#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n VAL 2 N 0.00 1.77 -3.75 1.08 0.31 -1.26 -4.06 118.33 112.41 1q81 n VAL 2 Ca 0.00 0.54 -0.30 0.00 -0.01 0.00 0.00 64.34 64.57 1q81 n VAL 2 Cb 0.00 -1.53 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 1q81 n VAL 2 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1q81 s LEU 3 N -3.32 2.26 0.49 7.52 2.96 -1.26 -5.13 118.68 122.20 1q81 s LEU 3 Ca -0.00 -1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 52.24 1q81 s LEU 3 Cb 0.02 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 1q81 s LEU 3 CO 0.05 -0.40 0.85 -1.00 -1.32 0.00 0.00 176.35 174.53 1q81 s HIS 4 N 1.60 3.54 0.26 5.38 3.76 -1.26 -4.98 115.29 123.59 1q81 s HIS 4 Ca 0.08 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 56.00 1q81 s HIS 4 Cb -0.17 -2.48 0.33 0.00 1.11 0.00 0.00 32.58 31.37 1q81 s HIS 4 CO -0.22 -0.32 1.91 0.28 -0.85 0.00 0.00 174.74 175.53 1q81 h VAL 5 N 0.44 1.18 0.95 -0.90 2.07 -1.99 -1.85 116.25 116.15 1q81 h VAL 5 Ca -0.46 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1q81 h VAL 5 Cb 1.19 -0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1q81 h VAL 5 CO 0.62 0.23 -0.46 1.56 0.02 0.00 0.00 177.57 179.55 1q81 h GLN 6 N 1.28 -1.23 -0.95 1.57 4.20 -1.98 -2.19 115.11 115.80 1q81 h GLN 6 Ca 0.40 0.08 0.28 0.00 0.06 0.00 0.00 58.65 59.47 1q81 h GLN 6 Cb -0.00 0.28 -0.14 0.00 0.30 0.00 0.00 27.48 27.91 1q81 h GLN 6 CO -0.12 -0.82 0.43 0.93 -0.67 0.00 0.00 178.83 178.57 1q81 h GLU 7 N -1.29 0.29 -0.37 1.46 5.08 -1.92 0.20 114.58 118.03 1q81 h GLU 7 Ca -0.13 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1q81 h GLU 7 Cb 0.98 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1q81 h GLU 7 CO 0.21 0.19 -0.10 0.82 -1.00 0.00 0.00 179.01 179.14 1q81 h ILE 8 N 0.30 1.24 -0.00 3.13 2.04 -1.03 -2.53 117.51 120.67 1q81 h ILE 8 Ca 0.65 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1q81 h ILE 8 Cb 1.38 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1q81 h ILE 8 CO -0.61 0.36 -0.20 0.54 0.00 0.00 0.00 178.15 178.23 1q81 n ARG 9 N -4.19 0.02 -0.04 2.37 1.74 0.54 -2.97 116.66 114.14 1q81 n ARG 9 Ca 0.01 -0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.21 1q81 n ARG 9 Cb 0.34 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.73 1q81 n ARG 9 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1q81 n ASP 10 N -1.48 1.61 -4.94 0.55 8.00 -0.19 -4.89 116.55 115.21 1q81 n ASP 10 Ca 0.07 -1.60 -0.24 0.00 0.71 0.00 0.00 54.79 53.72 1q81 n ASP 10 Cb 0.34 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1q81 n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1q81 s MET 11 N -1.90 2.78 0.05 -1.24 -1.94 -1.16 -5.06 119.30 110.83 1q81 s MET 11 Ca 0.35 -0.34 -0.01 0.00 -1.71 0.00 0.00 55.69 53.98 1q81 s MET 11 Cb 0.19 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.61 1q81 s MET 11 CO 0.30 -0.66 0.22 -0.08 -0.01 0.00 0.00 175.02 174.79 1q81 s THR 12 N -2.86 5.38 0.34 2.05 -1.32 -1.26 -4.91 115.64 113.06 1q81 s THR 12 Ca 0.54 -0.31 0.22 0.00 -1.21 0.00 0.00 61.69 60.93 1q81 s THR 12 Cb -0.10 -3.61 0.36 0.00 -1.51 0.00 0.00 72.50 67.63 1q81 s THR 12 CO 0.42 0.17 1.31 -2.65 -2.21 0.00 0.00 174.62 171.65 1q81 n PRO 13 N 0.40 -0.04 -0.00 7.08 -0.02 -1.26 0.17 135.00 141.32 1q81 n PRO 13 Ca -0.06 1.09 -0.11 0.00 -2.02 0.00 0.00 63.50 62.40 1q81 n PRO 13 Cb 0.51 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1q81 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q81 h ALA 14 N 1.48 0.61 -0.60 3.55 0.00 -1.92 -2.86 119.26 119.51 1q81 h ALA 14 Ca 0.72 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1q81 h ALA 14 Cb 2.