#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 4.55 0.34 3.17 0.74 -1.26 -1.78 119.66 125.42 2nr2 s GLN 2 Ca 0.00 1.75 0.03 0.00 0.05 0.00 0.00 55.36 57.19 2nr2 s GLN 2 Cb 0.00 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2nr2 s GLN 2 CO 0.00 -0.01 0.11 0.96 -0.55 0.00 0.00 175.29 175.79 2nr2 s ILE 3 N 0.02 0.74 -0.04 -2.34 -4.36 -0.35 -0.65 121.20 114.22 2nr2 s ILE 3 Ca 0.52 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 2nr2 s ILE 3 Cb -0.30 -2.57 -0.00 0.00 1.25 0.00 0.00 42.46 40.84 2nr2 s ILE 3 CO 0.34 0.00 -0.15 -0.36 0.24 0.00 0.00 174.94 175.01 2nr2 s PHE 4 N -3.40 1.55 -0.24 1.37 0.08 -0.82 -2.09 117.98 114.42 2nr2 s PHE 4 Ca 0.32 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.92 2nr2 s PHE 4 Cb 0.06 -1.06 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2nr2 s PHE 4 CO 0.15 -0.17 -0.08 0.08 -0.10 0.00 0.00 175.22 175.10 2nr2 s VAL 5 N 0.13 2.64 -0.10 -0.44 1.01 0.05 -0.83 120.40 122.86 2nr2 s VAL 5 Ca -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2nr2 s VAL 5 Cb -0.11 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2nr2 s VAL 5 CO 0.02 0.18 -0.02 -0.75 0.00 0.00 0.00 175.10 174.54 2nr2 s LYS 6 N 1.27 3.16 0.68 2.72 2.47 -0.61 -1.11 119.74 128.32 2nr2 s LYS 6 Ca -0.01 -0.46 -0.08 0.00 -1.56 0.00 0.00 55.97 53.86 2nr2 s LYS 6 Cb -0.17 -2.80 0.03 0.00 -1.46 0.00 0.00 37.83 33.43 2nr2 s LYS 6 CO -0.06 0.56 1.02 0.95 0.16 0.00 0.00 175.35 177.98 2nr2 s THR 7 N -0.50 3.03 0.25 3.43 -4.23 -0.94 -1.43 115.64 115.25 2nr2 s THR 7 Ca 0.08 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 2nr2 s THR 7 Cb -0.12 -3.28 0.34 0.00 1.34 0.00 0.00 72.50 70.78 2nr2 s THR 7 CO 0.02 -0.32 1.49 0.18 -0.54 0.00 0.00 174.62 175.45 2nr2 n LEU 8 N -2.87 -0.47 0.05 4.79 4.77 -1.25 -2.91 117.00 119.11 2nr2 n LEU 8 Ca 0.06 1.66 -0.11 0.00 -0.03 0.00 0.00 56.01 57.59 2nr2 n LEU 8 Cb 0.59 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 2nr2 n LEU 8 CO 0.54 -1.54 -0.13 0.71 -1.33 0.00 0.00 177.39 175.64 2nr2 h THR 9 N 0.00 1.38 0.00 -5.08 1.35 -1.96 -3.48 112.91 105.13 2nr2 h THR 9 Ca 0.40 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2nr2 h THR 9 Cb 0.64 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 2nr2 h THR 9 CO -0.97 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 2nr2 n GLY 10 N 1.50 0.00 3.66 5.82 0.00 -1.14 -5.12 105.19 109.90 2nr2 n GLY 10 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 4.22 -0.33 1.61 2.20 -1.26 -4.85 119.74 121.33 2nr2 s LYS 11 Ca 0.00 0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 56.03 2nr2 s LYS 11 Cb 0.00 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2nr2 s LYS 11 CO 0.00 -0.27 0.92 0.99 -0.36 0.00 0.00 175.35 176.63 2nr2 s THR 12 N 2.00 4.64 -0.06 3.43 2.01 -1.26 -2.21 115.64 124.19 2nr2 s THR 12 Ca 0.30 1.33 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 2nr2 s THR 12 Cb -0.16 