#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 3.67 0.31 3.17 0.74 -1.26 -0.04 119.66 126.25 2nr2 s GLN 2 Ca 0.00 -0.09 0.09 0.00 0.05 0.00 0.00 55.36 55.41 2nr2 s GLN 2 Cb 0.00 -3.79 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 2nr2 s GLN 2 CO 0.00 -0.63 0.06 0.96 -0.55 0.00 0.00 175.29 175.13 2nr2 s ILE 3 N 2.43 3.09 -0.06 -2.34 -4.36 -0.16 0.45 121.20 120.24 2nr2 s ILE 3 Ca 0.20 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 58.80 2nr2 s ILE 3 Cb -0.15 -2.88 -0.01 0.00 1.25 0.00 0.00 42.46 40.67 2nr2 s ILE 3 CO 0.13 -0.26 -0.24 -0.36 0.24 0.00 0.00 174.94 174.46 2nr2 s PHE 4 N -2.41 2.34 -0.10 1.37 0.08 0.78 -1.84 117.98 118.20 2nr2 s PHE 4 Ca 0.35 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.68 2nr2 s PHE 4 Cb -0.03 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2nr2 s PHE 4 CO 0.21 -0.25 -0.22 0.08 -0.10 0.00 0.00 175.22 174.93 2nr2 s VAL 5 N -0.03 2.20 -0.27 -0.44 1.01 -0.00 -1.07 120.40 121.79 2nr2 s VAL 5 Ca -0.07 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 2nr2 s VAL 5 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2nr2 s VAL 5 CO 0.04 0.56 0.39 -0.54 0.00 0.00 0.00 175.10 175.55 2nr2 s LYS 6 N 0.32 4.01 0.32 2.72 -0.14 0.00 -0.51 119.74 126.46 2nr2 s LYS 6 Ca -0.17 0.06 -0.03 0.00 -1.36 0.00 0.00 55.97 54.47 2nr2 s LYS 6 Cb -0.18 -3.66 0.07 0.00 -1.68 0.00 0.00 37.83 32.38 2nr2 s LYS 6 CO 0.08 -0.30 0.44 0.25 -0.76 0.00 0.00 175.35 175.06 2nr2 n THR 7 N 5.13 0.00 0.01 2.17 -2.24 -0.86 -1.31 114.28 117.18 2nr2 n THR 7 Ca -0.08 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.14 2nr2 n THR 7 Cb 0.51 -1.47 -0.12 0.00 -2.10 0.00 0.00 70.33 67.14 2nr2 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2nr2 h LEU 8 N 0.00 0.00 0.00 3.22 3.38 -1.88 -3.37 115.31 116.66 2nr2 h LEU 8 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2nr2 h LEU 8 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2nr2 h LEU 8 CO 0.13 0.93 0.00 0.35 0.09 0.00 0.00 178.44 179.93 2nr2 n THR 9 N -3.12 0.19 0.00 0.22 -2.24 -1.26 -4.87 114.28 103.21 2nr2 n THR 9 Ca -0.11 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2nr2 n THR 9 Cb 0.98 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.04 0.93 3.88 3.38 0.00 -1.26 -5.09 105.19 108.08 2nr2 n GLY 10 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.69 3.65 -0.30 1.61 2.20 -1.26 -4.97 119.74 119.99 2nr2 s LYS 11 Ca 0.00 0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.55 2nr2 s LYS 11 Cb 0.00 -3.05 -0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2nr2 s LYS 11 CO 0.00 0.62 0.12 0.99 -0.36 0.00 0.00 175.35 176.71 2nr2 s THR 12 N -1.33 4.30 -0.17 3.43 2.01 -1.26 -2.04 115.64 120.59 2nr2 s THR 12 Ca 0.29 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 2nr2 s THR 12 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2nr2 s THR 12 CO 0.17 0.09 0.51 -0.63 -0.69 0.00 0.00 174.62 174.06 2nr2 s ILE 13 N 1.56 5.13 -0.37 1.82 1.01 0.33 -4.92 121.20 125.77 2nr2 s ILE 13 Ca 0.04 0.97 -0.16 0.00 0.00 0.00 0.00 60.65 61.50 2nr2 s ILE 13 Cb -0.17 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 2nr2 s ILE 13 CO 0.04 0.23 0.39 -0.89 0.00 0.00 0.00 174.94 174.72 2nr2 s THR 14 N 1.25 5.14 0.19 2.92 2.01 -1.26 -0.82 115.64 125.07 2nr2 s THR 14 Ca 0.25 -0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.29 2nr2 s THR 14 Cb -0.15 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2nr2 s THR 14 CO 0.10 -0.20 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.83 2nr2 s LEU 15 N 2.06 2.44 0.01 4.42 1.43 -0.76 -5.02 118.68 123.26 2nr2 s LEU 15 Ca 0.12 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2nr2 s LEU 15 Cb -0.17 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2nr2 s LEU 15 CO 0.12 0.11 -0.04 -1.61 0.23 0.00 0.00 176.35 175.16 2nr2 s GLU 16 N -2.70 2.61 0.07 1.70 2.02 -1.26 -0.99 118.70 120.15 2nr2 s GLU 16 Ca 0.21 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.33 2nr2 s GLU 16 Cb -0.08 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.63 2nr2 s GLU 16 CO 0.10 0.60 0.37 0.14 0.02 0.00 0.00 175.26 176.49 2nr2 s VAL 17 N -1.07 0.07 0.22 2.63 -7.23 0.94 -4.92 120.40 111.03 2nr2 s VAL 17 Ca 0.19 -0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 2nr2 s VAL 17 Cb -0.11 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 2nr2 s VAL 17 CO 0.10 -0.32 0.43 -1.61 -0.31 0.00 0.00 175.10 173.39 2nr2 s GLU 18 N -2.89 3.56 0.09 4.82 0.41 -1.26 0.16 118.70 123.60 2nr2 s GLU 18 Ca -0.03 -0.23 0.22 0.00 -0.41 0.00 0.00 54.97 54.53 2nr2 s GLU 18 Cb 0.00 -2.79 0.90 0.00 -1.78 0.00 0.00 34.13 30.46 2nr2 s GLU 18 CO -0.05 0.36 1.70 -0.35 -0.49 0.00 0.00 175.26 176.42 2nr2 n PRO 19 N -0.66 0.09 0.00 0.39 -0.04 -1.26 -2.44 135.00 131.08 2nr2 n PRO 19 Ca -0.04 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2nr2 n PRO 19 Cb 0.54 -1.64 0.47 0.00 -0.04 0.00 0.00 33.50 32.83 2nr2 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2nr2 n SER 20 N -1.80 0.00 -4.90 3.54 3.41 -1.26 -0.32 113.62 112.29 2nr2 n SER 20 Ca 0.04 -1.40 -0.30 0.00 -0.26 0.00 0.00 58.87 56.95 2nr2 n SER 20 Cb 0.27 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2nr2 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2nr2 s ASP 21 N -1.55 6.50 0.59 4.04 1.01 -1.02 -4.89 116.67 121.35 2nr2 s ASP 21 Ca 0.24 0.69 -0.09 0.00 0.71 0.00 0.00 52.55 54.10 2nr2 s ASP 21 Cb 0.11 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 2nr2 s ASP 21 CO 0.18 -0.06 0.96 0.42 0.21 0.00 0.00 175.17 176.89 2nr2 s THR 22 N -1.84 4.50 0.38 -1.27 -4.23 -1.26 -1.65 115.64 110.27 2nr2 s THR 22 Ca 0.43 0.56 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 2nr2 s THR 22 Cb -0.11 -3.78 0.24 0.00 1.34 0.00 0.00 72.50 70.19 2nr2 s THR 22 CO 0.26 -0.93 2.01 0.40 -0.54 