#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 4.11 0.06 3.17 0.74 -1.26 -1.75 119.66 124.72 2nr2 s GLN 2 Ca 0.00 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.16 2nr2 s GLN 2 Cb 0.00 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 2nr2 s GLN 2 CO 0.00 0.23 -0.06 0.96 -0.55 0.00 0.00 175.29 175.87 2nr2 s ILE 3 N 0.54 0.50 -0.10 -2.34 -4.36 -0.86 -0.38 121.20 114.20 2nr2 s ILE 3 Ca 0.07 -1.53 -0.04 0.00 -0.26 0.00 0.00 60.65 58.88 2nr2 s ILE 3 Cb -0.12 -1.16 -0.04 0.00 1.25 0.00 0.00 42.46 42.39 2nr2 s ILE 3 CO 0.00 -0.70 0.08 -0.36 0.24 0.00 0.00 174.94 174.20 2nr2 s PHE 4 N -2.73 3.40 -0.26 1.37 0.08 0.16 -0.82 117.98 119.18 2nr2 s PHE 4 Ca 0.01 0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.46 2nr2 s PHE 4 Cb -0.01 -1.86 0.06 0.00 -0.57 0.00 0.00 43.02 40.64 2nr2 s PHE 4 CO -0.04 0.62 -0.10 0.08 -0.10 0.00 0.00 175.22 175.68 2nr2 s VAL 5 N -0.99 2.09 -0.17 -0.44 1.01 0.26 -0.26 120.40 121.90 2nr2 s VAL 5 Ca 0.15 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.39 2nr2 s VAL 5 Cb -0.12 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2nr2 s VAL 5 CO 0.04 -0.05 0.30 -0.75 0.00 0.00 0.00 175.10 174.65 2nr2 s LYS 6 N 1.13 4.23 0.81 2.72 2.20 0.14 -0.35 119.74 130.62 2nr2 s LYS 6 Ca -0.08 0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.54 2nr2 s LYS 6 Cb -0.20 -3.46 0.14 0.00 -1.51 0.00 0.00 37.83 32.81 2nr2 s LYS 6 CO -0.05 0.17 1.12 0.95 -0.36 0.00 0.00 175.35 177.18 2nr2 s THR 7 N 0.68 2.11 -0.03 3.43 -4.23 -0.29 -1.69 115.64 115.63 2nr2 s THR 7 Ca 0.16 -0.31 0.24 0.00 -1.18 0.00 0.00 61.69 60.60 2nr2 s THR 7 Cb -0.13 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.14 2nr2 s THR 7 CO 0.05 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 175.79 2nr2 h LEU 8 N -0.96 0.00 -1.52 4.79 3.38 -1.91 -3.16 115.31 115.93 2nr2 h LEU 8 Ca -0.41 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2nr2 h LEU 8 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2nr2 h LEU 8 CO 0.43 0.21 -0.22 0.71 0.09 0.00 0.00 178.44 179.66 2nr2 h THR 9 N 0.00 0.75 0.00 0.22 1.35 -1.94 -3.46 112.91 109.83 2nr2 h THR 9 Ca -0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2nr2 h THR 9 Cb 0.88 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2nr2 h THR 9 CO 0.03 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 2nr2 n GLY 10 N -0.40 1.89 3.56 5.82 0.00 -1.19 -5.11 105.19 109.75 2nr2 n GLY 10 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.68 2.63 -0.32 1.61 2.20 -1.26 -4.91 119.74 119.01 2nr2 s LYS 11 Ca 0.00 -0.63 -0.15 0.00 -0.36 0.00 0.00 55.97 54.82 2nr2 s LYS 11 Cb 0.00 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 2nr2 s LYS 11 CO 0.00 0.64 0.38 0.99 -0.36 0.00 0.00 175.35 177.00 2nr2 s THR 12 N -0.84 