#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 4.43 0.08 3.17 0.74 -1.26 -1.30 119.66 125.52 2nr2 s GLN 2 Ca 0.00 0.89 0.05 0.00 0.05 0.00 0.00 55.36 56.35 2nr2 s GLN 2 Cb 0.00 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 2nr2 s GLN 2 CO 0.00 0.03 -0.14 0.96 -0.55 0.00 0.00 175.29 175.59 2nr2 s ILE 3 N 0.91 1.10 -0.02 -2.34 -4.36 -0.33 -3.98 121.20 112.18 2nr2 s ILE 3 Ca 0.38 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.44 2nr2 s ILE 3 Cb -0.18 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 2nr2 s ILE 3 CO 0.18 -0.27 -0.07 -0.36 0.24 0.00 0.00 174.94 174.66 2nr2 s PHE 4 N -1.41 2.90 -0.25 1.37 0.08 -0.32 -0.77 117.98 119.57 2nr2 s PHE 4 Ca -0.01 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.03 2nr2 s PHE 4 Cb -0.09 -1.64 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 2nr2 s PHE 4 CO 0.02 0.35 -0.05 0.08 -0.10 0.00 0.00 175.22 175.53 2nr2 s VAL 5 N -0.93 1.72 -0.16 -0.44 1.01 -0.28 -0.42 120.40 120.90 2nr2 s VAL 5 Ca 0.15 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 2nr2 s VAL 5 Cb -0.11 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2nr2 s VAL 5 CO 0.05 -0.16 0.20 -0.54 0.00 0.00 0.00 175.10 174.65 2nr2 s LYS 6 N 1.29 4.08 0.82 2.72 1.02 -0.01 -0.37 119.74 129.30 2nr2 s LYS 6 Ca -0.04 -0.06 -0.08 0.00 0.02 0.00 0.00 55.97 55.81 2nr2 s LYS 6 Cb -0.19 -3.38 0.15 0.00 -0.52 0.00 0.00 37.83 33.90 2nr2 s LYS 6 CO -0.07 0.37 1.14 0.95 -0.92 0.00 0.00 175.35 176.82 2nr2 s THR 7 N 0.11 2.08 -0.01 2.17 -4.23 0.13 -0.96 115.64 114.94 2nr2 s THR 7 Ca 0.13 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.20 2nr2 s THR 7 Cb -0.12 -2.76 -0.32 0.00 1.34 0.00 0.00 72.50 70.64 2nr2 s THR 7 CO 0.02 0.00 0.83 -0.07 -0.54 0.00 0.00 174.62 174.86 2nr2 h LEU 8 N -1.00 0.65 0.19 4.79 3.38 -1.88 -3.40 115.31 118.03 2nr2 h LEU 8 Ca -0.40 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 56.72 2nr2 h LEU 8 Cb 1.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2nr2 h LEU 8 CO 0.40 1.69 -0.09 0.71 0.09 0.00 0.00 178.44 181.24 2nr2 h THR 9 N 0.11 0.89 0.00 0.22 1.35 -1.95 -3.46 112.91 110.06 2nr2 h THR 9 Ca -0.29 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2nr2 h THR 9 Cb 2.11 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2nr2 h THR 9 CO 0.21 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2nr2 n GLY 10 N -0.69 -0.05 3.51 5.82 0.00 -1.26 -5.15 105.19 107.37 2nr2 n GLY 10 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 1.87 -0.24 1.61 2.47 -1.26 -5.00 119.74 119.19 2nr2 s LYS 11 Ca 0.00 -1.19 0.02 0.00 -1.56 0.00 0.00 55.97 53.24 2nr2 s LYS 11 Cb 0.00 -2.14 0.06 0.00 -1.46 0.00 0.00 37.83 34.29 2nr2 s LYS 11 CO 0.00 0.47 -0.10 0.99 0.16 0.00 0.00 175.35 176.88 2nr2 s THR 12 N -1.28 1.90 -0.23 3.43 2.01 -1.26 -0.69 115.64 119.52 2nr2 s THR 12 Ca 0.20 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.63 