#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 h VAL 2 N 0.00 0.06 -3.68 1.08 2.07 -2.03 -3.30 116.25 110.45 1q82 h VAL 2 Ca 0.00 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.87 1q82 h VAL 2 Cb 0.00 0.53 -0.39 0.00 -1.52 0.00 0.00 31.29 29.91 1q82 h VAL 2 CO 0.00 0.00 -0.75 -0.22 0.02 0.00 0.00 177.57 176.62 1q82 s LEU 3 N -5.95 4.02 0.50 2.57 2.96 -1.26 -5.12 118.68 116.40 1q82 s LEU 3 Ca -0.03 -1.84 -0.04 0.00 -0.22 0.00 0.00 54.13 52.01 1q82 s LEU 3 Cb 0.09 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 1q82 s LEU 3 CO 0.29 -0.32 0.78 -1.00 -1.32 0.00 0.00 176.35 174.78 1q82 s HIS 4 N 1.06 3.37 0.13 5.38 3.76 -1.25 -4.99 115.29 122.76 1q82 s HIS 4 Ca 0.04 0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 55.36 1q82 s HIS 4 Cb -0.19 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1q82 s HIS 4 CO -0.09 -0.46 1.79 0.28 -0.85 0.00 0.00 174.74 175.41 1q82 h VAL 5 N 0.16 1.05 -0.23 -0.90 2.07 -2.00 -2.51 116.25 113.90 1q82 h VAL 5 Ca -0.46 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1q82 h VAL 5 Cb 1.23 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1q82 h VAL 5 CO 0.60 0.06 -0.20 1.56 0.02 0.00 0.00 177.57 179.62 1q82 h GLN 6 N 0.36 -0.19 -0.90 1.57 4.20 -1.99 -0.96 115.11 117.20 1q82 h GLN 6 Ca 0.10 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.97 1q82 h GLN 6 Cb -0.02 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.73 1q82 h GLN 6 CO -0.04 -0.13 0.58 0.93 -0.67 0.00 0.00 178.83 179.50 1q82 h GLU 7 N -0.20 0.69 -0.42 1.46 5.08 -1.92 0.73 114.58 119.99 1q82 h GLU 7 Ca 0.13 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1q82 h GLU 7 Cb 0.40 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1q82 h GLU 7 CO -0.35 0.45 -0.21 0.82 -1.00 0.00 0.00 179.01 178.72 1q82 h ILE 8 N 0.71 1.28 0.00 3.13 2.04 -0.82 -2.83 117.51 121.02 1q82 h ILE 8 Ca 0.45 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1q82 h ILE 8 Cb 0.72 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1q82 h ILE 8 CO -0.21 0.46 -0.05 0.03 0.00 0.00 0.00 178.15 178.38 1q82 h ARG 9 N 0.72 0.00 -0.01 2.37 3.08 0.15 -2.45 114.38 118.24 1q82 h ARG 9 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1q82 h ARG 9 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1q82 h ARG 9 CO 0.06 0.05 -0.07 -0.25 -1.07 0.00 0.00 179.97 178.69 1q82 n ASP 10 N -3.16 0.57 -4.91 7.04 8.00 0.09 -4.84 116.55 119.35 1q82 n ASP 10 Ca 0.01 -0.82 -0.27 0.00 0.71 0.00 0.00 54.79 54.42 1q82 n ASP 10 Cb 0.36 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1q82 n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1q82 s MET 11 N -2.30 3.53 0.30 -1.24 -1.94 -0.92 -5.07 119.30 111.66 1q82 s MET 11 Ca 0.34 0.14 -0.06 0.00 -1.71 0.00 0.00 55.69 54.40 1q82 s MET 11 Cb 0.21 -2.40 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 1q82 s MET 11 CO 0.43 -0.17 0.59 -0.08 -0.01 0.00 0.00 175.02 175.77 1q82 s THR 12 N -2.70 4.98 0.42 2.05 -1.32 -1.26 -4.89 115.64 112.92 1q82 s THR 12 Ca 0.47 0.17 0.26 0.00 -1.21 0.00 0.00 61.69 61.38 1q82 s THR 12 Cb -0.10 -3.72 0.44 0.00 -1.51 0.00 0.00 72.50 67.61 1q82 s THR 12 CO 0.44 -0.34 1.64 -0.65 -2.21 0.00 0.00 174.62 173.50 1q82 h PRO 13 N 1.67 0.13 -0.07 7.08 0.11 -1.97 0.89 132.00 139.85 1q82 h PRO 13 Ca -0.48 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1q82 h PRO 13 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1q82 h PRO 13 CO 0.66 0.09 -0.52 0.00 -0.21 0.00 0.00 178.00 178.01 1q82 h ALA 14 N 1.67 0.99 0.00 -0.75 0.00 -1.92 -2.73 119.26 116.52 1q82 h ALA 14 Ca 0.79 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1q82 h ALA 14 Cb 2.