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2nr2 s THR 12 CO 0.10 -0.42 -0.02 -0.63 -0.69 0.00 0.00 174.62 172.96 2nr2 s ILE 13 N 3.34 4.09 -0.06 1.82 1.01 -0.27 -4.99 121.20 126.13 2nr2 s ILE 13 Ca 0.38 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.67 2nr2 s ILE 13 Cb -0.13 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2nr2 s ILE 13 CO 0.16 0.55 -0.20 -0.89 0.00 0.00 0.00 174.94 174.56 2nr2 s THR 14 N -0.91 2.57 0.01 2.92 2.01 -1.26 -0.77 115.64 120.22 2nr2 s THR 14 Ca 0.14 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2nr2 s THR 14 Cb -0.11 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2nr2 s THR 14 CO 0.04 0.57 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.72 2nr2 s LEU 15 N -0.39 2.11 -0.33 4.42 1.43 -0.89 -4.96 118.68 120.07 2nr2 s LEU 15 Ca 0.04 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 2nr2 s LEU 15 Cb -0.12 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 2nr2 s LEU 15 CO 0.02 -0.05 0.51 -1.61 0.23 0.00 0.00 176.35 175.45 2nr2 s GLU 16 N -0.72 3.70 0.45 1.70 2.02 -1.26 -1.21 118.70 123.38 2nr2 s GLU 16 Ca -0.03 -0.09 0.05 0.00 0.02 0.00 0.00 54.97 54.92 2nr2 s GLU 16 Cb -0.05 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 2nr2 s GLU 16 CO 0.00 -0.59 0.05 0.14 0.02 0.00 0.00 175.26 174.89 2nr2 s VAL 17 N 2.37 1.73 0.28 2.63 -7.23 -0.73 -4.93 120.40 114.52 2nr2 s VAL 17 Ca 0.19 -1.93 0.11 0.00 -1.81 0.00 0.00 61.98 58.54 2nr2 s VAL 17 Cb -0.15 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 2nr2 s VAL 17 CO 0.13 0.00 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.16 2nr2 s GLU 18 N -3.83 1.84 0.51 4.82 0.41 -1.26 0.70 118.70 121.89 2nr2 s GLU 18 Ca 0.26 -1.69 0.34 0.00 -0.41 0.00 0.00 54.97 53.47 2nr2 s GLU 18 Cb 0.06 -1.86 1.67 0.00 -1.78 0.00 0.00 34.13 32.21 2nr2 s GLU 18 CO 0.14 0.33 2.03 -1.35 -0.49 0.00 0.00 175.26 175.91 2nr2 h PRO 19 N 2.16 0.00 -0.47 0.39 0.11 -1.93 -0.10 132.00 132.17 2nr2 h PRO 19 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2nr2 h PRO 19 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2nr2 h PRO 19 CO 0.61 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 2nr2 n SER 20 N -2.81 5.05 -4.77 -2.05 7.64 -1.26 -1.55 113.62 113.86 2nr2 n SER 20 Ca -0.01 -2.94 -0.39 0.00 1.01 0.00 0.00 58.87 56.54 2nr2 n SER 20 Cb 0.16 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.20 7.46 0.55 6.43 1.01 -0.05 -4.84 116.67 126.02 2nr2 s ASP 21 Ca 0.50 1.77 -0.15 0.00 0.71 0.00 0.00 52.55 55.39 2nr2 s ASP 21 Cb 0.39 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.70 2nr2 s ASP 21 CO 0.14 0.14 1.00 0.42 0.21 0.00 0.00 175.17 177.07 2nr2 s THR 22 N -1.26 4.59 0.24 -1.27 -4.23 -1.26 -0.99 115.64 111.47 2nr2 s THR 22 Ca 0.40 1.11 -0.06 0.00 -1.18 0.00 0.00 61.69 61.96 2nr2 s THR 22 Cb -0.23 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.07 2nr2 s THR 22 CO 0.28 -0.84 1.89 0.40 -0.54 0.00 0.00 