2nr2 s THR 12 Cb -0.10 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2nr2 s THR 12 CO 0.12 0.01 0.54 -0.63 -0.69 0.00 0.00 174.62 173.96 2nr2 s ILE 13 N 1.24 5.07 -0.37 1.82 1.01 0.51 -4.88 121.20 125.60 2nr2 s ILE 13 Ca -0.06 0.96 -0.23 0.00 0.00 0.00 0.00 60.65 61.32 2nr2 s ILE 13 Cb -0.19 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2nr2 s ILE 13 CO -0.06 0.11 0.78 -0.89 0.00 0.00 0.00 174.94 174.88 2nr2 s THR 14 N 2.06 4.73 0.18 2.92 2.01 -1.26 -1.13 115.64 125.14 2nr2 s THR 14 Ca 0.23 0.85 0.07 0.00 0.31 0.00 0.00 61.69 63.16 2nr2 s THR 14 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2nr2 s THR 14 CO 0.09 -0.45 0.00 -0.76 -0.69 0.00 0.00 174.62 172.82 2nr2 s LEU 15 N 3.10 3.32 -0.20 4.42 1.43 0.05 -4.97 118.68 125.82 2nr2 s LEU 15 Ca 0.31 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2nr2 s LEU 15 Cb -0.13 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2nr2 s LEU 15 CO 0.17 0.09 -0.02 -0.70 0.23 0.00 0.00 176.35 176.12 2nr2 s GLU 16 N -2.96 3.51 0.32 1.70 2.56 -1.26 -1.19 118.70 121.39 2nr2 s GLU 16 Ca 0.28 -0.57 0.03 0.00 0.00 0.00 0.00 54.97 54.71 2nr2 s GLU 16 Cb -0.09 -3.03 -0.06 0.00 2.00 0.00 0.00 34.13 32.95 2nr2 s GLU 16 CO 0.19 -0.06 0.07 0.14 -0.56 0.00 0.00 175.26 175.04 2nr2 s VAL 17 N 1.15 1.07 0.20 3.70 -7.23 -0.42 -4.92 120.40 113.95 2nr2 s VAL 17 Ca 0.02 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.30 2nr2 s VAL 17 Cb -0.15 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2nr2 s VAL 17 CO 0.00 0.00 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.97 2nr2 s GLU 18 N -3.90 1.63 0.38 4.82 0.41 -1.26 -0.79 118.70 119.99 2nr2 s GLU 18 Ca 0.36 -1.49 0.28 0.00 -0.41 0.00 0.00 54.97 53.70 2nr2 s GLU 18 Cb 0.08 -1.90 1.21 0.00 -1.78 0.00 0.00 34.13 31.74 2nr2 s GLU 18 CO 0.15 0.40 1.83 -1.00 -0.49 0.00 0.00 175.26 176.15 2nr2 h PRO 19 N 3.08 0.00 -0.49 0.39 0.13 -1.97 -1.97 132.00 131.18 2nr2 h PRO 19 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2nr2 h PRO 19 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2nr2 h PRO 19 CO 0.50 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.70 2nr2 n SER 20 N -2.54 2.52 -4.83 1.44 7.64 -1.26 -2.15 113.62 114.44 2nr2 n SER 20 Ca 0.01 -2.11 -0.36 0.00 1.01 0.00 0.00 58.87 57.43 2nr2 n SER 20 Cb 0.22 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.89 6.91 0.60 6.43 1.01 -0.74 -4.85 116.67 125.14 2nr2 s ASP 21 Ca 0.28 1.20 -0.17 0.00 0.71 0.00 0.00 52.55 54.58 2nr2 s ASP 21 Cb 0.16 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 2nr2 s ASP 21 CO 0.17 0.07 1.10 0.42 0.21 0.00 0.00 175.17 177.14 2nr2 s THR 22 N -1.49 3.41 0.28 -1.27 -4.23 -1.26 -2.12 115.64 108.95 2nr2 s THR 22 Ca 0.40 0.73 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 2nr2 s THR 22 Cb -0.15 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.71 2nr2 s THR 22 CO 0.20 -0.33 1.82 0.40 -0.54 0.00 0.00 174.62 176.16 2nr2 h ILE 23 N 0.56 0.88 -0.92 2.99 1.08 -1.39 -0.95 117.51 119.76 2nr2 h ILE 23 Ca -0.48 -0.31 0.25 0.00 -0.39 0.00 0.00 64.86 63.93 2nr2 h ILE 23 Cb 1.24 -0.11 -0.16 0.00 -3.07 0.00 0.00 36.82 34.72 2nr2 h ILE 23 CO 0.56 0.17 0.07 -0.08 -0.69 0.00 0.00 178.15 178.18 2nr2 h GLU 24 N 0.91 0.06 -0.28 2.37 4.81 -1.44 0.20 114.58 121.21 2nr2 h GLU 24 Ca 0.49 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.69 2nr2 h GLU 24 Cb 0.53 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2nr2 h GLU 24 CO -0.29 0.04 0.07 -0.97 -0.73 0.00 0.00 179.01 177.14 2nr2 h ASN 25 N 0.07 0.43 -0.59 1.04 -0.73 -1.46 0.29 115.58 114.63 2nr2 h ASN 25 Ca 0.56 -0.23 0.02 0.00 1.87 0.00 0.00 56.30 58.51 2nr2 h ASN 25 Cb 1.12 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.56 2nr2 h ASN 25 CO -0.82 0.55 0.37 0.58 -0.37 0.00 0.00 177.43 177.75 2nr2 h VAL 26 N 0.29 1.09 -0.71 2.57 2.07 -0.96 -1.75 116.25 118.86 2nr2 h VAL 26 Ca 0.09 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2nr2 h VAL 26 Cb 0.29 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2nr2 h VAL 26 CO 0.00 0.14 0.43 0.11 0.02 0.00 0.00 177.57 178.27 2nr2 h LYS 27 N 0.74 0.96 0.00 1.57 1.57 -0.71 -2.37 116.57 118.33 2nr2 h LYS 27 Ca 0.23 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2nr2 h LYS 27 Cb -0.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 2nr2 h LYS 27 CO -0.09 0.68 -0.04 0.00 -0.57 0.00 0.00 179.45 179.44 2nr2 h ALA 28 N 1.23 1.01 -0.10 3.86 0.00 -0.60 -1.75 119.26 122.91 2nr2 h ALA 28 Ca 0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2nr2 h ALA 28 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2nr2 h ALA 28 CO -0.05 0.04 -0.33 0.87 0.00 0.00 0.00 179.25 179.78 2nr2 h LYS 29 N 0.00 0.40 -0.83 0.00 1.57 -1.06 -1.91 116.57 114.74 2nr2 h LYS 29 Ca -0.00 -0.30 0.19 0.00 -1.87 0.00 0.00 60.65 58.67 2nr2 h LYS 29 Cb 0.54 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.79 2nr2 h LYS 29 CO 0.00 0.92 0.31 0.82 -0.57 0.00 0.00 179.45 180.94 2nr2 h ILE 30 N -0.05 0.50 -0.41 1.86 2.04 -1.23 -1.75 117.51 118.48 2nr2 h ILE 30 Ca -0.01 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2nr2 h ILE 30 Cb 0.96 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2nr2 h ILE 30 CO 0.07 0.07 0.01 -0.61 0.00 0.00 0.00 178.15 177.69 2nr2 h GLN 31 N 0.36 0.72 -0.34 2.37 4.15 -1.17 0.20 115.11 121.41 2nr2 h GLN 31 Ca 0.50 -0.23 0.07 0.00 0.77 0.00 0.00 58.65 59.76 2nr2 h GLN 31 Cb 0.89 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.45 2nr2 h GLN 31 CO -0.51 0.80 -0.05 0.22 -1.93 0.00 0.00 178.83 177.36 2nr2 h ASP 32 N 0.56 -0.24 0.00 -0.69 3.58 -1.09 -0.92 116.42 117.62 2nr2 h ASP 32 Ca 0.12 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2nr2 h ASP 32 Cb 0.47 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 2nr2 h ASP 32 CO 0.02 -0.08 -0.09 0.11 -2.88 