#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nr2 s GLN 2 N 0.00 3.68 0.32 2.12 0.74 -1.26 0.20 119.66 125.47 2nr2 s GLN 2 Ca 0.00 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 54.93 2nr2 s GLN 2 Cb 0.00 -2.95 -0.06 0.00 1.10 0.00 0.00 33.01 31.10 2nr2 s GLN 2 CO 0.00 0.22 0.07 0.96 -0.55 0.00 0.00 175.29 175.99 2nr2 s ILE 3 N 0.43 1.04 -0.02 -2.34 -4.36 -0.97 -0.03 121.20 114.95 2nr2 s ILE 3 Ca -0.03 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.43 2nr2 s ILE 3 Cb -0.14 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.82 2nr2 s ILE 3 CO 0.03 0.00 -0.23 -0.36 0.24 0.00 0.00 174.94 174.61 2nr2 s PHE 4 N -3.37 2.10 -0.07 1.37 0.08 -0.68 -2.61 117.98 114.80 2nr2 s PHE 4 Ca 0.36 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 57.05 2nr2 s PHE 4 Cb 0.08 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2nr2 s PHE 4 CO 0.15 -0.03 -0.19 0.08 -0.10 0.00 0.00 175.22 175.13 2nr2 s VAL 5 N -0.56 1.64 -0.28 -0.44 1.01 -0.57 -0.72 120.40 120.49 2nr2 s VAL 5 Ca 0.09 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2nr2 s VAL 5 Cb -0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2nr2 s VAL 5 CO -0.01 0.47 0.68 -0.54 0.00 0.00 0.00 175.10 175.70 2nr2 s LYS 6 N 0.34 4.04 0.86 2.72 -0.14 -0.76 -0.17 119.74 126.62 2nr2 s LYS 6 Ca -0.13 0.54 -0.11 0.00 -1.36 0.00 0.00 55.97 54.91 2nr2 s LYS 6 Cb -0.16 -3.68 0.15 0.00 -1.68 0.00 0.00 37.83 32.46 2nr2 s LYS 6 CO 0.06 -0.52 1.19 0.95 -0.76 0.00 0.00 175.35 176.27 2nr2 s THR 7 N 2.66 2.07 -0.55 2.17 -4.23 -0.70 -1.75 115.64 115.30 2nr2 s THR 7 Ca 0.28 -0.17 0.25 0.00 -1.18 0.00 0.00 61.69 60.87 2nr2 s THR 7 Cb -0.15 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 71.11 2nr2 s THR 7 CO 0.10 0.00 1.72 -0.07 -0.54 0.00 0.00 174.62 175.83 2nr2 h LEU 8 N -1.19 0.00 0.00 4.79 3.38 -1.90 -3.36 115.31 117.04 2nr2 h LEU 8 Ca -0.43 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 2nr2 h LEU 8 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2nr2 h LEU 8 CO 0.44 0.00 -1.15 0.35 0.09 0.00 0.00 178.44 178.17 2nr2 n THR 9 N -2.65 1.48 0.00 0.22 -2.24 -1.26 -5.01 114.28 104.83 2nr2 n THR 9 Ca 0.04 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2nr2 n THR 9 Cb 0.45 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 2nr2 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nr2 n GLY 10 N 1.47 0.00 3.60 3.38 0.00 -1.26 -5.16 105.19 107.22 2nr2 n GLY 10 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2nr2 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nr2 s LYS 11 N 0.00 2.81 -0.21 1.61 2.20 -1.26 -4.97 119.74 119.91 2nr2 s LYS 11 Ca 0.00 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 2nr2 s LYS 11 Cb 0.00 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 2nr2 s LYS 11 CO 0.00 0.67 0.03 0.99 -0.36 0.00 0.00 175.35 176.68 2nr2 s THR 12 N -0.81 4.23 -0.23 3.43 2.01 -1.26 -1.72 115.64 121.29 2nr2 s THR 12 Ca 0.12 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 