174.62 175.81 2nr2 h ILE 23 N 0.52 1.15 -0.85 2.99 1.08 -1.32 -1.59 117.51 119.49 2nr2 h ILE 23 Ca -0.46 -0.39 0.21 0.00 -0.39 0.00 0.00 64.86 63.84 2nr2 h ILE 23 Cb 1.19 -0.09 -0.13 0.00 -3.07 0.00 0.00 36.82 34.72 2nr2 h ILE 23 CO 0.62 0.21 0.23 -0.08 -0.69 0.00 0.00 178.15 178.43 2nr2 h GLU 24 N 1.13 0.23 -0.17 2.37 4.81 -1.72 -0.17 114.58 121.07 2nr2 h GLU 24 Ca 0.36 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.42 2nr2 h GLU 24 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2nr2 h GLU 24 CO -0.12 0.15 -0.55 -0.91 -0.73 0.00 0.00 179.01 176.85 2nr2 h ASN 25 N 0.24 0.55 -0.48 1.04 4.21 -1.63 -0.28 115.58 119.23 2nr2 h ASN 25 Ca 0.52 -0.29 0.03 0.00 1.21 0.00 0.00 56.30 57.76 2nr2 h ASN 25 Cb 1.00 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 38.01 2nr2 h ASN 25 CO -0.61 0.99 0.27 0.58 -1.29 0.00 0.00 177.43 177.37 2nr2 h VAL 26 N 0.38 1.02 -0.35 2.81 2.07 -0.89 0.13 116.25 121.42 2nr2 h VAL 26 Ca 0.01 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2nr2 h VAL 26 Cb 1.08 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2nr2 h VAL 26 CO 0.10 0.10 -0.10 0.11 0.02 0.00 0.00 177.57 177.79 2nr2 h LYS 27 N 0.54 0.61 0.00 1.57 1.57 -0.88 -2.81 116.57 117.16 2nr2 h LYS 27 Ca 0.20 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2nr2 h LYS 27 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2nr2 h LYS 27 CO -0.11 0.70 -0.37 0.00 -0.57 0.00 0.00 179.45 179.11 2nr2 h ALA 28 N 1.33 1.31 0.00 3.86 0.00 -0.23 -1.49 119.26 124.04 2nr2 h ALA 28 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2nr2 h ALA 28 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2nr2 h ALA 28 CO 0.03 0.46 -0.06 0.87 0.00 0.00 0.00 179.25 180.56 2nr2 h LYS 29 N 0.00 0.00 0.00 0.00 1.57 -0.53 -0.46 116.57 117.15 2nr2 h LYS 29 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2nr2 h LYS 29 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2nr2 h LYS 29 CO 0.05 0.06 -0.91 0.82 -0.57 0.00 0.00 179.45 178.89 2nr2 h ILE 30 N 0.00 0.47 0.00 1.86 1.08 -1.12 -0.78 117.51 119.02 2nr2 h ILE 30 Ca -0.00 -1.79 -0.05 0.00 -0.39 0.00 0.00 64.86 62.63 2nr2 h ILE 30 Cb 0.33 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 2nr2 h ILE 30 CO 0.01 0.27 -0.26 -0.61 -0.69 0.00 0.00 178.15 176.87 2nr2 h GLN 31 N 0.00 0.00 -0.08 2.37 4.15 -0.23 0.26 115.11 121.58 2nr2 h GLN 31 Ca -0.07 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.12 2nr2 h GLN 31 Cb 1.36 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.06 2nr2 h GLN 31 CO 0.04 0.26 -0.86 0.22 -1.93 0.00 0.00 178.83 176.56 2nr2 h ASP 32 N 0.00 0.90 0.00 -0.69 3.58 -1.14 -3.28 116.42 115.79 2nr2 h ASP 32 Ca -0.00 -0.68 0.00 0.00 0.42 0.00 0.00 57.03 56.77 2nr2 h ASP 32 Cb 1.05 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2nr2 h ASP 32 CO 0.03 1.44 -0.14 0.50 -2.88 0.00 0.00 179.24 178.20 2nr2 h LYS 33 N 0.43 0.00 0.05 0.28 3.11 -0.89 -3.43 116.57 