qr8 h LEU 20 N 0.12 0.58 -0.45 2.43 3.38 -0.53 -2.46 115.31 118.38 1qr8 h LEU 20 Ca -0.01 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1qr8 h LEU 20 Cb 1.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1qr8 h LEU 20 CO 0.09 1.14 0.04 0.25 0.09 0.00 0.00 178.44 180.05 1qr8 h LEU 21 N 0.33 0.75 -1.15 1.67 7.12 -0.48 -2.05 115.31 121.51 1qr8 h LEU 21 Ca -0.04 -0.28 -0.03 0.00 0.13 0.00 0.00 57.88 57.66 1qr8 h LEU 21 Cb 1.33 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1qr8 h LEU 21 CO 0.13 0.85 -0.15 1.56 -0.13 0.00 0.00 178.44 180.71 1qr8 h GLN 22 N 0.63 0.00 -0.02 1.25 4.20 -1.19 -2.45 115.11 117.53 1qr8 h GLN 22 Ca 0.13 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.59 1qr8 h GLN 22 Cb 0.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.24 1qr8 h GLN 22 CO 0.02 0.15 -1.00 -0.07 -0.67 0.00 0.00 178.83 177.26 1qr8 h LEU 23 N 0.00 0.88 -0.77 1.46 3.38 -1.07 -2.85 115.31 116.34 1qr8 h LEU 23 Ca -0.00 -0.69 -0.13 0.00 0.09 0.00 0.00 57.88 57.15 1qr8 h LEU 23 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1qr8 h LEU 23 CO 0.02 1.49 -0.58 0.71 0.09 0.00 0.00 178.44 180.16 1qr8 h THR 24 N 0.40 1.40 -0.28 0.22 1.35 -1.23 -1.98 112.91 112.80 1qr8 h THR 24 Ca -0.11 -1.97 -0.14 0.00 -0.55 0.00 0.00 66.41 63.63 1qr8 h THR 24 Cb 1.64 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 70.09 1qr8 h THR 24 CO 0.19 0.57 -0.41 0.58 -0.25 0.00 0.00 175.52 176.21 1qr8 h VAL 25 N 0.07 1.29 -0.58 6.82 2.07 -1.48 -0.37 116.25 124.08 1qr8 h VAL 25 Ca -0.00 -1.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 1qr8 h VAL 25 Cb 1.05 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1qr8 h VAL 25 CO 0.08 0.51 -0.05 -0.09 0.02 0.00 0.00 177.57 178.04 1qr8 h ARG 26 N 0.55 1.06 -0.70 1.57 2.43 -1.36 -0.08 114.38 117.85 1qr8 h ARG 26 Ca 0.04 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1qr8 h ARG 26 Cb 0.94 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1qr8 h ARG 26 CO 0.09 1.06 0.15 0.78 -1.51 0.00 0.00 179.97 180.54 1qr8 h GLY 27 N 0.95 1.21 0.96 2.80 0.00 -1.06 -1.83 103.07 106.10 1qr8 h GLY 27 Ca 0.16 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1qr8 h GLY 27 CO 0.04 0.72 -0.07 -2.22 0.00 0.00 0.00 176.54 175.01 1qr8 h ILE 28 N 1.06 1.27 -0.75 2.60 2.04 -0.80 -2.78 117.51 120.15 1qr8 h ILE 28 Ca 0.22 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1qr8 h ILE 28 Cb 0.39 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1qr8 h ILE 28 CO 0.01 0.38 0.48 0.11 0.00 0.00 0.00 178.15 179.12 1qr8 h LYS 29 N 0.54 0.92 0.00 2.37 6.56 -0.75 -0.65 116.57 125.56 1qr8 h LYS 29 Ca 0.10 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1qr8 h LYS 29 Cb 0.58 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1qr8 h LYS 29 CO 0.03 0.61 -0.11 0.37 -2.06 0.00 0.00 179.45 178.29 1qr8 h GLN 30 N 0.94 0.00 0.17 3.15 4.15 -1.30 -1.68 115.11 120.55 1qr8 h GLN 30 Ca 0.30 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.41 1qr8 h GLN 30 Cb -0.