2nr2 s THR 12 Cb -0.11 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2nr2 s THR 12 CO 0.02 0.41 0.40 -0.63 -0.69 0.00 0.00 174.62 174.12 2nr2 s ILE 13 N 1.06 5.18 -0.51 1.82 1.01 0.76 -4.89 121.20 125.63 2nr2 s ILE 13 Ca 0.03 0.68 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 2nr2 s ILE 13 Cb -0.14 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.64 2nr2 s ILE 13 CO 0.02 0.21 0.77 -0.89 0.00 0.00 0.00 174.94 175.05 2nr2 s THR 14 N 1.64 4.66 -0.19 2.92 2.01 -1.26 -1.51 115.64 123.91 2nr2 s THR 14 Ca 0.18 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 2nr2 s THR 14 Cb -0.15 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 2nr2 s THR 14 CO 0.09 -0.89 0.07 -0.76 -0.69 0.00 0.00 174.62 172.43 2nr2 s LEU 15 N 3.24 3.78 -0.33 4.42 1.43 -1.07 -5.01 118.68 125.14 2nr2 s LEU 15 Ca 0.24 0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 2nr2 s LEU 15 Cb -0.15 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 2nr2 s LEU 15 CO 0.17 0.15 0.63 -0.70 0.23 0.00 0.00 176.35 176.82 2nr2 s GLU 16 N 0.54 3.81 0.16 1.70 2.12 -1.26 -2.30 118.70 123.46 2nr2 s GLU 16 Ca 0.03 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.61 2nr2 s GLU 16 Cb -0.13 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 2nr2 s GLU 16 CO 0.01 -0.63 -0.11 0.14 -0.54 0.00 0.00 175.26 174.12 2nr2 s VAL 17 N 2.64 1.32 -0.00 3.70 -7.23 0.13 -4.94 120.40 116.01 2nr2 s VAL 17 Ca 0.25 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2nr2 s VAL 17 Cb -0.15 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2nr2 s VAL 17 CO 0.13 -0.69 0.19 -0.70 -0.31 0.00 0.00 175.10 173.73 2nr2 s GLU 18 N -3.64 3.46 0.38 4.82 2.56 -1.26 -0.33 118.70 124.69 2nr2 s GLU 18 Ca 0.17 -0.29 0.27 0.00 0.00 0.00 0.00 54.97 55.13 2nr2 s GLU 18 Cb 0.01 -3.09 0.98 0.00 2.00 0.00 0.00 34.13 34.03 2nr2 s GLU 18 CO 0.02 0.67 1.80 -1.35 -0.56 0.00 0.00 175.26 175.84 2nr2 h PRO 19 N 3.81 0.00 0.00 4.30 0.10 -1.95 -1.95 132.00 136.32 2nr2 h PRO 19 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 2nr2 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 2nr2 h PRO 19 CO 0.69 0.00 0.00 0.43 0.10 0.00 0.00 178.00 179.22 2nr2 n SER 20 N -2.69 0.00 -4.76 -2.05 7.64 -1.26 -1.12 113.62 109.39 2nr2 n SER 20 Ca 0.02 -0.52 -0.40 0.00 1.01 0.00 0.00 58.87 58.98 2nr2 n SER 20 Cb 0.34 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 2nr2 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2nr2 s ASP 21 N -2.25 7.24 0.67 6.43 1.01 -0.73 -4.89 116.67 124.15 2nr2 s ASP 21 Ca 0.34 2.28 -0.12 0.00 0.71 0.00 0.00 52.55 55.76 2nr2 s ASP 21 Cb 0.18 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 2nr2 s ASP 21 CO 0.36 -0.17 1.06 0.42 0.21 0.00 0.00 175.17 177.05 2nr2 s THR 22 N -1.08 3.94 0.46 -1.27 -4.23 -1.26 -2.99 115.64 109.20 2nr2 s THR 22 Ca 0.45 0.70 0.13 0.00 -1.18 0.00 0.00 61.69 61.79 2nr2 s THR 22 Cb -0.32 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.38 2nr2 