116.12 2nr2 h LYS 33 Ca -0.08 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.50 2nr2 h LYS 33 Cb 1.50 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.71 2nr2 h LYS 33 CO 0.17 0.00 -1.27 0.93 -2.81 0.00 0.00 179.45 176.47 2nr2 h GLU 34 N -0.37 0.10 -0.28 1.90 4.39 -0.80 -3.48 114.58 116.04 2nr2 h GLU 34 Ca 0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2nr2 h GLU 34 Cb 0.14 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2nr2 h GLU 34 CO 0.00 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.24 2nr2 n GLY 35 N 1.48 0.84 3.27 -3.84 0.00 -0.28 -5.01 105.19 101.65 2nr2 n GLY 35 Ca -0.08 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2nr2 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr2 s ILE 36 N -1.97 2.01 0.63 -0.61 1.01 -1.22 -4.97 121.20 116.08 2nr2 s ILE 36 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.42 2nr2 s ILE 36 Cb 0.00 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2nr2 s ILE 36 CO 0.00 0.56 1.15 -2.84 0.00 0.00 0.00 174.94 173.81 2nr2 s PRO 37 N -0.29 2.88 0.13 2.79 0.02 -1.26 -3.23 135.00 136.04 2nr2 s PRO 37 Ca 0.01 1.58 0.26 0.00 0.02 0.00 0.00 61.00 62.87 2nr2 s PRO 37 Cb -0.12 -1.94 0.96 0.00 0.02 0.00 0.00 34.50 33.41 2nr2 s PRO 37 CO 0.02 -1.22 1.80 -0.35 -0.33 0.00 0.00 177.00 176.92 2nr2 n PRO 38 N -2.02 0.16 -0.02 5.54 -0.04 -1.26 -2.33 135.00 135.03 2nr2 n PRO 38 Ca 0.12 0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2nr2 n PRO 38 Cb 0.51 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2nr2 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2nr2 h ASP 39 N 0.00 0.83 0.71 3.54 3.58 -1.94 -3.27 116.42 119.87 2nr2 h ASP 39 Ca 0.00 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 56.89 2nr2 h ASP 39 Cb 0.60 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2nr2 h ASP 39 CO 0.00 1.28 -0.28 -0.61 -2.88 0.00 0.00 179.24 176.75 2nr2 h GLN 40 N 0.51 0.00 -6.34 0.28 4.15 -1.84 -3.45 115.11 108.42 2nr2 h GLN 40 Ca -0.02 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.84 2nr2 h GLN 40 Cb 1.28 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 2nr2 h GLN 40 CO 0.14 0.28 -0.04 -0.65 -1.93 0.00 0.00 178.83 176.63 2nr2 s GLN 41 N -3.80 4.07 0.07 1.69 -0.21 -1.17 -0.79 119.66 119.52 2nr2 s GLN 41 Ca -0.01 0.61 0.04 0.00 0.02 0.00 0.00 55.36 56.03 2nr2 s GLN 41 Cb 0.12 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 2nr2 s GLN 41 CO 0.66 0.51 -0.12 1.03 -2.12 0.00 0.00 175.29 175.24 2nr2 s ARG 42 N -1.75 0.76 -0.10 2.91 0.52 -0.12 -4.81 118.95 116.36 2nr2 s ARG 42 Ca 0.36 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2nr2 s ARG 42 Cb -0.16 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 2nr2 s ARG 42 CO 0.19 0.15 0.02 -0.51 0.02 0.00 0.00 175.30 175.17 2nr2 s LEU 43 N -1.75 3.66 0.04 2.53 1.43 -1.26 -1.12 118.68 122.21 2nr2 s LEU 43 Ca -0.03 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2nr2 