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.70 1qr8 h GLN 30 CO -0.10 0.11 -1.33 -0.07 -1.93 0.00 0.00 178.83 175.51 1qr8 h LEU 31 N 0.00 0.66 -0.18 -2.39 3.38 -0.95 -2.97 115.31 112.86 1qr8 h LEU 31 Ca -0.00 -0.68 -0.14 0.00 0.09 0.00 0.00 57.88 57.14 1qr8 h LEU 31 Cb 0.61 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qr8 h LEU 31 CO 0.01 1.53 -0.44 1.56 0.09 0.00 0.00 178.44 181.19 1qr8 h GLN 32 N 0.14 0.63 0.18 1.13 4.20 -1.01 -3.33 115.11 117.04 1qr8 h GLN 32 Ca -0.19 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1qr8 h GLN 32 Cb 2.03 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.84 1qr8 h GLN 32 CO 0.24 1.04 -0.43 0.00 -0.67 0.00 0.00 178.83 179.01 1qr8 h ALA 33 N 0.58 -0.96 0.00 3.87 0.00 -1.39 -3.20 119.26 118.16 1qr8 h ALA 33 Ca -0.00 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 54.12 1qr8 h ALA 33 Cb 1.05 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1qr8 h ALA 33 CO 0.10 -1.05 2.93 0.54 0.00 0.00 0.00 179.25 181.77 1qr8 n ARG 34 N -4.94 2.49 0.00 0.00 1.74 -1.12 -2.32 116.66 112.52 1qr8 n ARG 34 Ca -0.08 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 1qr8 n ARG 34 Cb 0.35 -3.12 0.00 0.00 -1.02 0.00 0.00 32.46 28.67 1qr8 n ARG 34 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qr8 n SER 35 N 6.25 0.00 0.00 0.55 3.41 -1.21 -4.95 113.62 117.67 1qr8 n SER 35 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1qr8 n SER 35 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1qr8 n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qr8 n GLY 36 N 0.00 1.53 2.98 5.00 0.00 -0.98 -4.98 105.19 108.73 1qr8 n GLY 36 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1qr8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qr8 n GLY 37 N 0.00 0.35 2.85 -0.02 0.00 -1.26 -4.41 105.19 102.70 1qr8 n GLY 37 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1qr8 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr8 n ARG 38 N 0.00 0.00 -0.10 1.61 5.12 -1.26 -4.80 116.66 117.22 1qr8 n ARG 38 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1qr8 n ARG 38 Cb 0.00 -2.20 -0.14 0.00 -1.16 0.00 0.00 32.46 28.97 1qr8 n ARG 38 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qr8 n GLY 39 N -2.00 -0.71 0.45 -0.13 0.00 -1.26 -4.29 105.19 97.25 1qr8 n GLY 39 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1qr8 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qr8 n GLY 40 N 2.02 -0.08 1.31 -0.02 0.00 -1.26 -3.72 105.19 103.44 1qr8 n GLY 40 Ca -0.35 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.32 1qr8 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qr8 n TRP 41 N 0.07 1.06 -0.22 1.61 8.01 -1.26 -4.46 117.44 122.24 1qr8 n TRP 41 Ca 0.18 -0.48 -0.04 0.00 -1.31 0.00 0.00 57.50 55.85 1qr8 n TRP 41 Cb 0.36 -0.08 0.07 0.00 -2.01 0.00 0.00 31.31 29.65 1qr8 n TRP 41 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 1qr8 h MET 42 N 3.81 0.73 -0.25 -0.99 2.86 -1.79 -1.20 114.93 118.10 1qr8 h MET 42 Ca 0.00 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1qr8 h MET 42 Cb 1.05 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1qr8 h MET 42 CO 0.08 0.48 -0.34 1.49 1.06 0.00 0.00 176.91 179.68 1qr8 h GLU 43 N 0.75 0.53 -0.50 1.72 4.57 -1.90 -2.38 114.58 117.37 1qr8 h GLU 43 Ca 0.26 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1qr8 h GLU 43 Cb 0.05 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1qr8 h GLU 43 CO -0.12 0.81 0.22 2.35 -1.18 0.00 0.00 179.01 181.08 1qr8 h TRP 44 N 0.45 0.75 -0.65 0.92 7.01 -1.71 -2.40 115.95 120.32 1qr8 h TRP 44 Ca 0.05 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1qr8 h TRP 44 Cb 0.81 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 1qr8 h TRP 44 CO 0.03 0.61 0.34 -0.44 -2.79 0.00 0.00 178.44 176.19 1qr8 h ASP 45 N 0.67 0.83 -0.47 2.65 3.32 -1.10 -2.04 116.42 120.29 1qr8 h ASP 45 Ca 0.17 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1qr8 h ASP 45 Cb 0.