s THR 22 CO 0.41 -0.75 2.05 0.40 -0.54 0.00 0.00 174.62 176.19 2nr2 h ILE 23 N -0.45 1.08 -0.87 2.99 1.08 -1.09 -0.81 117.51 119.45 2nr2 h ILE 23 Ca -0.45 -0.34 0.21 0.00 -0.39 0.00 0.00 64.86 63.90 2nr2 h ILE 23 Cb 1.21 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.96 2nr2 h ILE 23 CO 0.57 0.11 0.59 -0.08 -0.69 0.00 0.00 178.15 178.64 2nr2 h GLU 24 N 0.12 0.27 0.00 2.37 4.81 -1.53 0.13 114.58 120.75 2nr2 h GLU 24 Ca 0.03 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 2nr2 h GLU 24 Cb 0.15 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2nr2 h GLU 24 CO 0.01 0.18 -1.35 -0.91 -0.73 0.00 0.00 179.01 176.20 2nr2 h ASN 25 N 0.27 0.00 -0.29 1.04 2.35 -1.48 -3.02 115.58 114.45 2nr2 h ASN 25 Ca 0.44 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.06 2nr2 h ASN 25 Cb 1.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2nr2 h ASN 25 CO -0.12 0.96 -0.34 0.58 -1.65 0.00 0.00 177.43 176.86 2nr2 h VAL 26 N 0.00 1.30 0.00 2.81 2.07 -0.40 -1.65 116.25 120.37 2nr2 h VAL 26 Ca -0.15 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 2nr2 h VAL 26 Cb 1.87 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2nr2 h VAL 26 CO 0.10 0.49 -0.12 0.11 0.02 0.00 0.00 177.57 178.16 2nr2 h LYS 27 N 0.48 0.00 0.00 1.57 1.57 -0.91 -2.14 116.57 117.14 2nr2 h LYS 27 Ca 0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2nr2 h LYS 27 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2nr2 h LYS 27 CO 0.08 0.12 -0.20 0.00 -0.57 0.00 0.00 179.45 178.88 2nr2 h ALA 28 N 1.88 0.88 -0.00 3.86 0.00 -1.36 -2.24 119.26 122.27 2nr2 h ALA 28 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2nr2 h ALA 28 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2nr2 h ALA 28 CO 0.02 0.21 -0.78 0.87 0.00 0.00 0.00 179.25 179.56 2nr2 h LYS 29 N 0.00 0.01 -0.47 0.00 1.57 -0.65 -0.50 116.57 116.53 2nr2 h LYS 29 Ca -0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2nr2 h LYS 29 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2nr2 h LYS 29 CO 0.02 0.79 -0.12 0.82 -0.57 0.00 0.00 179.45 180.39 2nr2 h ILE 30 N 0.01 1.26 0.62 1.86 2.04 -1.39 -0.77 117.51 121.13 2nr2 h ILE 30 Ca -0.01 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 2nr2 h ILE 30 Cb 1.38 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2nr2 h ILE 30 CO 0.10 0.42 -0.43 -0.61 0.00 0.00 0.00 178.15 177.64 2nr2 h GLN 31 N 0.78 -0.97 -0.63 2.37 4.15 -1.32 -1.58 115.11 117.91 2nr2 h GLN 31 Ca 0.13 0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.74 2nr2 h GLN 31 Cb 0.64 0.22 -0.12 0.00 0.21 0.00 0.00 27.48 28.43 2nr2 h GLN 31 CO 0.04 -0.65 -0.14 0.22 -1.93 0.00 0.00 178.83 176.38 2nr2 h ASP 32 N -1.01 -0.55 0.28 -0.69 3.58 -0.91 -2.16 116.42 114.98 2nr2 h ASP 32 Ca -0.08 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2nr2 h ASP 32 Cb 0.83 0.38 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2nr2 h ASP 32 CO 0.05 -0.20 -0.14 0.11 -2.88 0.00 0.00 179.24 176.18 2nr2 h LYS 33 