0.00 0.00 179.24 176.32 2nr2 h LYS 33 N 0.04 0.00 0.00 0.28 1.57 -0.91 -3.41 116.57 114.14 2nr2 h LYS 33 Ca 0.16 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 2nr2 h LYS 33 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2nr2 h LYS 33 CO -0.32 0.52 -2.23 0.39 -0.57 0.00 0.00 179.45 177.24 2nr2 n GLU 34 N -4.67 0.68 -0.29 3.15 -0.58 0.68 -4.98 120.64 114.62 2nr2 n GLU 34 Ca -0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2nr2 n GLU 34 Cb 0.27 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.58 0.83 3.67 0.62 0.00 -0.35 -5.01 105.19 106.53 2nr2 n GLY 35 Ca -0.23 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 4.89 0.41 -0.61 1.01 -1.26 -4.97 121.20 118.67 2nr2 s ILE 36 Ca 0.00 1.59 -0.25 0.00 0.00 0.00 0.00 60.65 61.99 2nr2 s ILE 36 Cb 0.00 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2nr2 s ILE 36 CO 0.00 0.02 1.18 -2.84 0.00 0.00 0.00 174.94 173.31 2nr2 s PRO 37 N 2.20 3.98 0.65 2.79 0.02 -1.26 -4.14 135.00 139.24 2nr2 s PRO 37 Ca 0.37 1.86 0.43 0.00 0.02 0.00 0.00 61.00 63.68 2nr2 s PRO 37 Cb -0.16 -2.63 2.23 0.00 0.02 0.00 0.00 34.50 33.95 2nr2 s PRO 37 CO 0.12 -0.39 2.30 -1.35 -0.33 0.00 0.00 177.00 177.35 2nr2 h PRO 38 N 2.52 0.00 0.00 5.54 0.11 -1.95 -0.18 132.00 138.03 2nr2 h PRO 38 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2nr2 h PRO 38 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2nr2 h PRO 38 CO 0.62 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.69 2nr2 h ASP 39 N 0.00 0.00 1.11 -2.05 3.32 -1.98 -3.15 116.42 113.68 2nr2 h ASP 39 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2nr2 h ASP 39 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2nr2 h ASP 39 CO 0.00 0.28 -0.94 -0.61 -1.72 0.00 0.00 179.24 176.24 2nr2 h GLN 40 N 0.00 0.00 -6.41 3.56 4.15 -1.37 -3.47 115.11 111.57 2nr2 h GLN 40 Ca -0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 2nr2 h GLN 40 Cb 0.55 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2nr2 h GLN 40 CO 0.04 0.33 0.39 -0.65 -1.93 0.00 0.00 178.83 177.01 2nr2 s GLN 41 N -3.00 4.54 -0.13 1.69 -0.21 -1.19 -1.60 119.66 119.77 2nr2 s GLN 41 Ca 0.01 1.45 0.01 0.00 0.02 0.00 0.00 55.36 56.84 2nr2 s GLN 41 Cb 0.08 -3.45 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 2nr2 s GLN 41 CO 0.78 -0.08 -0.15 1.03 -2.12 0.00 0.00 175.29 174.75 2nr2 s ARG 42 N 1.06 3.33 -0.15 2.91 0.52 0.35 -4.91 118.95 122.05 2nr2 s ARG 42 Ca 0.52 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 55.01 2nr2 s ARG 42 Cb -0.22 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 2nr2 s ARG 42 CO 0.28 0.20 -0.12 -0.51 0.02 0.00 0.00 175.30 175.17 2nr2 s LEU 43 N 0.36 2.71 -0.16 2.53 1.43 -1.26 0.03 118.68 124.32 2nr2 s LEU 43 Ca -0.12 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2nr2 s LEU 43 Cb -0.16 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2nr2 s LEU 43 CO 0.06 0.11 -0.17 -0.63 0.23 0.00 0.00 176.35 175.95 2nr2 s ILE 44 N 0.68 2.43 -0.01 -0.59 1.01 0.39 -1.78 121.20 123.34 2nr2 s ILE 44 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2nr2 s ILE 44 Cb -0.15 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 2nr2 s ILE 44 CO 0.02 0.52 -0.05 0.12 0.00 0.00 0.00 174.94 175.55 2nr2 s PHE 45 N 0.92 0.51 -1.87 3.97 2.19 -0.99 -0.78 117.98 121.92 2nr2 s PHE 45 Ca -0.04 -0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.13 2nr2 s PHE 45 Cb -0.15 -0.34 0.00 0.00 -1.31 0.00 0.00 43.02 41.22 2nr2 s PHE 45 CO -0.03 -0.02 0.00 0.00 1.83 0.00 0.00 175.22 177.00 2nr2 n ALA 46 N 3.02 -0.48 -0.94 11.12 0.00 -1.26 -1.46 120.51 130.51 2nr2 n ALA 46 Ca -0.14 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2nr2 n ALA 46 Cb 0.58 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.69 0.84 3.62 0.00 0.00 -1.26 -5.05 105.19 102.65 2nr2 n GLY 47 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.06 2.22 -0.08 1.61 1.02 -0.53 -5.14 119.74 118.79 2nr2 s LYS 48 Ca 0.00 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 54.57 2nr2 s LYS 48 Cb 0.00 -2.19 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 2nr2 s LYS 48 CO 0.00 0.40 0.24 -0.65 -0.92 0.00 0.00 175.35 174.42 2nr2 s GLN 49 N -3.26 3.64 -0.26 1.68 -0.21 -1.26 -2.36 119.66 117.62 2nr2 s GLN 49 Ca 0.28 0.07 -0.10 0.00 0.02 0.00 0.00 55.36 55.64 2nr2 s GLN 49 Cb -0.08 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 2nr2 s GLN 49 CO 0.18 0.73 0.14 -0.51 -2.12 0.00 0.00 175.29 173.71 2nr2 s LEU 50 N -1.00 3.82 0.52 2.90 1.43 -0.73 -4.98 118.68 120.64 2nr2 s LEU 50 Ca 0.18 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2nr2 s LEU 50 Cb -0.14 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 2nr2 s LEU 50 CO 0.07 -0.03 1.20 -1.61 0.23 0.00 0.00 176.35 176.21 2nr2 s GLU 51 N 1.62 3.39 0.07 1.70 2.02 -1.26 -4.69 118.70 121.55 2nr2 s GLU 51 Ca 0.07 1.82 -0.20 0.00 0.02 0.00 0.00 54.97 56.68 2nr2 s GLU 51 Cb -0.15 -2.18 -0.10 0.00 0.10 0.00 0.00 34.13 31.79 2nr2 s GLU 51 CO 0.08 -0.87 1.52 -0.44 0.02 0.00 0.00 175.26 175.57 2nr2 h ASP 52 N 1.50 0.31 -0.10 -0.19 3.32 -1.97 -3.09 116.42 116.20 2nr2 h ASP 52 Ca -0.50 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.27 2nr2 h ASP 52 Cb 1.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2nr2 h ASP 52 CO 0.58 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 179.22 2nr2 n GLY 53 N -0.38 1.32 3.88 2.75 0.00 -1.26 -1.23 105.19 110.28 2nr2 n GLY 53 Ca -0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.41 3.18 0.64 1.61 1.81 -1.17 -4.98 118.95 118.63 2nr2 s ARG 54 Ca 0.09 -0.79 -0.03 0.00 -1.72 0.00 0.00 55.73 53.27 2nr2 s ARG 54 Cb 0.07 -2.78 0.05 0.00 -0.45 0.00 0.00 34.95 31.83 2nr2 s ARG 54 CO 0.03 0.47 0.91 0.95 -0.68 0.00 0.00 175.30 176.99 2nr2 s THR 55 N -1.86 2.52 0.23 0.02 -4.23 -1.26 -1.89 115.64 109.17 2nr2 s THR 