0.00 0.00 174.62 175.81 2nr2 h ILE 23 N -0.21 1.14 -1.07 2.99 1.08 -1.56 -1.93 117.51 117.97 2nr2 h ILE 23 Ca -0.45 -0.34 0.28 0.00 -0.39 0.00 0.00 64.86 63.96 2nr2 h ILE 23 Cb 1.21 0.51 -0.10 0.00 -3.07 0.00 0.00 36.82 35.37 2nr2 h ILE 23 CO 0.62 0.15 0.69 -0.33 -0.69 0.00 0.00 178.15 178.59 2nr2 h GLU 24 N 0.64 0.35 -0.30 2.37 4.39 -1.85 -2.68 114.58 117.49 2nr2 h GLU 24 Ca 0.17 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2nr2 h GLU 24 Cb 0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2nr2 h GLU 24 CO -0.03 0.23 0.09 -0.97 -1.16 0.00 0.00 179.01 177.17 2nr2 h ASN 25 N 0.36 0.38 -0.39 1.42 -0.00 -1.71 -2.09 115.58 113.55 2nr2 h ASN 25 Ca 0.62 -0.04 -0.13 0.00 -0.00 0.00 0.00 56.30 56.75 2nr2 h ASN 25 Cb 1.62 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 39.83 2nr2 h ASN 25 CO -0.31 0.38 -0.26 0.58 -0.00 0.00 0.00 177.43 177.83 2nr2 h VAL 26 N 0.42 1.28 -0.22 2.57 2.07 -1.55 -2.27 116.25 118.54 2nr2 h VAL 26 Ca 0.10 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 2nr2 h VAL 26 Cb 0.14 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2nr2 h VAL 26 CO -0.01 0.47 -0.28 0.11 0.02 0.00 0.00 177.57 177.89 2nr2 h LYS 27 N 0.67 0.44 -0.68 1.57 1.57 -1.42 -0.63 116.57 118.08 2nr2 h LYS 27 Ca 0.08 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2nr2 h LYS 27 Cb 0.83 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2nr2 h LYS 27 CO 0.07 0.68 0.24 0.00 -0.57 0.00 0.00 179.45 179.88 2nr2 h ALA 28 N 1.32 0.88 -0.70 3.86 0.00 -1.14 -1.24 119.26 122.25 2nr2 h ALA 28 Ca 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2nr2 h ALA 28 Cb 0.69 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2nr2 h ALA 28 CO 0.05 0.53 0.30 0.87 0.00 0.00 0.00 179.25 181.00 2nr2 h LYS 29 N 0.97 1.02 -0.48 0.00 1.57 -1.17 -1.97 116.57 116.52 2nr2 h LYS 29 Ca 0.22 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2nr2 h LYS 29 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2nr2 h LYS 29 CO -0.01 0.81 0.19 0.82 -0.57 0.00 0.00 179.45 180.68 2nr2 h ILE 30 N 1.00 1.18 -0.09 1.86 2.04 -0.78 0.20 117.51 122.92 2nr2 h ILE 30 Ca 0.24 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2nr2 h ILE 30 Cb 0.16 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2nr2 h ILE 30 CO -0.02 0.22 -0.28 -0.61 0.00 0.00 0.00 178.15 177.45 2nr2 h GLN 31 N 0.68 0.17 0.13 2.37 4.15 -0.78 0.37 115.11 122.20 2nr2 h GLN 31 Ca 0.17 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 2nr2 h GLN 31 Cb 0.14 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2nr2 h GLN 31 CO -0.02 0.44 -0.06 0.22 -1.93 0.00 0.00 178.83 177.48 2nr2 h ASP 32 N 0.15 -0.15 0.02 -0.69 3.58 -0.59 -2.76 116.42 115.98 2nr2 h ASP 32 Ca 0.02 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2nr2 h ASP 32 Cb 0.58 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2nr2 h ASP 32 CO 0.04 0.43 -0.01 0.11 -2.88 