s LEU 43 Cb -0.10 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2nr2 s LEU 43 CO 0.02 0.36 -0.10 -0.63 0.23 0.00 0.00 176.35 176.22 2nr2 s ILE 44 N -0.76 3.37 -0.28 -0.59 1.01 0.14 -0.86 121.20 123.23 2nr2 s ILE 44 Ca 0.12 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.53 2nr2 s ILE 44 Cb -0.12 -2.49 0.11 0.00 0.01 0.00 0.00 42.46 39.97 2nr2 s ILE 44 CO 0.02 0.30 0.91 0.12 0.00 0.00 0.00 174.94 176.29 2nr2 s PHE 45 N -1.05 -0.64 -1.53 3.97 5.36 -0.60 -0.22 117.98 123.27 2nr2 s PHE 45 Ca 0.18 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 2nr2 s PHE 45 Cb -0.11 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 2nr2 s PHE 45 CO 0.09 -0.31 0.00 0.00 -1.46 0.00 0.00 175.22 173.54 2nr2 n ALA 46 N 2.84 -0.22 0.00 11.12 0.00 -1.26 -2.03 120.51 130.96 2nr2 n ALA 46 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2nr2 n ALA 46 Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.06 3.19 3.92 0.00 0.00 -1.26 -5.05 105.19 104.93 2nr2 n GLY 47 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2nr2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nr2 s LYS 48 N -0.47 3.55 -0.10 1.61 -0.14 -0.86 -5.10 119.74 118.23 2nr2 s LYS 48 Ca 0.00 -0.15 -0.15 0.00 -1.36 0.00 0.00 55.97 54.31 2nr2 s LYS 48 Cb 0.00 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.46 2nr2 s LYS 48 CO 0.00 0.16 0.36 -0.65 -0.76 0.00 0.00 175.35 174.46 2nr2 s GLN 49 N -3.99 4.11 0.06 1.68 -0.21 -1.26 -1.55 119.66 118.50 2nr2 s GLN 49 Ca 0.42 0.27 -0.29 0.00 0.02 0.00 0.00 55.36 55.78 2nr2 s GLN 49 Cb -0.10 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 2nr2 s GLN 49 CO 0.34 0.40 0.92 -0.51 -2.12 0.00 0.00 175.29 174.32 2nr2 s LEU 50 N -0.09 4.45 0.40 2.90 1.43 -0.04 -4.99 118.68 122.75 2nr2 s LEU 50 Ca 0.21 1.67 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 2nr2 s LEU 50 Cb -0.15 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 2nr2 s LEU 50 CO 0.08 -0.10 1.26 -1.61 0.23 0.00 0.00 176.35 176.21 2nr2 s GLU 51 N 0.28 4.01 -0.09 1.70 0.41 -1.26 -4.65 118.70 119.10 2nr2 s GLU 51 Ca 0.46 2.06 -0.14 0.00 -0.41 0.00 0.00 54.97 56.94 2nr2 s GLU 51 Cb -0.22 -2.75 -0.11 0.00 -1.78 0.00 0.00 34.13 29.28 2nr2 s GLU 51 CO 0.28 -0.43 0.48 -0.44 -0.49 0.00 0.00 175.26 174.66 2nr2 h ASP 52 N 2.70 -0.11 0.00 -0.19 3.32 -1.95 -3.24 116.42 116.94 2nr2 h ASP 52 Ca -0.49 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.24 2nr2 h ASP 52 Cb 1.24 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2nr2 h ASP 52 CO 0.63 0.50 -0.02 0.61 -1.72 0.00 0.00 179.24 179.23 2nr2 n GLY 53 N 1.24 2.26 3.54 2.75 0.00 -1.26 -2.24 105.19 111.49 2nr2 n GLY 53 Ca -0.05 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 0.37 1.90 0.82 1.61 1.81 -1.22 -5.00 118.95 119.24 2nr2 s ARG 54 Ca 0.05 -1.70 -0.08 0.00 -1.72 0.00 0.00 55.73 52.28 2nr2 s ARG 54 Cb 0.02 -1.88 0.15 0.00 -0.45 0.00 0.00 34.95 32.79 2nr2 s ARG 54 CO 