55 Ca 0.33 -0.41 0.26 0.00 -1.18 0.00 0.00 61.69 60.69 2nr2 s THR 55 Cb -0.10 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.97 2nr2 s THR 55 CO 0.26 -0.03 1.92 -0.07 -0.54 0.00 0.00 174.62 176.16 2nr2 h LEU 56 N -0.31 0.00 -0.93 4.79 3.38 -1.48 -3.20 115.31 117.56 2nr2 h LEU 56 Ca -0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 2nr2 h LEU 56 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2nr2 h LEU 56 CO 0.57 0.18 -0.07 -1.28 0.09 0.00 0.00 178.44 177.94 2nr2 h SER 57 N 0.00 0.69 -0.53 -0.43 0.87 -1.72 -0.61 113.55 111.82 2nr2 h SER 57 Ca -0.00 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.30 2nr2 h SER 57 Cb 0.60 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2nr2 h SER 57 CO 0.02 0.80 0.03 0.44 -0.53 0.00 0.00 176.83 177.60 2nr2 h ASP 58 N 0.65 0.93 1.39 6.23 3.32 -1.87 -2.94 116.42 124.13 2nr2 h ASP 58 Ca 0.12 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2nr2 h ASP 58 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2nr2 h ASP 58 CO 0.03 0.96 -0.50 1.88 -1.72 0.00 0.00 179.24 179.89 2nr2 h TYR 59 N 0.89 0.00 -4.06 4.55 0.05 -1.59 -3.48 116.97 113.33 2nr2 h TYR 59 Ca 0.17 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.83 2nr2 h TYR 59 Cb 0.47 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.30 2nr2 h TYR 59 CO 0.03 0.50 -0.39 0.09 -1.05 0.00 0.00 178.16 177.34 2nr2 n ASN 60 N -3.27 -3.82 -4.44 3.88 3.02 -0.39 -5.04 115.26 105.21 2nr2 n ASN 60 Ca 0.02 -0.32 -0.38 0.00 -0.03 0.00 0.00 54.58 53.87 2nr2 n ASN 60 Cb 0.71 -2.66 -0.12 0.00 -0.61 0.00 0.00 39.78 37.09 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 -3.18 4.45 0.47 2.41 1.01 -0.38 -5.03 121.20 120.96 2nr2 s ILE 61 Ca 0.18 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2nr2 s ILE 61 Cb -0.02 -3.21 0.10 0.00 0.01 0.00 0.00 42.46 39.34 2nr2 s ILE 61 CO 0.34 0.16 0.64 0.00 0.00 0.00 0.00 174.94 176.08 2nr2 n GLN 62 N 4.95 -0.33 0.00 2.79 1.13 -1.26 -4.72 117.38 119.94 2nr2 n GLN 62 Ca -0.15 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.69 2nr2 n GLN 62 Cb 0.50 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 30.27 2nr2 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2nr2 n LYS 63 N -2.29 0.00 -3.04 -1.09 4.81 -1.26 -3.54 118.16 111.75 2nr2 n LYS 63 Ca 0.09 0.01 -0.40 0.00 -0.87 0.00 0.00 58.31 57.13 2nr2 n LYS 63 Cb 0.31 -0.03 -0.00 0.00 0.02 0.00 0.00 35.03 35.33 2nr2 n LYS 63 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2nr2 n GLU 64 N -0.11 4.25 -3.39 1.64 2.13 -1.26 -4.11 120.64 119.80 2nr2 n GLU 64 Ca 0.00 -4.59 -0.30 0.00 0.66 0.00 0.00 57.16 52.93 2nr2 n GLU 64 Cb 0.00 -2.47 -0.04 0.00 0.27 0.00 0.00 31.44 29.20 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2nr2 s SER 65 N -1.91 6.52 -0.25 4.31 0.01 -1.23 -4.93 113.70 116.21 2nr2 s SER 65 Ca 0.33 0.79 -0.03 0.00 1.31 0.00 0.00 55.95 58.36 2nr2 s SER 65 Cb 0.08 