N 0.01 -0.37 0.00 0.28 1.79 -1.09 -3.42 116.57 113.77 2nr2 h LYS 33 Ca 0.31 0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.57 2nr2 h LYS 33 Cb 0.47 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 2nr2 h LYS 33 CO -0.64 -0.25 -1.54 0.39 -1.08 0.00 0.00 179.45 176.34 2nr2 n GLU 34 N -3.29 0.55 0.00 3.15 -0.58 -0.60 -5.04 120.64 114.83 2nr2 n GLU 34 Ca -0.05 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2nr2 n GLU 34 Cb 0.15 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2nr2 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nr2 n GLY 35 N 1.40 2.57 3.51 0.62 0.00 -0.81 -5.05 105.19 107.43 2nr2 n GLY 35 Ca -0.32 -0.29 -0.63 0.00 0.00 0.00 0.00 46.02 44.77 2nr2 n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nr2 n ILE 36 N 0.00 0.02 -1.48 -0.61 5.41 -1.26 -4.76 119.36 116.69 2nr2 n ILE 36 Ca 0.00 -0.01 -0.32 0.00 1.00 0.00 0.00 62.75 63.42 2nr2 n ILE 36 Cb 0.00 -0.57 0.07 0.00 -0.71 0.00 0.00 39.64 38.44 2nr2 n ILE 36 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2nr2 s PRO 37 N 4.47 2.47 0.53 0.38 0.04 -1.26 -3.29 135.00 138.34 2nr2 s PRO 37 Ca 1.12 1.29 0.29 0.00 0.04 0.00 0.00 61.00 63.74 2nr2 s PRO 37 Cb -1.46 -1.92 1.47 0.00 0.04 0.00 0.00 34.50 32.64 2nr2 s PRO 37 CO 0.73 -1.49 2.06 -1.35 0.04 0.00 0.00 177.00 176.99 2nr2 h PRO 38 N -0.60 0.00 0.00 0.56 0.11 -1.93 -2.79 132.00 127.35 2nr2 h PRO 38 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2nr2 h PRO 38 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2nr2 h PRO 38 CO 0.52 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 2nr2 n ASP 39 N -3.51 0.38 -0.00 -2.05 8.00 -1.26 -2.48 116.55 115.63 2nr2 n ASP 39 Ca -0.01 0.64 0.06 0.00 0.71 0.00 0.00 54.79 56.19 2nr2 n ASP 39 Cb 0.25 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.51 2nr2 n ASP 39 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2nr2 n GLN 40 N -1.97 0.65 -3.30 -1.24 7.27 -1.05 -5.00 117.38 112.73 2nr2 n GLN 40 Ca 0.01 -0.07 -0.38 0.00 0.07 0.00 0.00 57.00 56.62 2nr2 n GLN 40 Cb 0.10 -1.60 -0.06 0.00 2.41 0.00 0.00 30.24 31.09 2nr2 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2nr2 s GLN 41 N -3.25 4.21 -0.15 3.69 -0.21 -1.04 -2.52 119.66 120.40 2nr2 s GLN 41 Ca -0.07 0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.93 2nr2 s GLN 41 Cb 0.11 -3.31 0.03 0.00 1.00 0.00 0.00 33.01 30.84 2nr2 s GLN 41 CO 0.87 0.46 -0.11 0.50 -2.12 0.00 0.00 175.29 174.88 2nr2 s ARG 42 N -0.43 1.98 -0.25 2.91 3.52 0.45 -5.03 118.95 122.11 2nr2 s ARG 42 Ca 0.28 -0.55 -0.14 0.00 -0.13 0.00 0.00 55.73 55.20 2nr2 s ARG 42 Cb -0.18 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 2nr2 s ARG 42 CO 0.15 -0.31 0.31 -0.51 -0.81 0.00 0.00 175.30 174.14 2nr2 s LEU 43 N 1.53 4.08 -0.06 -0.88 1.43 -1.26 -1.03 118.68 122.48 2nr2 s LEU 43 Ca 0.03 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2nr2 s LEU 43 Cb -0.14 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2nr2 s LEU 43 CO -0.09 -0.08 0.04 -0.63 0.23 0.00 0.00 176.35 175.81 2nr2 s ILE 44 N 1.62 4.54 -0.02 -0.59 -1.09 0.26 -3.28 121.20 122.64 2nr2 s ILE 44 Ca 0.13 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.29 2nr2 s ILE 44 Cb -0.15 -2.97 0.02 0.00 -1.58 0.00 0.00 42.46 37.79 2nr2 s ILE 44 CO 0.08 0.53 0.05 0.12 -1.23 0.00 0.00 174.94 174.49 2nr2 s PHE 45 N -0.99 -0.01 -1.45 3.97 5.36 -0.75 -0.24 117.98 123.86 2nr2 s PHE 45 Ca 0.16 0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.27 2nr2 s PHE 45 Cb -0.12 -0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 2nr2 s PHE 45 CO 0.06 -0.08 0.27 0.00 -1.46 0.00 0.00 175.22 174.00 2nr2 n ALA 46 N 3.88 -0.84 0.00 11.12 0.00 -1.26 -1.41 120.51 132.00 2nr2 n ALA 46 Ca -0.23 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nr2 n ALA 46 Cb 0.53 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2nr2 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nr2 n GLY 47 N -1.15 2.77 3.71 0.00 0.00 -1.26 -5.00 105.19 104.26 2nr2 n GLY 47 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2nr2 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nr2 s LYS 48 N -0.20 4.41 -0.28 1.61 2.20 -0.50 -5.06 119.74 121.92 2nr2 s LYS 48 Ca 0.00 0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 2nr2 s LYS 48 Cb 0.00 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2nr2 s LYS 48 CO 0.00 0.05 1.38 -0.65 -0.36 0.00 0.00 175.35 175.76 2nr2 s GLN 49 N 0.87 3.88 0.28 4.03 -0.21 -1.26 -1.82 119.66 125.44 2nr2 s GLN 49 Ca 0.36 1.34 -0.17 0.00 0.02 0.00 0.00 55.36 56.91 2nr2 s GLN 49 Cb -0.17 -3.92 -0.09 0.00 1.00 0.00 0.00 33.01 29.83 2nr2 s GLN 49 CO 0.17 -1.17 0.74 -0.51 -2.12 0.00 0.00 175.29 172.40 2nr2 s LEU 50 N 4.58 4.18 -0.02 2.90 1.43 -1.21 -5.03 118.68 125.51 2nr2 s LEU 50 Ca 0.60 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.90 2nr2 s LEU 50 Cb -0.18 -3.88 -0.05 0.00 0.03 0.00 0.00 46.19 42.10 2nr2 s LEU 50 CO 0.25 -0.11 0.41 -0.70 0.23 0.00 0.00 176.35 176.43 2nr2 s GLU 51 N -2.56 3.99 0.15 1.70 2.56 -1.26 -4.88 118.70 118.41 2nr2 s GLU 51 Ca 0.50 0.41 -0.12 0.00 0.00 0.00 0.00 54.97 55.76 2nr2 s GLU 51 Cb -0.13 -3.26 0.01 0.00 2.00 0.00 0.00 34.13 32.76 2nr2 s GLU 51 CO 0.19 0.61 1.58 -0.44 -0.56 0.00 0.00 175.26 176.64 2nr2 h ASP 52 N 5.02 0.90 -0.78 -1.70 3.32 -1.97 -3.15 116.42 118.06 2nr2 h ASP 52 Ca -0.50 -0.33 -0.41 0.00 0.02 0.00 0.00 57.03 55.80 2nr2 h ASP 52 Cb 1.21 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 2nr2 h ASP 52 CO 0.64 1.02 0.30 0.61 -1.72 0.00 0.00 179.24 180.08 2nr2 n GLY 53 N -0.30 4.10 3.33 2.75 0.00 -1.26 -1.46 105.19 112.35 2nr2 n GLY 53 Ca 0.01 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 2nr2 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nr2 s ARG 54 N -1.38 1.49 0.52 1.61 0.52 -1.19 -5.01 118.95 115.51 2nr2 s ARG 54 Ca 0.53 -1.83 0.04 0.00 -0.52 0.00 0.00 55.73 53.95 2nr2 s ARG 54 Cb 0.34 -0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.58 