0.00 0.00 179.24 176.93 2nr2 h LYS 33 N -0.84 -0.02 0.00 0.28 1.79 -0.56 -3.40 116.57 113.82 2nr2 h LYS 33 Ca -0.02 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.18 2nr2 h LYS 33 Cb 0.55 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 2nr2 h LYS 33 CO 0.03 0.25 -1.92 0.39 -1.08 0.00 0.00 179.45 177.12 2nr2 n GLU 34 N -4.97 0.35 0.00 3.15 -0.58 0.12 -5.06 120.64 113.66 2nr2 n GLU 34 Ca -0.08 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2nr2 n GLU 34 Cb 0.16 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 2.05 1.59 3.73 0.62 0.00 -0.55 -5.00 105.19 107.62 2nr2 n GLY 35 Ca -0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.77 5.07 0.82 -0.61 1.01 -1.25 -4.94 121.20 119.53 2nr2 s ILE 36 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 2nr2 s ILE 36 Cb 0.00 -3.94 0.09 0.00 0.01 0.00 0.00 42.46 38.62 2nr2 s ILE 36 CO 0.00 0.31 1.09 -2.84 0.00 0.00 0.00 174.94 173.51 2nr2 s PRO 37 N 0.54 1.84 0.00 2.79 0.02 -1.26 -3.82 135.00 135.11 2nr2 s PRO 37 Ca 0.32 1.08 0.29 0.00 0.02 0.00 0.00 61.00 62.71 2nr2 s PRO 37 Cb -0.17 -1.86 1.29 0.00 0.02 0.00 0.00 34.50 33.78 2nr2 s PRO 37 CO 0.15 -1.91 1.88 -0.35 -0.33 0.00 0.00 177.00 176.45 2nr2 n PRO 38 N -3.69 1.14 0.08 5.54 -0.04 -1.26 -2.92 135.00 133.85 2nr2 n PRO 38 Ca 0.08 -0.47 -0.00 0.00 -0.04 0.00 0.00 63.50 63.07 2nr2 n PRO 38 Cb 0.54 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2nr2 n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2nr2 h ASP 39 N 1.14 0.00 0.54 3.54 2.03 -1.98 -3.35 116.42 118.35 2nr2 h ASP 39 Ca 0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 2nr2 h ASP 39 Cb 0.34 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.82 2nr2 h ASP 39 CO 0.00 0.63 -1.46 1.56 -1.03 0.00 0.00 179.24 178.94 2nr2 h GLN 40 N 0.00 0.20 -6.16 4.15 4.20 -1.91 -3.46 115.11 112.13 2nr2 h GLN 40 Ca -0.08 -0.34 -0.57 0.00 0.06 0.00 0.00 58.65 57.72 2nr2 h GLN 40 Cb 1.55 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.41 2nr2 h GLN 40 CO 0.07 1.05 0.84 -0.65 -0.67 0.00 0.00 178.83 179.47 2nr2 s GLN 41 N -2.63 4.26 0.32 1.46 -0.21 -1.24 -4.10 119.66 117.53 2nr2 s GLN 41 Ca -0.07 1.59 0.07 0.00 0.02 0.00 0.00 55.36 56.97 2nr2 s GLN 41 Cb 0.07 -3.70 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 2nr2 s GLN 41 CO 0.85 -0.64 0.37 1.03 -2.12 0.00 0.00 175.29 174.78 2nr2 s ARG 42 N 3.19 2.96 -0.04 2.91 0.52 -0.45 -4.97 118.95 123.07 2nr2 s ARG 42 Ca 0.52 -1.12 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2nr2 s ARG 42 Cb -0.21 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.60 2nr2 s ARG 42 CO 0.14 0.12 -0.12 -0.51 0.02 0.00 0.00 175.30 174.95 2nr2 s LEU 43 N -4.06 1.76 -0.11 2.53 1.02 -1.26 -2.12 118.68 116.43 2nr2 s LEU 43 Ca 0.42 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.33 2nr2 s LEU 43 Cb -0.08 -0.72 0.02 0.00 0.02 0.00 0.00 46.19 45.43 2nr2 s LEU 43 