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 1q82 h ALA 14 CO -0.46 0.67 -0.74 0.93 0.00 0.00 0.00 179.25 179.65 1q82 h GLU 15 N 0.15 0.00 -0.15 0.00 5.08 0.42 -1.99 114.58 118.09 1q82 h GLU 15 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1q82 h GLU 15 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1q82 h GLU 15 CO 0.08 0.74 -0.20 0.00 -1.00 0.00 0.00 179.01 178.63 1q82 h ARG 16 N 0.00 0.41 -0.82 2.33 3.08 -1.27 0.24 114.38 118.34 1q82 h ARG 16 Ca -0.01 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1q82 h ARG 16 Cb 1.38 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 1q82 h ARG 16 CO 0.10 0.81 0.41 0.93 -1.07 0.00 0.00 179.97 181.15 1q82 h GLU 17 N 0.03 1.17 -0.30 0.04 5.08 -1.44 0.93 114.58 120.10 1q82 h GLU 17 Ca 0.02 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1q82 h GLU 17 Cb 0.76 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1q82 h GLU 17 CO 0.05 0.89 -0.28 0.00 -1.00 0.00 0.00 179.01 178.67 1q82 h ALA 18 N 1.22 0.95 -0.20 3.43 0.00 -1.30 -0.23 119.26 123.12 1q82 h ALA 18 Ca 0.29 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1q82 h ALA 18 Cb 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1q82 h ALA 18 CO -0.04 0.61 -0.71 1.49 0.00 0.00 0.00 179.25 180.60 1q82 h GLU 19 N 0.53 0.83 0.57 0.00 4.57 -0.35 -2.53 114.58 118.21 1q82 h GLU 19 Ca 0.07 -0.63 -0.02 0.00 -1.18 0.00 0.00 59.36 57.60 1q82 h GLU 19 Cb 0.75 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1q82 h GLU 19 CO 0.06 1.24 -0.40 1.25 -1.18 0.00 0.00 179.01 179.98 1q82 h LEU 20 N 0.59 -1.05 -1.21 1.64 5.85 0.12 0.68 115.31 121.93 1q82 h LEU 20 Ca -0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1q82 h LEU 20 Cb 1.33 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1q82 h LEU 20 CO 0.15 -0.59 0.05 0.47 -0.34 0.00 0.00 178.44 178.18 1q82 n ASP 21 N -4.93 0.47 -0.02 1.25 8.00 -0.12 -1.43 116.55 119.76 1q82 n ASP 21 Ca -0.11 0.70 -0.19 0.00 0.71 0.00 0.00 54.79 55.90 1q82 n ASP 21 Cb 0.40 -0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 40.62 1q82 n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1q82 h ASP 22 N 0.00 0.23 -0.12 -2.24 3.32 -0.77 -3.16 116.42 113.68 1q82 h ASP 22 Ca 0.00 -0.87 -0.00 0.00 0.02 0.00 0.00 57.03 56.18 1q82 h ASP 22 Cb 0.10 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1q82 h ASP 22 CO 0.00 1.36 0.07 -0.07 -1.72 0.00 0.00 179.24 178.88 1q82 h LEU 23 N -0.64 0.14 -0.85 1.55 3.38 0.24 -2.05 115.31 117.08 1q82 h LEU 23 Ca -0.18 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 57.95 1q82 h LEU 23 Cb 1.43 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.02 1q82 h LEU 23 CO 0.02 0.16 0.26 0.11 0.09 0.00 0.00 178.44 179.07 1q82 h LYS 24 N 0.12 0.26 -0.44 1.13 1.57 -1.38 0.28 116.57 118.11 1q82 h LYS 24 Ca 0.04 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1q82 h LYS 24 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1q82 h LYS 24 CO -0.01 0.17 -0.18 1.15 -0.57 0.00 0.00 179.45 180.01 1q82 h THR 25 N 0.27 1.27 -0.49 -0.16 2.02 -1.40 0.80 112.91 115.21 1q82 h THR 25 Ca 0.52 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1q82 h THR 25 Cb 0.99 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1q82 h THR 25 CO -0.59 0.44 0.14 -0.08 0.37 0.00 0.00 175.52 175.81 1q82 h GLU 26 N 0.75 0.78 0.36 6.66 4.81 0.09 -0.70 114.58 127.32 1q82 h GLU 26 Ca 0.11 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1q82 