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1q81 h ALA 14 CO -0.51 0.70 0.03 0.93 0.00 0.00 0.00 179.25 180.40 1q81 h GLU 15 N 0.45 1.03 -0.16 0.00 5.08 0.13 0.59 114.58 121.70 1q81 h GLU 15 Ca -0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1q81 h GLU 15 Cb 1.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1q81 h GLU 15 CO 0.12 0.99 0.10 0.00 -1.00 0.00 0.00 179.01 179.22 1q81 h ARG 16 N 0.95 0.22 -0.16 2.33 3.08 -1.41 0.54 114.38 119.94 1q81 h ARG 16 Ca 0.18 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1q81 h ARG 16 Cb 0.50 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1q81 h ARG 16 CO 0.02 0.18 -0.17 0.93 -1.07 0.00 0.00 179.97 179.86 1q81 h GLU 17 N 0.20 0.27 -0.04 0.04 5.08 -1.27 0.61 114.58 119.47 1q81 h GLU 17 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1q81 h GLU 17 Cb 0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1q81 h GLU 17 CO -0.01 0.44 -0.03 0.00 -1.00 0.00 0.00 179.01 178.41 1q81 h ALA 18 N 1.58 0.06 -0.73 3.43 0.00 -0.25 -2.70 119.26 120.65 1q81 h ALA 18 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1q81 h ALA 18 Cb 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1q81 h ALA 18 CO 0.03 -0.19 0.39 1.49 0.00 0.00 0.00 179.25 180.97 1q81 h GLU 19 N -0.33 1.02 0.94 0.00 4.57 0.63 -2.29 114.58 119.11 1q81 h GLU 19 Ca 0.01 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1q81 h GLU 19 Cb 0.49 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1q81 h GLU 19 CO 0.01 0.75 -0.46 1.25 -1.18 0.00 0.00 179.01 179.38 1q81 h LEU 20 N 1.02 -1.10 -2.01 1.64 5.85 0.24 -0.79 115.31 120.16 1q81 h LEU 20 Ca 0.26 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.15 1q81 h LEU 20 Cb 0.04 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1q81 h LEU 20 CO -0.04 -0.77 0.42 0.44 -0.34 0.00 0.00 178.44 178.15 1q81 h ASP 21 N -1.28 0.00 0.13 1.25 3.32 -1.41 0.85 116.42 119.28 1q81 h ASP 21 Ca -0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1q81 h ASP 21 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1q81 h ASP 21 CO 0.21 0.00 -0.06 0.44 -1.72 0.00 0.00 179.24 178.11 1q81 h ASP 22 N 0.00 -0.14 -0.48 6.45 3.32 -0.81 -2.64 116.42 122.12 1q81 h ASP 22 Ca 0.22 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1q81 h ASP 22 Cb 1.06 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1q81 h ASP 22 CO -0.00 0.31 0.29 -0.07 -1.72 0.00 0.00 179.24 178.05 1q81 h LEU 23 N -0.64 0.57 -0.89 1.55 3.38 0.42 -1.06 115.31 118.64 1q81 h LEU 23 Ca -0.02 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1q81 h LEU 23 Cb 0.49 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1q81 h LEU 23 CO 0.03 0.46 0.52 0.11 0.09 0.00 0.00 178.44 179.65 1q81 h LYS 24 N 0.63 0.80 -0.22 1.13 1.57 -0.97 0.21 116.57 119.73 1q81 h LYS 24 Ca 0.17 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 1q81 h LYS 24 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1q81 h LYS 24 CO -0.03 0.53 -0.59 1.15 -0.57 0.00 0.00 179.45 179.94 1q81 h THR 25 N 0.83 1.30 0.10 -0.16 2.02 -1.07 0.87 112.91 116.80 1q81 h THR 25 Ca 0.45 -1.82 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1q81 h THR 25 Cb 0.48 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1q81 h THR 25 CO -0.28 0.58 -0.05 -0.08 0.37 0.00 0.00 175.52 176.06 1q81 h GLU 26 N 0.53 -0.13 -0.50 6.66 4.81 0.11 -0.78 114.58 125.28 1q81 h GLU 26 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1q81 