CO 0.29 0.08 -0.15 -0.63 0.02 0.00 0.00 176.35 175.95 2nr2 s ILE 44 N 0.30 1.50 -0.01 -0.59 1.01 -0.67 -0.83 121.20 121.90 2nr2 s ILE 44 Ca -0.06 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 59.99 2nr2 s ILE 44 Cb -0.11 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 2nr2 s ILE 44 CO 0.02 0.44 -0.16 0.12 0.00 0.00 0.00 174.94 175.36 2nr2 s PHE 45 N 1.03 1.40 -1.22 3.97 5.36 -0.21 0.55 117.98 128.86 2nr2 s PHE 45 Ca -0.06 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 2nr2 s PHE 45 Cb -0.15 -0.91 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 2nr2 s PHE 45 CO -0.02 -0.03 0.00 0.00 -1.46 0.00 0.00 175.22 173.71 2nr2 n ALA 46 N 2.72 -0.53 -0.75 11.12 0.00 -1.26 -0.83 120.51 130.98 2nr2 n ALA 46 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nr2 n ALA 46 Cb 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.58 0.60 3.10 0.00 0.00 -1.26 -5.05 105.19 102.00 2nr2 n GLY 47 Ca -0.14 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.64 2.25 -0.12 1.61 2.20 -0.01 -5.12 119.74 119.90 2nr2 s LYS 48 Ca 0.00 -0.60 -0.26 0.00 -0.36 0.00 0.00 55.97 54.75 2nr2 s LYS 48 Cb 0.00 -1.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.52 2nr2 s LYS 48 CO 0.00 0.08 0.87 -1.14 -0.36 0.00 0.00 175.35 174.79 2nr2 s GLN 49 N 0.56 4.37 0.72 4.03 0.74 -1.26 -1.04 119.66 127.78 2nr2 s GLN 49 Ca -0.16 1.12 -0.11 0.00 0.05 0.00 0.00 55.36 56.26 2nr2 s GLN 49 Cb -0.17 -3.54 0.02 0.00 1.10 0.00 0.00 33.01 30.43 2nr2 s GLN 49 CO 0.05 -0.24 1.10 -0.51 -0.55 0.00 0.00 175.29 175.14 2nr2 s LEU 50 N 1.82 2.86 0.21 3.68 1.43 -0.01 -5.00 118.68 123.67 2nr2 s LEU 50 Ca 0.42 1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 54.65 2nr2 s LEU 50 Cb -0.17 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 2nr2 s LEU 50 CO 0.16 -1.42 0.43 -1.61 0.23 0.00 0.00 176.35 174.13 2nr2 s GLU 51 N -5.33 3.58 -0.13 1.70 2.02 -1.26 -4.83 118.70 114.44 2nr2 s GLU 51 Ca 0.58 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 55.12 2nr2 s GLU 51 Cb -0.11 -2.79 -0.24 0.00 0.10 0.00 0.00 34.13 31.08 2nr2 s GLU 51 CO 0.52 0.37 0.73 -0.44 0.02 0.00 0.00 175.26 176.46 2nr2 h ASP 52 N 2.14 -0.00 -1.09 -0.19 3.32 -1.98 -3.35 116.42 115.27 2nr2 h ASP 52 Ca -0.47 -0.92 -0.74 0.00 0.02 0.00 0.00 57.03 54.92 2nr2 h ASP 52 Cb 1.18 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.62 2nr2 h ASP 52 CO 0.69 0.95 2.50 0.61 -1.72 0.00 0.00 179.24 182.27 2nr2 n GLY 53 N 1.59 5.15 3.45 2.75 0.00 -1.26 -3.39 105.19 113.48 2nr2 n GLY 53 Ca -0.09 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.93 1.61 0.32 1.61 1.81 -1.26 -5.05 118.95 117.06 2nr2 s ARG 54 Ca 0.55 -1.85 0.04 0.00 -1.72 0.00 0.00 55.73 52.74 2nr2 s ARG 54 Cb 0.18 -1.08 -0.02 0.00 -0.45 0.00 0.00 34.95 33.58 2nr2 s ARG 54 CO -0.09 -0.05 0.47 0.95 -0.68 0.00 0.00 175.30 175.90 2nr2 s THR 55 N -3.09 4.74 0.44 0.02 -4.23 -1.26 -2.51 