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1qr8 h ASP 45 CO -0.02 0.71 0.21 -0.09 -1.72 0.00 0.00 179.24 178.34 1qr8 h ARG 46 N 0.89 0.41 -0.63 3.56 2.43 -1.11 0.21 114.38 120.14 1qr8 h ARG 46 Ca 0.23 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1qr8 h ARG 46 Cb 0.08 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1qr8 h ARG 46 CO -0.03 0.27 0.08 0.93 -1.51 0.00 0.00 179.97 179.71 1qr8 h GLU 47 N 0.42 1.06 -0.15 0.20 5.08 -1.23 -1.24 114.58 118.72 1qr8 h GLU 47 Ca 0.21 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1qr8 h GLU 47 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1qr8 h GLU 47 CO -0.17 0.99 0.07 0.82 -1.00 0.00 0.00 179.01 179.72 1qr8 h ILE 48 N 0.97 1.14 -0.18 3.13 1.08 -0.90 -1.49 117.51 121.26 1qr8 h ILE 48 Ca 0.19 -0.43 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1qr8 h ILE 48 Cb 0.46 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1qr8 h ILE 48 CO 0.02 0.13 0.03 0.78 -0.69 0.00 0.00 178.15 178.42 1qr8 h ASN 49 N 0.10 0.01 -0.80 1.72 -0.26 -0.84 -0.33 115.58 115.17 1qr8 h ASN 49 Ca 0.05 0.03 0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1qr8 h ASN 49 Cb 0.15 0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.40 1qr8 h ASN 49 CO -0.00 0.03 0.50 0.78 -1.06 0.00 0.00 177.43 177.68 1qr8 h ASN 50 N 0.11 0.82 0.81 5.81 4.21 -1.11 -0.54 115.58 125.69 1qr8 h ASN 50 Ca 0.08 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.45 1qr8 h ASN 50 Cb 0.07 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1qr8 h ASN 50 CO -0.11 0.56 -0.68 1.88 -1.29 0.00 0.00 177.43 177.79 1qr8 h TYR 51 N 0.97 0.00 -0.13 1.19 0.05 -1.00 -2.07 116.97 115.99 1qr8 h TYR 51 Ca 0.33 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.94 1qr8 h TYR 51 Cb 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1qr8 h TYR 51 CO -0.03 0.68 -0.62 1.15 -1.05 0.00 0.00 178.16 178.28 1qr8 h THR 52 N 0.00 1.35 -0.48 -2.88 2.02 -0.56 -2.28 112.91 110.08 1qr8 h THR 52 Ca -0.01 -1.94 -0.11 0.00 0.77 0.00 0.00 66.41 65.12 1qr8 h THR 52 Cb 1.26 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1qr8 h THR 52 CO 0.09 0.59 -0.12 0.28 0.37 0.00 0.00 175.52 176.73 1qr8 h SER 53 N 0.34 0.93 -0.73 4.18 0.02 -0.98 -1.34 113.55 115.97 1qr8 h SER 53 Ca -0.01 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 1qr8 h SER 53 Cb 1.17 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 1qr8 h SER 53 CO 0.11 1.08 0.19 -0.07 -1.14 0.00 0.00 176.83 177.00 1qr8 h LEU 54 N 0.77 1.09 -0.24 5.07 4.07 -1.28 -2.16 115.31 122.64 1qr8 h LEU 54 Ca 0.12 -0.23 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1qr8 h LEU 54 Cb 0.67 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1qr8 h LEU 54 CO 0.05 1.03 -0.11 0.40 -1.08 0.00 0.00 178.44 178.73 1qr8 h ILE 55 N 1.10 1.30 -0.93 1.22 2.04 -1.27 -1.48 117.51 119.49 1qr8 h ILE 55 Ca 0.23 -1.17 0.06 0.00 1.00 0.00 0.00 64.86 64.97 1qr8 h ILE 55 Cb 0.35 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1qr8 h ILE 55 CO -0.00 0.36 0.60 0.45 0.00 0.00 0.00 178.15 179.57 1qr8 h HIS 56 N 0.21 1.09 -0.53 1.37 3.86 -1.16 0.22 115.15 120.22 1qr8 h HIS 56 Ca 0.05 