h GLU 26 Cb 1.18 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 1q81 h GLU 26 CO 0.12 -0.04 0.15 1.25 -0.73 0.00 0.00 179.01 179.76 1q81 h LEU 27 N -0.19 0.12 -0.99 1.64 5.85 -0.56 0.48 115.31 121.66 1q81 h LEU 27 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1q81 h LEU 27 Cb 0.15 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1q81 h LEU 27 CO 0.02 0.10 0.66 0.25 -0.34 0.00 0.00 178.44 179.13 1q81 h LEU 28 N 0.32 1.14 -0.82 2.25 5.85 -0.55 -0.14 115.31 123.37 1q81 h LEU 28 Ca 0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1q81 h LEU 28 Cb 0.28 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1q81 h LEU 28 CO -0.27 0.83 0.00 0.78 -0.34 0.00 0.00 178.44 179.44 1q81 h ASN 29 N 1.35 0.00 -0.03 1.25 2.35 -0.13 -1.72 115.58 118.64 1q81 h ASN 29 Ca 0.36 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.99 1q81 h ASN 29 Cb -0.15 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.22 1q81 h ASN 29 CO -0.08 0.00 -0.48 0.00 -1.65 0.00 0.00 177.43 175.23 1q81 h ALA 30 N 2.09 0.10 0.00 -0.83 0.00 0.78 -2.59 119.26 118.80 1q81 h ALA 30 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1q81 h ALA 30 Cb 0.65 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1q81 h ALA 30 CO 0.00 0.28 -0.16 0.00 0.00 0.00 0.00 179.25 179.37 1q81 h ARG 31 N -0.14 0.00 -0.01 0.00 3.08 -0.91 0.08 114.38 116.48 1q81 h ARG 31 Ca -0.05 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 1q81 h ARG 31 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.24 1q81 h ARG 31 CO 0.10 0.16 -0.68 0.00 -1.07 0.00 0.00 179.97 178.48 1q81 h ALA 32 N 1.84 0.09 -0.47 0.04 0.00 -1.33 0.11 119.26 119.55 1q81 h ALA 32 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1q81 h ALA 32 Cb 0.60 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1q81 h ALA 32 CO 0.02 0.42 0.06 0.28 0.00 0.00 0.00 179.25 180.03 1q81 h VAL 33 N 0.01 1.22 -0.12 0.00 2.07 -1.12 -1.19 116.25 117.11 1q81 h VAL 33 Ca -0.08 -0.85 -0.21 0.00 0.82 0.00 0.00 66.70 66.38 1q81 h VAL 33 Cb 1.37 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1q81 h VAL 33 CO 0.13 0.31 -0.75 -0.61 0.02 0.00 0.00 177.57 176.67 1q81 h GLN 34 N 0.70 0.62 0.00 1.57 4.15 -0.95 0.21 115.11 121.41 1q81 h GLN 34 Ca 0.15 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1q81 h GLN 34 Cb 0.34 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1q81 h GLN 34 CO 0.01 1.13 0.00 0.00 -1.93 0.00 0.00 178.83 178.03 1q81 h ALA 35 N 0.73 1.00 -0.68 3.38 0.00 -0.06 -1.07 119.26 122.56 1q81 h ALA 35 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1q81 h ALA 35 Cb 1.36 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 1q81 h ALA 35 CO 0.14 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.67 1q81 n ALA 36 N -1.88 4.65 -1.33 0.00 0.00 -0.52 -4.89 120.51 116.55 1q81 n ALA 36 Ca 0.00 -2.68 -0.13 0.00 0.00 0.00 0.00 53.44 50.64 1q81 n ALA 36 Cb 0.17 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1q81 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 37 N -0.69 1.22 3.68 0.00 0.00 -0.40 -4.85 105.19 104.15 1q81 n GLY 37 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 1q81 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q81 s GLY 38 N -2.14 1.36 0.22 -0.02 0.00 0.71 -4.92 107.32 102.52 1q81 s GLY 38 Ca 0.00 1.43 0.19 0.00 0.00 0.00 0.00 44.72 46.34 1q81 s GLY 38 CO 0.00 3.27 1.18 0.00 0.00 0.00 0.00 173.10 177.55 1q81 h ALA 39 N 9.24 0.68 0.00 3.20 0.00 -1.89 -3.38 119.26 127.11 1q81 h ALA 39 Ca -0.47 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1q81 h ALA 39 Cb 1.