5.15 -0.22 3.43 2.01 -1.26 -1.13 115.64 122.78 2nr2 s THR 12 Ca 0.13 0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 2nr2 s THR 12 Cb -0.11 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2nr2 s THR 12 CO 0.03 -0.03 0.29 -0.63 -0.69 0.00 0.00 174.62 173.59 2nr2 s ILE 13 N 2.08 5.27 -0.29 1.82 1.01 0.53 -4.89 121.20 126.72 2nr2 s ILE 13 Ca 0.13 0.47 -0.14 0.00 0.00 0.00 0.00 60.65 61.12 2nr2 s ILE 13 Cb -0.16 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2nr2 s ILE 13 CO 0.11 0.30 0.30 -0.89 0.00 0.00 0.00 174.94 174.77 2nr2 s THR 14 N 1.17 5.22 0.00 2.92 2.01 -1.26 -0.57 115.64 125.13 2nr2 s THR 14 Ca 0.14 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2nr2 s THR 14 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2nr2 s THR 14 CO 0.06 0.12 0.06 -0.76 -0.69 0.00 0.00 174.62 173.40 2nr2 s LEU 15 N 1.94 3.78 -0.21 4.42 1.43 -0.00 -4.98 118.68 125.05 2nr2 s LEU 15 Ca 0.11 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 2nr2 s LEU 15 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2nr2 s LEU 15 CO 0.11 0.27 0.08 -0.70 0.23 0.00 0.00 176.35 176.34 2nr2 s GLU 16 N -1.74 3.89 0.10 1.70 2.56 -1.26 -2.03 118.70 121.92 2nr2 s GLU 16 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 54.97 54.76 2nr2 s GLU 16 Cb -0.12 -3.30 -0.02 0.00 2.00 0.00 0.00 34.13 32.69 2nr2 s GLU 16 CO 0.13 0.09 0.13 0.14 -0.56 0.00 0.00 175.26 175.20 2nr2 s VAL 17 N 0.87 0.14 0.16 3.70 -7.23 -0.72 -4.93 120.40 112.40 2nr2 s VAL 17 Ca 0.04 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2nr2 s VAL 17 Cb -0.14 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2nr2 s VAL 17 CO 0.03 -0.65 0.31 -1.61 -0.31 0.00 0.00 175.10 172.87 2nr2 s GLU 18 N -3.92 3.46 0.00 4.82 0.41 -1.26 0.75 118.70 122.96 2nr2 s GLU 18 Ca 0.10 -0.55 0.19 0.00 -0.41 0.00 0.00 54.97 54.30 2nr2 s GLU 18 Cb 0.06 -2.94 0.81 0.00 -1.78 0.00 0.00 34.13 30.28 2nr2 s GLU 18 CO -0.07 0.49 1.60 -0.35 -0.49 0.00 0.00 175.26 176.44 2nr2 n PRO 19 N -0.60 0.02 -0.01 0.39 -0.04 -1.26 -2.32 135.00 131.18 2nr2 n PRO 19 Ca -0.07 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 2nr2 n PRO 19 Cb 0.54 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.08 2nr2 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2nr2 n SER 20 N -1.48 1.22 -4.86 3.54 7.64 -1.26 -1.29 113.62 117.12 2nr2 n SER 20 Ca 0.05 -1.44 -0.36 0.00 1.01 0.00 0.00 58.87 58.13 2nr2 n SER 20 Cb 0.21 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.93 6.68 0.69 6.43 1.01 -0.98 -4.95 116.67 123.62 2nr2 s ASP 21 Ca 0.39 0.83 -0.11 0.00 0.71 0.00 0.00 52.55 54.37 2nr2 s ASP 21 Cb 0.20 -2.19 0.01 0.00 1.01 0.00 0.00 42.92 41.95 2nr2 s ASP 21 CO 0.33 0.22 1.07 0.42 0.21 0.00 0.00 175.17 177.42 2nr2 s THR 22 N -1.30 3.64 0.42 -1.27 -4.23 -1.26 -2.92 115.64 108.72 2nr2 s THR 22 Ca 0.30 0.48 0.09 0.00 -1.18 0.00 0.00 61.69 61.38 2nr2 s THR 22 Cb -0.15 -3.52 0.28 0.00 1.34 0.00 0.00 72.50 70.45 2nr2 s THR 22 CO 0.16 -0.67 2.05 0.40 -0.54 0.00 0.00 174.62 176.02 2nr2 h ILE 23 N -0.57 1.06 -0.12 2.99 1.08 -1.41 -1.45 117.51 119.09 2nr2 h ILE 23 Ca -0.45 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 2nr2 h ILE 23 Cb 1.25 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 2nr2 h ILE 23 CO 0.63 0.09 0.08 -0.33 -0.69 0.00 0.00 178.15 177.93 2nr2 h GLU 24 N 0.50 0.13 -0.06 2.37 5.08 -1.86 -0.55 114.58 120.19 2nr2 h GLU 24 Ca 0.17 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 2nr2 h GLU 24 Cb 0.07 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2nr2 h GLU 24 CO -0.04 0.09 -0.92 -0.91 -1.00 0.00 0.00 179.01 176.22 2nr2 h ASN 25 N 0.13 0.85 0.69 1.42 2.35 -1.63 -2.44 115.58 116.96 2nr2 h ASN 25 Ca 0.05 -0.63 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 2nr2 h ASN 25 Cb 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2nr2 h ASN 25 CO -0.01 1.43 -0.48 0.58 -1.65 0.00 0.00 177.43 177.30 2nr2 h VAL 26 N 0.42 0.00 -0.90 2.81 2.07 -1.11 -2.32 116.25 117.23 2nr2 h VAL 26 Ca -0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.56 2nr2 h VAL 26 Cb 1.56 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2nr2 h VAL 26 CO 0.18 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.39 2nr2 h LYS 27 N -1.12 0.75 -0.87 1.57 1.57 -1.17 -1.22 116.57 116.09 2nr2 h LYS 27 Ca -0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2nr2 h LYS 27 Cb 0.91 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 2nr2 h LYS 27 CO 0.06 0.50 0.51 0.00 -0.57 0.00 0.00 179.45 179.94 2nr2 h ALA 28 N 1.53 1.11 -0.17 3.86 0.00 -1.49 0.14 119.26 124.24 2nr2 h ALA 28 Ca 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2nr2 h ALA 28 Cb 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2nr2 h ALA 28 CO -0.31 0.59 -0.10 0.87 0.00 0.00 0.00 179.25 180.30 2nr2 h LYS 29 N 1.20 0.27 -0.42 0.00 1.57 -0.73 -0.22 116.57 118.24 2nr2 h LYS 29 Ca 0.31 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 2nr2 h LYS 29 Cb -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2nr2 h LYS 29 CO -0.06 0.38 -0.27 0.82 -0.57 0.00 0.00 179.45 179.75 2nr2 h ILE 30 N 0.26 1.27 -0.56 1.86 2.04 -0.78 -2.53 117.51 119.06 2nr2 h ILE 30 Ca 0.05 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 2nr2 h ILE 30 Cb 0.34 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2nr2 h ILE 30 CO 0.02 0.48 0.32 -0.61 0.00 0.00 0.00 178.15 178.36 2nr2 h GLN 31 N 0.77 0.78 -0.37 2.37 4.15 -0.05 0.23 115.11 122.98 2nr2 h GLN 31 Ca 0.09 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2nr2 h GLN 31 Cb 0.83 