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 64.15 2nr2 s SER 65 CO 0.08 -0.13 -0.03 -0.89 0.41 0.00 0.00 173.24 172.67 2nr2 s THR 66 N -1.95 3.14 0.24 1.44 2.01 -1.26 -1.17 115.64 118.09 2nr2 s THR 66 Ca 0.45 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2nr2 s THR 66 Cb -0.11 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2nr2 s THR 66 CO 0.26 0.20 0.42 -0.76 -0.69 0.00 0.00 174.62 174.05 2nr2 s LEU 67 N 1.38 4.20 -0.15 4.42 1.43 0.44 -4.94 118.68 125.46 2nr2 s LEU 67 Ca 0.01 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2nr2 s LEU 67 Cb -0.16 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 2nr2 s LEU 67 CO -0.03 -0.10 -0.07 -1.00 0.23 0.00 0.00 176.35 175.38 2nr2 s HIS 68 N -1.98 2.95 -0.34 0.29 3.76 0.04 -0.83 115.29 119.17 2nr2 s HIS 68 Ca 0.38 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 54.74 2nr2 s HIS 68 Cb -0.10 -1.92 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 2nr2 s HIS 68 CO 0.30 -0.11 0.21 -1.17 -0.85 0.00 0.00 174.74 173.12 2nr2 s LEU 69 N 0.39 4.46 0.10 0.89 2.96 -0.13 -0.46 118.68 126.89 2nr2 s LEU 69 Ca -0.06 -0.62 0.08 0.00 -0.22 0.00 0.00 54.13 53.31 2nr2 s LEU 69 Cb -0.15 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2nr2 s LEU 69 CO 0.04 -0.27 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.93 2nr2 s VAL 70 N 1.64 2.88 0.11 1.68 1.01 0.10 -3.78 120.40 124.05 2nr2 s VAL 70 Ca 0.05 -1.41 0.07 0.00 0.00 0.00 0.00 61.98 60.69 2nr2 s VAL 70 Cb -0.18 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2nr2 s VAL 70 CO 0.08 0.16 -0.09 -0.76 0.00 0.00 0.00 175.10 174.49 2nr2 s LEU 71 N -1.97 3.08 0.69 3.92 1.43 -1.26 0.13 118.68 124.69 2nr2 s LEU 71 Ca 0.17 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2nr2 s LEU 71 Cb -0.11 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2nr2 s LEU 71 CO 0.09 0.17 1.07 0.00 0.23 0.00 0.00 176.35 177.91 2nr2 s ARG 72 N -2.31 3.01 -0.60 1.70 1.70 -0.63 -4.89 118.95 116.93 2nr2 s ARG 72 Ca 0.22 0.64 -0.28 0.00 -0.47 0.00 0.00 55.73 55.84 2nr2 s ARG 72 Cb -0.11 -2.02 0.02 0.00 -0.57 0.00 0.00 34.95 32.27 2nr2 s ARG 72 CO 0.14 -0.97 1.31 -0.51 -1.08 0.00 0.00 175.30 174.19 2nr2 s LEU 73 N -5.38 3.38 -0.15 -1.89 1.43 -1.26 -4.80 118.68 110.01 2nr2 s LEU 73 Ca 0.57 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 2nr2 s LEU 73 Cb -0.12 -3.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.99 2nr2 s LEU 73 CO 0.53 -1.65 0.15 -0.09 0.23 0.00 0.00 176.35 175.52 2nr2 h ARG 74 N 10.33 0.00 0.00 1.70 9.65 -1.95 -3.50 114.38 130.61 2nr2 h ARG 74 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2nr2 h ARG 74 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 2nr2 h ARG 74 CO 1.20 0.46 0.00 0.41 2.80 0.00 0.00 179.97 184.85 2nr2 n GLY 75 N 1.60 1.82 0.00 2.80 0.00 -1.26 -5.28 105.19 104.87 2nr2 n GLY 75 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93