115.64 109.74 2nr2 s THR 55 Ca 0.32 -0.81 0.20 0.00 -1.18 0.00 0.00 61.69 60.22 2nr2 s THR 55 Cb 0.06 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.44 2nr2 s THR 55 CO 0.13 -0.34 2.03 -0.07 -0.54 0.00 0.00 174.62 175.84 2nr2 h LEU 56 N 0.90 0.00 -0.43 4.79 3.38 -0.70 -2.37 115.31 120.88 2nr2 h LEU 56 Ca -0.49 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.49 2nr2 h LEU 56 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2nr2 h LEU 56 CO 0.58 0.16 0.28 -1.28 0.09 0.00 0.00 178.44 178.27 2nr2 h SER 57 N 0.00 0.49 -0.56 -0.43 0.87 -0.95 -1.90 113.55 111.06 2nr2 h SER 57 Ca -0.00 -0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.67 2nr2 h SER 57 Cb 0.32 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2nr2 h SER 57 CO 0.02 0.35 0.39 0.44 -0.53 0.00 0.00 176.83 177.50 2nr2 h ASP 58 N 0.58 0.19 0.02 6.23 3.32 -1.70 0.10 116.42 125.15 2nr2 h ASP 58 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2nr2 h ASP 58 Cb -0.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2nr2 h ASP 58 CO -0.04 0.11 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.36 2nr2 n TYR 59 N -4.44 0.00 -3.89 4.55 4.01 -1.00 -4.93 117.16 111.46 2nr2 n TYR 59 Ca 0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 2nr2 n TYR 59 Cb 0.49 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.43 -0.87 -4.67 7.72 5.03 0.02 -4.96 115.26 117.09 2nr2 n ASN 60 Ca 0.21 -0.98 -0.38 0.00 0.87 0.00 0.00 54.58 54.29 2nr2 n ASN 60 Cb 0.24 -3.23 -0.07 0.00 -1.02 0.00 0.00 39.78 35.70 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2nr2 s ILE 61 N -3.87 5.17 0.35 2.41 1.01 -0.75 -5.03 121.20 120.48 2nr2 s ILE 61 Ca 0.04 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.53 2nr2 s ILE 61 Cb -0.02 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.73 2nr2 s ILE 61 CO 0.87 0.23 0.35 0.00 0.00 0.00 0.00 174.94 176.39 2nr2 n GLN 62 N 4.56 0.89 -1.47 2.79 6.02 -1.26 -4.71 117.38 124.20 2nr2 n GLN 62 Ca -0.07 -2.03 -0.31 0.00 -0.01 0.00 0.00 57.00 54.57 2nr2 n GLN 62 Cb 0.51 0.07 0.07 0.00 1.02 0.00 0.00 30.24 31.91 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 -3.48 2.64 -1.23 -1.09 -2.85 -1.26 -4.31 119.74 108.15 2nr2 s LYS 63 Ca 0.27 1.10 -0.01 0.00 -1.00 0.00 0.00 55.97 56.32 2nr2 s LYS 63 Cb -0.02 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 2nr2 s LYS 63 CO 0.17 -1.34 1.01 0.39 0.10 0.00 0.00 175.35 175.67 2nr2 n GLU 64 N -3.19 -6.69 -4.70 1.78 1.02 0.17 -4.99 120.64 104.04 2nr2 n GLU 64 Ca 0.08 0.83 -0.33 0.00 -0.02 0.00 0.00 57.16 57.72 2nr2 n GLU 64 Cb 0.53 -5.82 -0.12 0.00 -0.02 0.00 0.00 31.44 26.01 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 -4.21 4.40 -0.41 1.62 0.01 -1.26 -4.91 113.70 108.94 2nr2 s SER 65 Ca 0.09 -0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 2nr2 s SER 65 Cb -0.04 -1.20 0.04 0.00 0.21 0.00 0.00 66.02 65.03 2nr2 s SER 65 CO 