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 2nr2 h GLN 31 CO 0.07 0.58 0.23 0.22 -1.93 0.00 0.00 178.83 178.01 2nr2 h ASP 32 N 0.76 0.44 0.29 -0.69 3.58 -1.07 -2.11 116.42 117.61 2nr2 h ASP 32 Ca 0.20 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2nr2 h ASP 32 Cb 0.02 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2nr2 h ASP 32 CO -0.03 0.35 -0.14 0.50 -2.88 0.00 0.00 179.24 177.03 2nr2 h LYS 33 N 0.49 -0.37 0.00 0.28 3.11 -1.33 -3.41 116.57 115.34 2nr2 h LYS 33 Ca 0.13 0.03 -0.29 0.00 -2.81 0.00 0.00 60.65 57.71 2nr2 h LYS 33 Cb -0.02 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.24 2nr2 h LYS 33 CO -0.03 -0.03 -2.09 0.39 -2.81 0.00 0.00 179.45 174.88 2nr2 n GLU 34 N -5.09 0.96 -0.71 1.90 -0.58 0.06 -5.04 120.64 112.14 2nr2 n GLU 34 Ca -0.09 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2nr2 n GLU 34 Cb 0.26 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 2.31 1.16 3.48 0.62 0.00 -0.79 -5.03 105.19 106.94 2nr2 n GLY 35 Ca -0.30 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.20 4.65 0.92 -0.61 1.01 -1.26 -5.00 121.20 118.72 2nr2 s ILE 36 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2nr2 s ILE 36 Cb 0.00 -3.23 0.15 0.00 0.01 0.00 0.00 42.46 39.38 2nr2 s ILE 36 CO 0.00 0.25 1.12 -2.84 0.00 0.00 0.00 174.94 173.47 2nr2 s PRO 37 N 1.66 0.97 0.35 2.79 0.02 -1.26 -3.79 135.00 135.73 2nr2 s PRO 37 Ca 0.06 1.33 0.18 0.00 0.02 0.00 0.00 61.00 62.60 2nr2 s PRO 37 Cb -0.16 -1.74 0.46 0.00 0.02 0.00 0.00 34.50 33.09 2nr2 s PRO 37 CO 0.06 -2.59 1.63 -1.00 -0.33 0.00 0.00 177.00 174.77 2nr2 h PRO 38 N -1.83 0.00 -0.08 5.54 0.13 -1.96 -3.15 132.00 130.65 2nr2 h PRO 38 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2nr2 h PRO 38 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2nr2 h PRO 38 CO 0.45 0.40 0.05 -0.44 -0.23 0.00 0.00 178.00 178.23 2nr2 h ASP 39 N 0.00 0.10 -0.06 1.44 3.32 -1.99 -2.83 116.42 116.40 2nr2 h ASP 39 Ca -0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2nr2 h ASP 39 Cb 1.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2nr2 h ASP 39 CO 0.05 0.12 -0.02 1.56 -1.72 0.00 0.00 179.24 179.24 2nr2 h GLN 40 N 0.07 0.22 -6.49 3.56 4.20 -1.79 -3.44 115.11 111.44 2nr2 h GLN 40 Ca 0.03 -0.03 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 2nr2 h GLN 40 Cb 0.04 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2nr2 h GLN 40 CO -0.01 0.26 0.50 -0.65 -0.67 0.00 0.00 178.83 178.27 2nr2 s GLN 41 N -4.97 4.48 -0.28 1.46 -0.21 -1.07 -1.15 119.66 117.92 2nr2 s GLN 41 Ca -0.06 1.68 0.03 0.00 0.02 0.00 0.00 55.36 57.03 2nr2 s GLN 41 Cb 0.16 -3.36 0.07 0.00 1.00 0.00 0.00 33.01 30.88 2nr2 s GLN 41 CO 0.71 -0.16 -0.05 0.50 -2.12 0.00 0.00 175.29 174.17 2nr2 s ARG 42 N 0.85 1.93 -0.12 2.91 3.52 -0.42 -4.87 