h GLU 26 Cb 0.71 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1q82 h GLU 26 CO 0.05 0.74 -0.29 1.25 -0.73 0.00 0.00 179.01 180.03 1q82 h LEU 27 N 0.67 -0.76 -0.78 1.64 5.85 -0.49 0.68 115.31 122.11 1q82 h LEU 27 Ca 0.16 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1q82 h LEU 27 Cb 0.30 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1q82 h LEU 27 CO -0.00 -0.43 0.41 0.25 -0.34 0.00 0.00 178.44 178.33 1q82 h LEU 28 N -0.66 0.54 -1.25 2.25 5.85 -0.62 0.25 115.31 121.67 1q82 h LEU 28 Ca -0.03 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1q82 h LEU 28 Cb 0.57 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1q82 h LEU 28 CO -0.02 0.29 -0.23 0.78 -0.34 0.00 0.00 178.44 178.92 1q82 h ASN 29 N 0.67 0.00 -0.09 1.25 2.35 -0.80 -1.96 115.58 117.00 1q82 h ASN 29 Ca 0.40 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.07 1q82 h ASN 29 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1q82 h ASN 29 CO -0.29 0.23 -0.25 0.00 -1.65 0.00 0.00 177.43 175.47 1q82 h ALA 30 N 1.77 0.15 -0.48 -0.83 0.00 0.18 -2.61 119.26 117.44 1q82 h ALA 30 Ca -0.00 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1q82 h ALA 30 Cb 0.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1q82 h ALA 30 CO 0.03 0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.74 1q82 h ARG 31 N -0.14 0.63 -0.16 0.00 3.08 -0.86 0.08 114.38 117.00 1q82 h ARG 31 Ca -0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1q82 h ARG 31 Cb 0.86 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1q82 h ARG 31 CO 0.05 0.41 0.02 0.00 -1.07 0.00 0.00 179.97 179.39 1q82 h ALA 32 N 1.70 0.22 -0.22 0.04 0.00 -1.34 1.00 119.26 120.66 1q82 h ALA 32 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1q82 h ALA 32 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1q82 h ALA 32 CO -0.04 -0.11 0.01 0.28 0.00 0.00 0.00 179.25 179.39 1q82 h VAL 33 N 0.05 1.14 0.09 0.00 2.07 -1.02 -0.07 116.25 118.51 1q82 h VAL 33 Ca 0.05 -0.53 -0.25 0.00 0.82 0.00 0.00 66.70 66.79 1q82 h VAL 33 Cb 0.32 0.97 0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1q82 h VAL 33 CO 0.00 0.18 -1.05 -0.61 0.02 0.00 0.00 177.57 176.11 1q82 h GLN 34 N 0.32 0.54 0.00 1.57 4.15 -0.59 0.55 115.11 121.65 1q82 h GLN 34 Ca 0.07 -0.71 -0.00 0.00 0.77 0.00 0.00 58.65 58.78 1q82 h GLN 34 Cb 0.21 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 1q82 h GLN 34 CO 0.00 1.31 -0.01 0.00 -1.93 0.00 0.00 178.83 178.20 1q82 h ALA 35 N 0.27 1.06 -0.78 3.38 0.00 0.19 -0.59 119.26 122.79 1q82 h ALA 35 Ca -0.16 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.46 1q82 h ALA 35 Cb 1.75 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.37 1q82 h ALA 35 CO 0.20 0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.81 1q82 n ALA 36 N -2.12 4.80 -1.29 0.00 0.00 -0.12 -4.88 120.51 116.90 1q82 n ALA 36 Ca -0.02 -2.52 -0.12 0.00 0.00 0.00 0.00 53.44 50.77 1q82 n ALA 36 Cb 0.12 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1q82 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 37 N -0.45 1.14 3.70 0.00 0.00 -0.23 -4.86 105.19 104.48 1q82 n GLY 37 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1q82 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 38 N -0.01 1.66 0.09 -0.02 0.00 0.19 -4.90 105.19 102.19 1q82 n GLY 38 Ca -0.12 0.70 0.12 0.00 0.00 0.00 0.00 46.02 46.71 1q82 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 39 N 5.31 2.74 0.17 4.61 0.00 -1.26 -4.31 120.51 127.76 1q82 n ALA 39 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1q82 