0.00 0.29 1.14 0.95 -0.68 0.00 0.00 175.30 177.00 2nr2 s THR 55 N -2.48 2.09 0.06 0.02 -4.23 -1.26 -1.87 115.64 107.97 2nr2 s THR 55 Ca 0.31 -0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 2nr2 s THR 55 Cb -0.04 -2.78 -0.13 0.00 1.34 0.00 0.00 72.50 70.89 2nr2 s THR 55 CO 0.17 0.00 1.34 -0.07 -0.54 0.00 0.00 174.62 175.52 2nr2 h LEU 56 N -1.01 0.53 -1.65 4.79 3.38 -1.10 -3.25 115.31 117.00 2nr2 h LEU 56 Ca -0.40 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 2nr2 h LEU 56 Cb 1.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2nr2 h LEU 56 CO 0.41 0.94 -0.12 -1.28 0.09 0.00 0.00 178.44 178.47 2nr2 h SER 57 N 0.14 0.06 -0.42 -0.43 0.87 -1.50 -0.45 113.55 111.82 2nr2 h SER 57 Ca 0.02 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2nr2 h SER 57 Cb 0.81 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 2nr2 h SER 57 CO 0.06 0.19 0.19 -0.78 -0.53 0.00 0.00 176.83 175.96 2nr2 h ASP 58 N 0.06 0.26 0.11 6.23 3.58 -1.85 -1.76 116.42 123.05 2nr2 h ASP 58 Ca 0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2nr2 h ASP 58 Cb 0.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2nr2 h ASP 58 CO 0.02 0.19 -0.07 -1.22 -2.88 0.00 0.00 179.24 175.28 2nr2 n TYR 59 N -4.95 0.00 -2.48 0.28 4.01 -0.89 -4.93 117.16 108.21 2nr2 n TYR 59 Ca 0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.70 2nr2 n TYR 59 Cb 0.12 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.41 -2.54 -4.68 7.72 3.02 -0.66 -5.04 115.26 112.67 2nr2 n ASN 60 Ca 0.18 -0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.09 2nr2 n ASN 60 Cb 0.29 -2.39 -0.08 0.00 -0.61 0.00 0.00 39.78 36.99 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 -3.15 5.28 0.00 2.41 1.01 -0.23 -4.98 121.20 121.54 2nr2 s ILE 61 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2nr2 s ILE 61 Cb -0.01 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2nr2 s ILE 61 CO 0.30 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.55 2nr2 n GLN 62 N 4.21 1.30 -2.42 2.79 6.02 -1.26 -4.44 117.38 123.58 2nr2 n GLN 62 Ca -0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.54 2nr2 n GLN 62 Cb 0.52 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.75 2nr2 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2nr2 s LYS 63 N -0.99 3.70 -1.28 -1.09 -2.85 -1.26 -4.26 119.74 111.70 2nr2 s LYS 63 Ca 0.00 1.30 0.00 0.00 -1.00 0.00 0.00 55.97 56.27 2nr2 s LYS 63 Cb 0.00 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 2nr2 s LYS 63 CO 0.00 -0.51 0.00 0.39 0.10 0.00 0.00 175.35 175.33 2nr2 n GLU 64 N -1.24 -1.09 -4.46 1.78 1.02 0.18 -4.98 120.64 111.85 2nr2 n GLU 64 Ca 0.09 0.77 -0.34 0.00 -0.02 0.00 0.00 57.16 57.66 2nr2 n GLU 64 Cb 0.53 -5.00 -0.11 0.00 -0.02 0.00 0.00 31.44 26.83 2nr2 n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2nr2 s SER 65 N -2.50 4.85 -0.62 1.62 0.15 -1.26 -4.87 113.70 111.08 2nr2 s SER 65 Ca 0.00 -0.04 -0.27 