2nr2 s ARG 54 CO -0.14 -0.35 0.24 0.95 0.02 0.00 0.00 175.30 176.02 2nr2 s THR 55 N -3.68 1.53 0.14 0.02 -4.23 -1.26 -1.64 115.64 106.51 2nr2 s THR 55 Ca 0.37 -1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 2nr2 s THR 55 Cb 0.07 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 2nr2 s THR 55 CO 0.15 0.00 1.56 -0.07 -0.54 0.00 0.00 174.62 175.72 2nr2 h LEU 56 N 1.02 0.82 -1.71 4.79 3.38 -1.55 -1.51 115.31 120.55 2nr2 h LEU 56 Ca -0.40 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.25 2nr2 h LEU 56 Cb 1.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2nr2 h LEU 56 CO 0.64 0.97 0.22 -1.28 0.09 0.00 0.00 178.44 179.08 2nr2 h SER 57 N 0.66 0.34 0.25 -0.43 0.87 -1.35 0.15 113.55 114.04 2nr2 h SER 57 Ca 0.12 -0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.33 2nr2 h SER 57 Cb 0.58 -0.08 0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2nr2 h SER 57 CO 0.03 0.24 -1.55 0.44 -0.53 0.00 0.00 176.83 175.46 2nr2 h ASP 58 N 0.40 0.79 0.29 6.23 3.32 -1.76 -3.28 116.42 122.41 2nr2 h ASP 58 Ca 0.13 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.26 2nr2 h ASP 58 Cb 0.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2nr2 h ASP 58 CO -0.03 1.73 -0.08 -1.22 -1.72 0.00 0.00 179.24 177.93 2nr2 n TYR 59 N -3.68 0.00 -2.59 4.55 4.01 -0.60 -4.94 117.16 113.91 2nr2 n TYR 59 Ca -0.19 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.48 2nr2 n TYR 59 Cb 1.10 -0.15 0.01 0.00 -0.31 0.00 0.00 39.34 40.00 2nr2 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2nr2 n ASN 60 N -0.89 -3.02 -4.62 7.72 3.02 -0.53 -5.03 115.26 111.92 2nr2 n ASN 60 Ca 0.16 -0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2nr2 n ASN 60 Cb 0.26 -1.83 -0.06 0.00 -0.61 0.00 0.00 39.78 37.54 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nr2 s ILE 61 N -2.84 4.88 0.00 2.41 1.01 0.42 -5.00 121.20 122.09 2nr2 s ILE 61 Ca 0.12 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2nr2 s ILE 61 Cb -0.05 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2nr2 s ILE 61 CO 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 174.94 174.95 2nr2 n GLN 62 N 5.97 2.78 -1.69 2.79 6.02 -1.26 -4.49 117.38 127.50 2nr2 n GLN 62 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.56 2nr2 n GLN 62 Cb 0.48 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.71 2nr2 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2nr2 n LYS 63 N -0.12 2.50 -2.60 -1.09 2.85 -1.26 -3.09 118.16 115.34 2nr2 n LYS 63 Ca 0.00 0.90 -0.12 0.00 -1.05 0.00 0.00 58.31 58.05 2nr2 n LYS 63 Cb 0.00 -2.74 0.02 0.00 -0.65 0.00 0.00 35.03 31.66 2nr2 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2nr2 n GLU 64 N 4.53 -2.36 -3.12 -1.58 1.02 0.95 -5.00 120.64 115.08 2nr2 n GLU 64 Ca 0.18 0.48 -0.39 0.00 -0.02 0.00 0.00 57.16 57.40 2nr2 n GLU 64 Cb 0.33 -4.45 -0.05 0.00 -0.02 0.00 0.00 31.44 27.24 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2nr2 s SER 65 N -2.81 6.89 -1.01 1.62 