n ALA 39 Cb 0.37 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1q82 n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q82 n PRO 40 N -2.44 0.17 -0.83 0.00 -0.04 -1.26 -4.76 135.00 125.84 1q82 n PRO 40 Ca 0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1q82 n PRO 40 Cb 0.51 -1.25 0.24 0.00 -0.04 0.00 0.00 33.50 32.96 1q82 n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1q82 s GLU 41 N -0.07 -1.19 -0.45 0.54 2.02 -1.26 -5.03 118.70 113.26 1q82 s GLU 41 Ca 0.00 0.30 0.06 0.00 0.02 0.00 0.00 54.97 55.35 1q82 s GLU 41 Cb 0.00 -1.57 0.31 0.00 0.10 0.00 0.00 34.13 32.98 1q82 s GLU 41 CO 0.00 -3.77 1.13 0.09 0.02 0.00 0.00 175.26 172.73 1q82 n ASN 42 N -4.87 -2.26 -0.02 -0.19 3.02 -1.26 -5.05 115.26 104.63 1q82 n ASN 42 Ca 0.09 -3.45 0.02 0.00 -0.03 0.00 0.00 54.58 51.20 1q82 n ASN 42 Cb 0.58 1.83 0.03 0.00 -0.61 0.00 0.00 39.78 41.61 1q82 n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1q82 n PRO 43 N 0.49 -0.00 0.11 3.52 -0.02 -1.26 0.08 135.00 137.92 1q82 n PRO 43 Ca 0.05 0.07 0.18 0.00 -2.02 0.00 0.00 63.50 61.78 1q82 n PRO 43 Cb 0.70 -0.13 0.74 0.00 -0.02 0.00 0.00 33.50 34.79 1q82 n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1q82 h GLY 44 N 0.00 0.00 0.34 -1.23 0.00 -2.00 -3.01 103.07 97.16 1q82 h GLY 44 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.11 1q82 h GLY 44 CO -0.04 0.00 -1.39 3.21 0.00 0.00 0.00 176.54 178.32 1q82 h ARG 45 N 0.00 0.15 -0.22 4.80 3.08 -0.78 -2.76 114.38 118.64 1q82 h ARG 45 Ca 0.16 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1q82 h ARG 45 Cb 0.74 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1q82 h ARG 45 CO -0.00 1.12 0.34 0.97 -1.07 0.00 0.00 179.97 181.33 1q82 h ILE 46 N -0.51 0.26 0.21 2.04 2.10 -1.70 0.79 117.51 120.69 1q82 h ILE 46 Ca -0.33 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.31 1q82 h ILE 46 Cb 1.61 0.70 0.03 0.00 -1.09 0.00 0.00 36.82 38.07 1q82 h ILE 46 CO -0.03 0.00 -1.36 0.50 -1.08 0.00 0.00 178.15 176.17 1q82 h LYS 47 N 0.00 0.44 -0.63 2.19 3.64 -1.62 -3.28 116.57 117.32 1q82 h LYS 47 Ca 0.10 -0.76 -0.09 0.00 -1.27 0.00 0.00 60.65 58.63 1q82 h LYS 47 Cb 0.79 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1q82 h LYS 47 CO -0.00 1.36 0.03 0.93 -2.27 0.00 0.00 179.45 179.50 1q82 h GLU 48 N -0.01 1.09 -0.98 1.90 4.39 0.30 -2.63 114.58 118.63 1q82 h GLU 48 Ca -0.25 -0.33 0.14 0.00 0.34 0.00 0.00 59.36 59.25 1q82 h GLU 48 Cb 2.01 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 30.47 1q82 h GLU 48 CO 0.22 1.04 0.62 -0.07 -1.16 0.00 0.00 179.01 179.66 1q82 h LEU 49 N 1.00 0.85 -0.12 1.33 3.38 0.17 0.45 115.31 122.38 1q82 h LEU 49 Ca 0.18 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1q82 h LEU 49 Cb 0.53 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1q82 h LEU 49 CO 0.03 0.43 -0.05 0.03 0.09 0.00 0.00 178.44 178.96 1q82 h ARG 50 N 0.90 0.24 -0.73 1.13 3.08 -1.54 -2.46 114.38 115.00 1q82 h ARG 50 Ca 0.50 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.42 1q82 h ARG 50 Cb 0.60 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1q82 h ARG 50 CO -0.27 0.59 0.36 0.87 -1.07 0.00 0.00 179.97 180.44 1q82 h LYS 51 N -0.11 1.05 -0.48 0.04 1.57 -0.85 -1.65 116.57 116.14 1q82 h LYS 51 Ca 0.03 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1q82 h LYS 51 Cb 0.51 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1q82 h LYS 51 CO 0.02 0.82 0.31 0.00 -0.57 0.00 0.00 179.45 180.02 1q82 h ALA 52 N 1.18 0.60 -0.83 3.86 0.00 -0.16 0.43 119.26 