118.95 122.75 2nr2 s ARG 42 Ca 0.56 -1.49 -0.19 0.00 -0.13 0.00 0.00 55.73 54.48 2nr2 s ARG 42 Cb -0.27 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2nr2 s ARG 42 CO 0.30 -0.70 0.50 -0.51 -0.81 0.00 0.00 175.30 174.08 2nr2 s LEU 43 N 1.06 4.27 0.07 -0.88 1.43 -1.26 -1.09 118.68 122.28 2nr2 s LEU 43 Ca -0.02 0.83 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 2nr2 s LEU 43 Cb -0.20 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2nr2 s LEU 43 CO -0.06 -0.02 -0.24 -0.63 0.23 0.00 0.00 176.35 175.62 2nr2 s ILE 44 N 0.70 1.99 -0.10 -0.59 1.01 0.12 -0.69 121.20 123.64 2nr2 s ILE 44 Ca 0.27 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 2nr2 s ILE 44 Cb -0.15 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.62 2nr2 s ILE 44 CO 0.11 0.22 0.01 0.12 0.00 0.00 0.00 174.94 175.40 2nr2 s PHE 45 N -0.89 0.70 0.00 3.97 5.36 -0.01 -0.66 117.98 126.44 2nr2 s PHE 45 Ca 0.10 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 2nr2 s PHE 45 Cb -0.10 -0.83 0.00 0.00 -0.34 0.00 0.00 43.02 41.75 2nr2 s PHE 45 CO 0.03 -0.39 0.00 0.00 -1.46 0.00 0.00 175.22 173.40 2nr2 n ALA 46 N 5.14 0.00 -1.86 11.12 0.00 -1.26 -1.40 120.51 132.24 2nr2 n ALA 46 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2nr2 n ALA 46 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.41 3.17 0.00 0.00 -1.26 -5.10 105.19 102.40 2nr2 n GLY 47 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.80 0.01 1.61 1.02 -0.49 -5.09 119.74 119.60 2nr2 s LYS 48 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 2nr2 s LYS 48 Cb 0.00 -2.19 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 2nr2 s LYS 48 CO 0.00 0.09 1.33 -1.14 -0.92 0.00 0.00 175.35 174.70 2nr2 s GLN 49 N 0.57 4.33 0.28 1.68 0.74 -1.26 -0.83 119.66 125.17 2nr2 s GLN 49 Ca -0.14 1.89 -0.22 0.00 0.05 0.00 0.00 55.36 56.94 2nr2 s GLN 49 Cb -0.17 -3.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.36 2nr2 s GLN 49 CO 0.04 -0.48 0.82 -0.51 -0.55 0.00 0.00 175.29 174.62 2nr2 s LEU 50 N 1.96 4.28 0.18 3.68 1.43 0.13 -4.98 118.68 125.38 2nr2 s LEU 50 Ca 0.61 1.57 0.06 0.00 -1.03 0.00 0.00 54.13 55.35 2nr2 s LEU 50 Cb -0.30 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 2nr2 s LEU 50 CO 0.26 -0.06 0.12 -1.61 0.23 0.00 0.00 176.35 175.29 2nr2 s GLU 51 N -2.20 2.79 0.10 1.70 2.02 -1.26 -4.74 118.70 117.11 2nr2 s GLU 51 Ca 0.48 -0.96 -0.34 0.00 0.02 0.00 0.00 54.97 54.17 2nr2 s GLU 51 Cb -0.16 -2.56 -0.15 0.00 0.10 0.00 0.00 34.13 31.35 2nr2 s GLU 51 CO 0.21 0.46 1.54 -0.44 0.02 0.00 0.00 175.26 177.05 2nr2 h ASP 52 N 2.31 -1.50 -0.15 -0.19 3.32 -1.97 -2.54 116.42 115.71 2nr2 h ASP 52 Ca -0.48 0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 2nr2 h ASP 52 Cb 1.21 0.53 -0.04 0.00 0.22 0.00 0.00 39.33 