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1q81 h ALA 39 CO 0.95 0.46 0.00 -0.35 0.00 0.00 0.00 179.25 180.31 1q81 n PRO 40 N -2.97 0.00 -1.16 0.00 -0.04 -1.26 -4.73 135.00 124.84 1q81 n PRO 40 Ca -0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 1q81 n PRO 40 Cb 0.69 -1.24 0.19 0.00 -0.04 0.00 0.00 33.50 33.10 1q81 n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1q81 s GLU 41 N 0.39 0.19 -0.44 0.54 2.02 -1.26 -5.04 118.70 115.11 1q81 s GLU 41 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.47 1q81 s GLU 41 Cb 0.00 -1.72 0.30 0.00 0.10 0.00 0.00 34.13 32.82 1q81 s GLU 41 CO 0.00 -2.88 1.13 0.09 0.02 0.00 0.00 175.26 173.62 1q81 n ASN 42 N -4.26 -2.22 -0.19 -0.19 3.02 -1.26 -5.06 115.26 105.10 1q81 n ASN 42 Ca 0.06 -3.23 0.14 0.00 -0.03 0.00 0.00 54.58 51.52 1q81 n ASN 42 Cb 0.58 1.73 0.22 0.00 -0.61 0.00 0.00 39.78 41.69 1q81 n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1q81 n PRO 43 N 0.70 -0.00 0.28 3.52 -0.02 -1.26 -0.33 135.00 137.88 1q81 n PRO 43 Ca 0.04 0.30 0.16 0.00 -2.02 0.00 0.00 63.50 61.98 1q81 n PRO 43 Cb 0.70 -0.67 0.80 0.00 -0.02 0.00 0.00 33.50 34.30 1q81 n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1q81 h GLY 44 N 0.00 0.00 0.00 -1.23 0.00 -2.00 -3.25 103.07 96.59 1q81 h GLY 44 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 1q81 h GLY 44 CO -0.01 0.00 -0.54 3.21 0.00 0.00 0.00 176.54 179.20 1q81 h ARG 45 N 0.00 0.00 -0.03 4.80 3.08 -1.10 -2.74 114.38 118.39 1q81 h ARG 45 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1q81 h ARG 45 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1q81 h ARG 45 CO 0.01 0.63 0.40 0.97 -1.07 0.00 0.00 179.97 180.91 1q81 h ILE 46 N -1.00 0.02 0.08 2.04 2.10 -1.74 1.41 117.51 120.42 1q81 h ILE 46 Ca -0.12 0.00 -0.32 0.00 1.08 0.00 0.00 64.86 65.50 1q81 h ILE 46 Cb 0.84 0.61 -0.03 0.00 -1.09 0.00 0.00 36.82 37.15 1q81 h ILE 46 CO -0.07 0.00 -1.75 0.50 -1.08 0.00 0.00 178.15 175.74 1q81 h LYS 47 N 0.00 0.17 -0.16 2.19 3.64 -1.68 -3.30 116.57 117.42 1q81 h LYS 47 Ca 0.01 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1q81 h LYS 47 Cb 0.81 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1q81 h LYS 47 CO -0.00 0.93 -0.41 0.93 -2.27 0.00 0.00 179.45 178.63 1q81 h GLU 48 N 0.05 0.37 -0.17 1.90 4.39 0.19 -2.75 114.58 118.55 1q81 h GLU 48 Ca -0.32 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1q81 h GLU 48 Cb 2.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1q81 h GLU 48 CO 0.11 0.72 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.58 1q81 h LEU 49 N 0.31 0.23 -0.02 1.33 3.38 -0.15 0.20 115.31 120.58 1q81 h LEU 49 Ca 0.03 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1q81 h LEU 49 Cb 0.86 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1q81 h LEU 49 CO 0.07 0.30 -0.48 0.03 0.09 0.00 0.00 178.44 178.45 1q81 h ARG 50 N 0.25 0.36 -0.48 1.13 3.08 -1.58 -2.57 114.38 114.56 1q81 h ARG 50 Ca 0.06 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1q81 h ARG 50 Cb 0.21 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1q81 h ARG 50 CO 0.01 1.03 0.02 0.87 -1.07 0.00 0.00 179.97 180.83 1q81 h LYS 51 N -0.17 0.84 0.58 0.04 1.57 -1.21 -1.81 116.57 116.41 1q81 h LYS 51 Ca -0.05 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1q81 h LYS 51 Cb 1.