0.01 -1.18 -4.68 113.70 112.54 2nr2 s SER 65 Ca 0.14 1.07 -0.20 0.00 1.31 0.00 0.00 55.95 58.27 2nr2 s SER 65 Cb -0.06 -2.38 0.10 0.00 0.21 0.00 0.00 66.02 63.89 2nr2 s SER 65 CO 0.17 -0.10 1.32 -0.89 0.41 0.00 0.00 173.24 174.15 2nr2 s THR 66 N 0.83 4.39 0.63 1.44 2.01 -1.26 -1.69 115.64 121.99 2nr2 s THR 66 Ca 0.34 -1.34 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 2nr2 s THR 66 Cb -0.17 -4.93 -0.03 0.00 0.01 0.00 0.00 72.50 67.38 2nr2 s THR 66 CO 0.16 -1.72 1.04 -0.76 -0.69 0.00 0.00 174.62 172.64 2nr2 s LEU 67 N 3.63 3.27 -0.01 4.42 1.02 0.10 -4.71 118.68 126.41 2nr2 s LEU 67 Ca 0.40 1.55 0.08 0.00 0.02 0.00 0.00 54.13 56.18 2nr2 s LEU 67 Cb -0.02 -4.49 -0.02 0.00 0.02 0.00 0.00 46.19 41.68 2nr2 s LEU 67 CO -0.08 -1.06 -0.25 -1.00 0.02 0.00 0.00 176.35 173.98 2nr2 s HIS 68 N -2.99 2.35 -0.32 0.29 3.76 0.67 -1.82 115.29 117.22 2nr2 s HIS 68 Ca 0.57 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.05 2nr2 s HIS 68 Cb -0.12 -1.49 0.07 0.00 1.11 0.00 0.00 32.58 32.15 2nr2 s HIS 68 CO 0.50 0.01 0.04 -1.17 -0.85 0.00 0.00 174.74 173.26 2nr2 s LEU 69 N -0.75 4.20 -0.34 0.89 2.96 -0.72 -0.57 118.68 124.36 2nr2 s LEU 69 Ca 0.10 -1.50 -0.12 0.00 -0.22 0.00 0.00 54.13 52.39 2nr2 s LEU 69 Cb -0.10 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2nr2 s LEU 69 CO -0.00 -0.32 0.23 -0.69 -1.32 0.00 0.00 176.35 174.25 2nr2 s VAL 70 N 1.19 5.14 0.25 1.68 1.01 -0.20 -4.17 120.40 125.31 2nr2 s VAL 70 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2nr2 s VAL 70 Cb -0.20 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2nr2 s VAL 70 CO -0.02 -0.03 0.42 -0.76 0.00 0.00 0.00 175.10 174.70 2nr2 s LEU 71 N 1.69 4.21 0.23 3.92 1.43 -1.26 -0.41 118.68 128.50 2nr2 s LEU 71 Ca 0.06 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2nr2 s LEU 71 Cb -0.18 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2nr2 s LEU 71 CO 0.10 -0.12 0.34 -0.60 0.23 0.00 0.00 176.35 176.30 2nr2 s ARG 72 N -3.85 3.41 -1.14 1.70 3.52 -1.05 -4.98 118.95 116.56 2nr2 s ARG 72 Ca 0.37 -0.76 -0.20 0.00 -0.13 0.00 0.00 55.73 55.01 2nr2 s ARG 72 Cb -0.10 -2.88 0.08 0.00 -1.56 0.00 0.00 34.95 30.49 2nr2 s ARG 72 CO 0.31 0.44 1.54 -0.51 -0.81 0.00 0.00 175.30 176.26 2nr2 s LEU 73 N -3.90 3.91 -0.07 -0.88 1.43 -1.26 -4.77 118.68 113.13 2nr2 s LEU 73 Ca 0.34 -2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 51.39 2nr2 s LEU 73 Cb -0.09 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 2nr2 s LEU 73 CO 0.29 -1.27 -0.03 -0.09 0.23 0.00 0.00 176.35 175.48 2nr2 h ARG 74 N 8.59 0.00 0.00 1.70 2.43 -1.95 -3.51 114.38 121.64 2nr2 h ARG 74 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2nr2 h ARG 74 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2nr2 h ARG 74 CO 1.40 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 180.27 2nr2 n GLY 75 N 1.80 0.90 0.00 2.80 0.00 -1.26 -5.24 105.19 104.19 2nr2 n GLY 75 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93