41.25 2nr2 h ASP 52 CO 0.62 -0.59 0.12 0.61 -1.72 0.00 0.00 179.24 178.28 2nr2 n GLY 53 N -1.50 2.85 3.41 2.75 0.00 -1.26 -3.30 105.19 108.14 2nr2 n GLY 53 Ca -0.10 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.54 1.49 0.62 1.61 1.81 -0.96 -5.02 118.95 117.96 2nr2 s ARG 54 Ca 0.09 -1.49 -0.04 0.00 -1.72 0.00 0.00 55.73 52.57 2nr2 s ARG 54 Cb 0.07 -1.83 0.04 0.00 -0.45 0.00 0.00 34.95 32.78 2nr2 s ARG 54 CO 0.00 0.40 0.90 0.95 -0.68 0.00 0.00 175.30 176.88 2nr2 s THR 55 N -1.58 2.81 0.16 0.02 -4.23 -1.26 -2.09 115.64 109.46 2nr2 s THR 55 Ca 0.19 -0.33 0.14 0.00 -1.18 0.00 0.00 61.69 60.52 2nr2 s THR 55 Cb -0.08 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.65 2nr2 s THR 55 CO 0.09 -0.13 1.60 -0.07 -0.54 0.00 0.00 174.62 175.57 2nr2 h LEU 56 N -0.26 0.00 -1.40 4.79 3.38 -1.52 -2.93 115.31 117.37 2nr2 h LEU 56 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2nr2 h LEU 56 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2nr2 h LEU 56 CO 0.58 0.55 -0.17 0.77 0.09 0.00 0.00 178.44 180.27 2nr2 h SER 57 N 0.00 0.18 -0.88 -0.43 4.64 -1.44 -1.93 113.55 113.69 2nr2 h SER 57 Ca -0.01 -0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.38 2nr2 h SER 57 Cb 1.14 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.10 2nr2 h SER 57 CO 0.07 0.37 0.52 -0.78 -0.87 0.00 0.00 176.83 176.14 2nr2 h ASP 58 N 0.18 0.75 0.11 4.97 1.82 -1.80 -1.62 116.42 120.82 2nr2 h ASP 58 Ca 0.03 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2nr2 h ASP 58 Cb 0.41 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2nr2 h ASP 58 CO 0.03 0.42 -0.03 -1.22 -1.61 0.00 0.00 179.24 176.83 2nr2 n TYR 59 N -4.70 0.00 -3.25 0.28 4.01 -1.08 -4.90 117.16 107.52 2nr2 n TYR 59 Ca 0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.73 2nr2 n TYR 59 Cb 0.30 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.65 -4.82 -4.63 7.72 5.03 -0.61 -5.02 115.26 112.28 2nr2 n ASN 60 Ca 0.20 -0.39 -0.40 0.00 0.87 0.00 0.00 54.58 54.86 2nr2 n ASN 60 Cb 0.23 -3.72 -0.07 0.00 -1.02 0.00 0.00 39.78 35.20 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 -3.23 5.09 0.55 2.41 1.01 -0.75 -5.03 121.20 121.25 2nr2 s ILE 61 Ca 0.38 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.95 2nr2 s ILE 61 Cb -0.17 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2nr2 s ILE 61 CO 0.52 0.12 0.38 -1.10 0.00 0.00 0.00 174.94 174.86 2nr2 s GLN 62 N 2.07 2.24 0.78 2.79 -1.52 -1.26 -4.57 119.66 120.19 2nr2 s GLN 62 Ca 0.22 -2.08 -0.13 0.00 -1.95 0.00 0.00 55.36 51.41 2nr2 s GLN 62 Cb -0.16 -2.04 0.07 0.00 -0.22 0.00 0.00 33.01 30.66 2nr2 s GLN 62 CO 0.09 -0.64 1.17 -1.59 -0.25 0.00 0.00 175.29 174.07 2nr2 s LYS 63 N -4.27 1.92 0.00 2.91 -2.85 -1.26 -3.45 119.74 112.74 2nr2 s LYS 63 Ca 0.30 1.60 0.00 