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 1qr8 h HIS 56 Cb 0.60 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1qr8 h HIS 56 CO 0.06 0.59 -0.13 0.77 0.86 0.00 0.00 177.93 180.08 1qr8 h SER 57 N 1.09 1.03 -0.49 2.45 0.02 -1.24 -1.11 113.55 115.30 1qr8 h SER 57 Ca 0.39 -0.35 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1qr8 h SER 57 Cb 0.14 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1qr8 h SER 57 CO -0.14 1.15 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.58 1qr8 h LEU 58 N 0.90 0.90 -0.37 5.07 4.07 -0.13 -2.30 115.31 123.45 1qr8 h LEU 58 Ca 0.13 -0.33 -0.08 0.00 0.08 0.00 0.00 57.88 57.68 1qr8 h LEU 58 Cb 0.70 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1qr8 h LEU 58 CO 0.05 1.02 -0.09 0.40 -1.08 0.00 0.00 178.44 178.74 1qr8 h ILE 59 N 0.76 1.28 -0.62 1.22 2.04 -0.51 -2.49 117.51 119.19 1qr8 h ILE 59 Ca 0.13 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1qr8 h ILE 59 Cb 0.59 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1qr8 h ILE 59 CO 0.04 0.38 0.33 -0.33 0.00 0.00 0.00 178.15 178.57 1qr8 h GLU 60 N 0.51 0.87 0.00 2.37 5.08 -1.15 -0.20 114.58 122.06 1qr8 h GLU 60 Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1qr8 h GLU 60 Cb 0.60 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1qr8 h GLU 60 CO 0.04 0.67 -0.09 1.05 -1.00 0.00 0.00 179.01 179.68 1qr8 h GLU 61 N 0.84 0.00 0.16 2.33 4.11 -1.41 -1.67 114.58 118.93 1qr8 h GLU 61 Ca 0.22 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.33 1qr8 h GLU 61 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1qr8 h GLU 61 CO -0.03 0.09 -1.54 0.77 0.07 0.00 0.00 179.01 178.37 1qr8 h SER 62 N 0.00 0.52 -0.58 3.06 0.02 -0.96 -3.29 113.55 112.32 1qr8 h SER 62 Ca -0.00 -0.68 -0.08 0.00 -0.84 0.00 0.00 61.79 60.19 1qr8 h SER 62 Cb 0.68 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1qr8 h SER 62 CO 0.01 1.56 0.06 1.56 -1.14 0.00 0.00 176.83 178.88 1qr8 h GLN 63 N 0.09 0.98 0.00 3.45 4.20 -0.90 -3.31 115.11 119.62 1qr8 h GLN 63 Ca -0.25 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1qr8 h GLN 63 Cb 2.06 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.73 1qr8 h GLN 63 CO 0.19 0.95 0.00 0.09 -0.67 0.00 0.00 178.83 179.39 1qr8 n ASN 64 N -4.29 0.00 -2.18 1.46 4.13 -0.64 -3.62 115.26 110.13 1qr8 n ASN 64 Ca 0.03 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.16 1qr8 n ASN 64 Cb 0.30 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.40 1qr8 n ASN 64 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1qr8 n GLN 65 N 0.00 1.84 -0.00 3.52 -0.06 -1.24 -3.16 117.38 118.27 1qr8 n GLN 65 Ca 0.00 -0.95 0.06 0.00 -2.00 0.00 0.00 57.00 54.10 1qr8 n GLN 65 Cb 0.00 -1.99 -0.08 0.00 -4.06 0.00 0.00 30.24 24.10 1qr8 n GLN 65 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1qr8 n GLN 66 N 2.68 0.95 0.22 3.69 7.27 -1.24 -4.31 117.38 126.64 1qr8 n GLN 66 Ca 0.40 -0.08 0.13 0.00 0.07 0.00 0.00 57.00 57.51 1qr8 n GLN 66 Cb 0.73 -1.22 0.28 0.00 2.41 0.00 0.00 30.24 32.44 1qr8 n GLN 66 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1qr8 h GLU 67 N 0.00 0.00 -0.00 3.69 5.08 -1.75 -3.52 114.58 118.07 1qr8 h GLU 67 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qr8 h GLU 67 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1qr8 h GLU 67 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18