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1q81 h LYS 51 CO 0.10 0.88 -0.50 0.00 -0.57 0.00 0.00 179.45 179.35 1q81 h ALA 52 N 0.94 -1.19 -0.83 3.86 0.00 -0.69 -0.08 119.26 121.27 1q81 h ALA 52 Ca 0.14 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.05 1q81 h ALA 52 Cb 0.48 0.71 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1q81 h ALA 52 CO 0.02 -1.20 0.13 0.82 0.00 0.00 0.00 179.25 179.02 1q81 h ILE 53 N -1.06 0.32 -0.78 0.00 2.04 -1.38 0.42 117.51 117.07 1q81 h ILE 53 Ca -0.07 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1q81 h ILE 53 Cb 0.90 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1q81 h ILE 53 CO -0.02 0.03 0.39 0.00 0.00 0.00 0.00 178.15 178.55 1q81 h ALA 54 N 1.76 1.22 -0.01 1.87 0.00 -0.68 -0.32 119.26 123.10 1q81 h ALA 54 Ca 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1q81 h ALA 54 Cb 0.94 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1q81 h ALA 54 CO -0.67 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1q81 h ARG 55 N 1.11 0.01 -0.59 0.00 3.08 0.16 0.10 114.38 118.25 1q81 h ARG 55 Ca 0.27 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.39 1q81 h ARG 55 Cb 0.08 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1q81 h ARG 55 CO -0.04 0.13 0.27 0.82 -1.07 0.00 0.00 179.97 180.08 1q81 h ILE 56 N -0.11 0.87 -0.39 2.04 2.04 -0.50 0.11 117.51 121.57 1q81 h ILE 56 Ca 0.00 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1q81 h ILE 56 Cb 0.12 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1q81 h ILE 56 CO -0.00 0.09 0.12 0.11 0.00 0.00 0.00 178.15 178.47 1q81 h LYS 57 N 0.50 0.60 -0.93 2.37 1.57 -0.87 -1.64 116.57 118.17 1q81 h LYS 57 Ca 0.28 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1q81 h LYS 57 Cb 0.27 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1q81 h LYS 57 CO -0.23 0.61 0.59 1.15 -0.57 0.00 0.00 179.45 180.99 1q81 h THR 58 N 0.48 1.06 -0.25 -0.16 2.02 0.51 -1.93 112.91 114.65 1q81 h THR 58 Ca 0.13 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.80 1q81 h THR 58 Cb 0.25 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1q81 h THR 58 CO -0.00 0.19 -0.40 0.40 0.37 0.00 0.00 175.52 176.08 1q81 h ILE 59 N 1.07 1.31 -0.89 3.11 1.08 -0.69 -2.51 117.51 119.99 1q81 h ILE 59 Ca 0.41 -1.60 0.14 0.00 -0.39 0.00 0.00 64.86 63.42 1q81 h ILE 59 Cb 0.19 1.73 -0.09 0.00 -3.07 0.00 0.00 36.82 35.57 1q81 h ILE 59 CO -0.18 0.51 0.49 1.56 -0.69 0.00 0.00 178.15 179.84 1q81 h GLN 60 N 0.42 0.68 0.03 2.37 4.20 -0.69 0.28 115.11 122.41 1q81 h GLN 60 Ca 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1q81 h GLN 60 Cb 0.99 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1q81 h GLN 60 CO 0.09 0.45 -0.01 0.78 -0.67 0.00 0.00 178.83 179.47 1q81 h GLY 61 N 0.70 -0.04 0.38 3.46 0.00 -1.34 0.56 103.07 106.80 1q81 h GLY 61 Ca 0.48 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.89 1q81 h GLY 61 CO -0.34 -0.01 -0.03 0.83 0.00 0.00 0.00 176.54 176.98 1q81 h GLU 62 N -0.44 0.06 0.00 4.80 5.08 -0.79 -2.42 114.58 120.86 1q81 h GLU 62 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1q81 h GLU 62 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1q81 h GLU 62 CO 0.01 0.04 0.00 0.93 -1.00 0.00 0.00 179.01 178.98 1q81 h GLU 63 N 0.06 0.00 0.00 2.33 4.39 -0.53 -3.46 114.58 117.37 1q81 h GLU 63 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1q81 h GLU 63 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1q81 h GLU 63 CO -0.32 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.94 1q81 n GLY 64 N 0.20 0.92 0.00 -3.84 0.00 -0.89 -5.08 105.19 96.50 1q81 n GLY 64 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1q81 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54