0.00 0.70 0.00 0.00 55.95 56.34 2nr2 s SER 65 Cb 0.00 -1.55 0.04 0.00 -1.71 0.00 0.00 66.02 62.80 2nr2 s SER 65 CO 0.00 0.27 1.14 -0.89 1.20 0.00 0.00 173.24 174.95 2nr2 s THR 66 N -0.22 4.06 -0.13 6.45 2.01 -1.26 -1.95 115.64 124.61 2nr2 s THR 66 Ca 0.04 0.55 -0.18 0.00 0.31 0.00 0.00 61.69 62.41 2nr2 s THR 66 Cb -0.13 -4.72 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 2nr2 s THR 66 CO 0.02 -1.41 0.49 -0.76 -0.69 0.00 0.00 174.62 172.27 2nr2 s LEU 67 N 4.83 4.26 -0.34 4.42 1.43 -0.01 -4.90 118.68 128.38 2nr2 s LEU 67 Ca 0.37 0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.09 2nr2 s LEU 67 Cb -0.09 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.41 2nr2 s LEU 67 CO 0.20 -0.03 0.57 -1.00 0.23 0.00 0.00 176.35 176.32 2nr2 s HIS 68 N 0.77 3.18 0.01 0.29 3.76 0.69 -1.57 115.29 122.43 2nr2 s HIS 68 Ca 0.26 0.32 -0.23 0.00 -0.15 0.00 0.00 55.06 55.26 2nr2 s HIS 68 Cb -0.15 -2.99 -0.05 0.00 1.11 0.00 0.00 32.58 30.50 2nr2 s HIS 68 CO 0.10 -0.54 0.69 -1.17 -0.85 0.00 0.00 174.74 172.98 2nr2 s LEU 69 N 2.52 4.42 0.00 0.89 2.96 -0.51 0.23 118.68 129.20 2nr2 s LEU 69 Ca 0.22 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 2nr2 s LEU 69 Cb -0.15 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.44 2nr2 s LEU 69 CO 0.13 0.03 0.05 1.33 -1.32 0.00 0.00 176.35 176.57 2nr2 n VAL 70 N 2.88 0.00 -4.28 1.68 0.24 -0.27 -3.87 118.33 114.71 2nr2 n VAL 70 Ca -0.04 -0.66 -0.28 0.00 -2.04 0.00 0.00 64.34 61.33 2nr2 n VAL 70 Cb 0.51 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 2nr2 n VAL 70 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2nr2 n LEU 71 N 0.00 0.00 -4.83 1.34 4.77 -1.26 -0.95 117.00 116.07 2nr2 n LEU 71 Ca -0.01 -2.86 -0.31 0.00 -0.03 0.00 0.00 56.01 52.81 2nr2 n LEU 71 Cb 0.17 0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 2nr2 n LEU 71 CO 0.09 -0.50 0.72 0.00 -1.33 0.00 0.00 177.39 176.37 2nr2 s ARG 72 N -3.93 2.89 0.48 3.23 1.70 0.03 -4.47 118.95 118.88 2nr2 s ARG 72 Ca 0.15 0.80 0.01 0.00 -0.47 0.00 0.00 55.73 56.22 2nr2 s ARG 72 Cb -0.01 -2.00 0.01 0.00 -0.57 0.00 0.00 34.95 32.38 2nr2 s ARG 72 CO 0.09 -1.09 0.69 -0.51 -1.08 0.00 0.00 175.30 173.40 2nr2 s LEU 73 N -5.50 3.53 0.10 -1.89 1.43 -1.26 -5.09 118.68 110.00 2nr2 s LEU 73 Ca 0.58 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2nr2 s LEU 73 Cb -0.13 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 2nr2 s LEU 73 CO 0.54 -0.85 0.27 -0.13 0.23 0.00 0.00 176.35 176.41 2nr2 s ARG 74 N -4.60 3.49 0.00 1.70 1.81 -1.26 -4.98 118.95 115.11 2nr2 s ARG 74 Ca 0.52 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.16 2nr2 s ARG 74 Cb -0.10 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 2nr2 s ARG 74 CO 0.37 0.55 0.00 0.41 -0.68 0.00 0.00 175.30 175.95 2nr2 n GLY 75 N 0.07 -0.31 0.50 -3.53 0.00 -1.26 -5.34 105.19 95.33 2nr2 n GLY 75 Ca -0.05 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93