124.34 1q82 h ALA 52 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1q82 h ALA 52 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1q82 h ALA 52 CO -0.03 0.04 0.46 0.82 0.00 0.00 0.00 179.25 180.54 1q82 h ILE 53 N 0.63 1.24 0.06 0.00 2.04 -1.20 -0.90 117.51 119.37 1q82 h ILE 53 Ca 0.18 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1q82 h ILE 53 Cb -0.06 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1q82 h ILE 53 CO -0.05 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.34 1q82 h ALA 54 N 1.35 -0.08 0.18 1.87 0.00 -0.50 -0.74 119.26 121.35 1q82 h ALA 54 Ca 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1q82 h ALA 54 Cb 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1q82 h ALA 54 CO -0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 179.25 178.42 1q82 h ARG 55 N -0.18 -0.53 -0.38 0.00 3.08 -0.41 0.23 114.38 116.19 1q82 h ARG 55 Ca -0.01 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1q82 h ARG 55 Cb 0.16 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 1q82 h ARG 55 CO 0.01 -0.35 -0.19 0.82 -1.07 0.00 0.00 179.97 179.19 1q82 h ILE 56 N -0.55 0.44 -0.91 2.04 2.04 -1.11 0.31 117.51 119.77 1q82 h ILE 56 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1q82 h ILE 56 Cb 0.55 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1q82 h ILE 56 CO -0.13 0.00 0.59 0.11 0.00 0.00 0.00 178.15 178.72 1q82 h LYS 57 N -0.12 0.91 -0.42 2.37 1.57 -0.44 0.79 116.57 121.23 1q82 h LYS 57 Ca 0.19 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1q82 h LYS 57 Cb 0.41 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1q82 h LYS 57 CO -0.45 0.60 0.15 1.15 -0.57 0.00 0.00 179.45 180.32 1q82 h THR 58 N 0.93 1.21 -0.22 -0.16 2.02 0.28 -2.58 112.91 114.39 1q82 h THR 58 Ca 0.42 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1q82 h THR 58 Cb 0.37 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1q82 h THR 58 CO -0.18 0.25 0.00 0.40 0.37 0.00 0.00 175.52 176.36 1q82 h ILE 59 N 0.54 1.25 -0.93 3.11 1.08 0.33 -1.69 117.51 121.20 1q82 h ILE 59 Ca 0.14 -0.87 0.22 0.00 -0.39 0.00 0.00 64.86 63.96 1q82 h ILE 59 Cb 0.24 1.38 -0.07 0.00 -3.07 0.00 0.00 36.82 35.30 1q82 h ILE 59 CO -0.01 0.27 0.62 1.56 -0.69 0.00 0.00 178.15 179.90 1q82 h GLN 60 N 0.17 0.37 0.07 2.37 4.20 -0.81 0.20 115.11 121.67 1q82 h GLN 60 Ca 0.06 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.47 1q82 h GLN 60 Cb 0.39 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 28.12 1q82 h GLN 60 CO 0.01 0.24 -1.16 0.78 -0.67 0.00 0.00 178.83 178.03 1q82 h GLY 61 N 0.38 0.74 0.94 3.46 0.00 -1.13 0.95 103.07 108.41 1q82 h GLY 61 Ca 0.49 -1.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.33 1q82 h GLY 61 CO -0.19 1.26 0.00 0.83 0.00 0.00 0.00 176.54 178.44 1q82 h GLU 62 N 0.33 0.69 0.00 4.80 5.08 0.11 -3.14 114.58 122.44 1q82 h GLU 62 Ca -0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1q82 h GLU 62 Cb 1.82 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1q82 h GLU 62 CO 0.22 0.78 0.00 0.93 -1.00 0.00 0.00 179.01 179.95 1q82 h GLU 63 N 0.52 0.00 0.00 2.33 4.39 -0.84 -3.47 114.58 117.51 1q82 h GLU 63 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1q82 h GLU 63 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1q82 h GLU 63 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1q82 n GLY 64 N 0.60 0.88 0.00 -3.84 0.00 -0.99 -5.09 105.19 96.75 1q82 n GLY 64 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1q82 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54