0.74 0.31 0.28 -0.89 0.41 0.00 0.00 173.24 174.08 2nr2 s THR 66 N -0.51 4.86 0.06 1.44 2.01 -1.26 -0.16 115.64 122.09 2nr2 s THR 66 Ca 0.07 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.19 2nr2 s THR 66 Cb -0.12 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2nr2 s THR 66 CO 0.02 -0.36 0.08 -0.76 -0.69 0.00 0.00 174.62 172.91 2nr2 s LEU 67 N 1.59 3.84 -0.17 4.42 1.43 -0.24 -4.69 118.68 124.87 2nr2 s LEU 67 Ca 0.03 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2nr2 s LEU 67 Cb -0.21 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2nr2 s LEU 67 CO 0.07 0.20 0.09 -1.00 0.23 0.00 0.00 176.35 175.94 2nr2 s HIS 68 N -1.34 3.34 -0.27 0.29 3.76 0.19 -0.82 115.29 120.44 2nr2 s HIS 68 Ca 0.28 0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 55.22 2nr2 s HIS 68 Cb -0.12 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 2nr2 s HIS 68 CO 0.20 0.31 0.55 -1.17 -0.85 0.00 0.00 174.74 173.78 2nr2 s LEU 69 N 0.04 4.08 -0.11 0.89 2.96 -0.43 -1.67 118.68 124.45 2nr2 s LEU 69 Ca 0.07 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2nr2 s LEU 69 Cb -0.12 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 2nr2 s LEU 69 CO 0.00 -0.34 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.00 2nr2 s VAL 70 N 2.39 4.25 0.00 1.68 1.01 -0.90 -4.55 120.40 124.28 2nr2 s VAL 70 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2nr2 s VAL 70 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2nr2 s VAL 70 CO 0.10 0.57 0.00 0.18 0.00 0.00 0.00 175.10 175.95 2nr2 n LEU 71 N 2.52 0.00 -0.02 3.92 4.77 -1.26 -1.34 117.00 125.59 2nr2 n LEU 71 Ca -0.18 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 2nr2 n LEU 71 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2nr2 n LEU 71 CO 0.30 -0.00 -0.11 0.54 -1.33 0.00 0.00 177.39 176.79 2nr2 n ARG 72 N -0.00 0.14 -4.34 3.23 5.12 -1.26 -4.89 116.66 114.66 2nr2 n ARG 72 Ca 0.00 0.31 -0.21 0.00 -1.93 0.00 0.00 57.85 56.02 2nr2 n ARG 72 Cb 0.00 -1.01 -0.11 0.00 -1.16 0.00 0.00 32.46 30.19 2nr2 n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2nr2 s LEU 73 N -5.63 2.47 0.61 0.55 1.43 -1.26 -5.13 118.68 111.72 2nr2 s LEU 73 Ca -0.05 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 2nr2 s LEU 73 Cb 0.01 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 2nr2 s LEU 73 CO 0.07 -0.06 1.03 -0.60 0.23 0.00 0.00 176.35 177.02 2nr2 s ARG 74 N -2.99 3.49 0.00 1.70 3.52 -1.26 -5.06 118.95 118.36 2nr2 s ARG 74 Ca 0.18 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 2nr2 s ARG 74 Cb -0.05 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 2nr2 s ARG 74 CO 0.07 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 2nr2 n GLY 75 N -2.05 4.22 0.70 8.12 0.00 -1.26 -5.21 105.19 109.71 2nr2 n GLY 75 Ca 0.07 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.68 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93