0.00 -1.00 0.00 0.00 55.97 56.87 2nr2 s LYS 63 Cb -0.02 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 2nr2 s LYS 63 CO 0.19 -1.97 0.00 0.39 0.10 0.00 0.00 175.35 174.06 2nr2 n GLU 64 N -3.19 0.00 -2.04 1.78 1.02 0.48 -4.98 120.64 113.71 2nr2 n GLU 64 Ca 0.12 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 2nr2 n GLU 64 Cb 0.51 -2.16 0.01 0.00 -0.02 0.00 0.00 31.44 29.79 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 -3.36 5.69 -0.18 1.62 0.01 -1.22 -4.74 113.70 111.51 2nr2 s SER 65 Ca 0.00 1.88 -0.02 0.00 1.31 0.00 0.00 55.95 59.12 2nr2 s SER 65 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2nr2 s SER 65 CO 0.00 -1.23 -0.08 -0.89 0.41 0.00 0.00 173.24 171.45 2nr2 s THR 66 N -2.35 3.26 0.32 1.44 2.01 -1.26 0.40 115.64 119.45 2nr2 s THR 66 Ca 0.65 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2nr2 s THR 66 Cb -0.17 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 2nr2 s THR 66 CO 0.36 0.47 0.34 -0.76 -0.69 0.00 0.00 174.62 174.34 2nr2 s LEU 67 N 1.01 3.79 -0.13 4.42 1.43 0.64 -4.75 118.68 125.08 2nr2 s LEU 67 Ca -0.00 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2nr2 s LEU 67 Cb -0.15 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2nr2 s LEU 67 CO -0.01 -0.33 -0.13 -1.00 0.23 0.00 0.00 176.35 175.12 2nr2 s HIS 68 N -2.22 2.82 -0.23 0.29 3.76 0.16 0.26 115.29 120.13 2nr2 s HIS 68 Ca 0.41 -0.65 -0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2nr2 s HIS 68 Cb -0.07 -1.85 0.03 0.00 1.11 0.00 0.00 32.58 31.79 2nr2 s HIS 68 CO 0.28 -0.22 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.67 2nr2 s LEU 69 N 0.38 2.95 0.27 0.89 2.96 -0.68 -0.71 118.68 124.74 2nr2 s LEU 69 Ca -0.10 -0.90 0.10 0.00 -0.22 0.00 0.00 54.13 53.01 2nr2 s LEU 69 Cb -0.16 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2nr2 s LEU 69 CO 0.05 -0.10 -0.07 0.68 -1.32 0.00 0.00 176.35 175.59 2nr2 s VAL 70 N 1.28 3.13 0.04 1.68 -7.23 -0.25 -4.09 120.40 114.94 2nr2 s VAL 70 Ca -0.00 -2.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 2nr2 s VAL 70 Cb -0.16 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2nr2 s VAL 70 CO -0.07 -0.37 0.34 -0.76 -0.31 0.00 0.00 175.10 173.93 2nr2 s LEU 71 N -3.59 4.37 -0.09 1.32 2.01 -1.26 -1.30 118.68 120.15 2nr2 s LEU 71 Ca 0.31 0.71 -0.00 0.00 0.01 0.00 0.00 54.13 55.15 2nr2 s LEU 71 Cb -0.06 -2.79 -0.03 0.00 0.01 0.00 0.00 46.19 43.32 2nr2 s LEU 71 CO 0.18 0.23 -0.06 -0.60 1.01 0.00 0.00 176.35 177.10 2nr2 s ARG 72 N -1.74 2.98 0.07 1.70 3.52 -0.30 -4.86 118.95 120.32 2nr2 s ARG 72 Ca 0.29 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2nr2 s ARG 72 Cb -0.14 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2nr2 s ARG 72 CO 0.16 0.55 0.10 -0.51 -0.81 0.00 0.00 175.30 174.79 2nr2 s LEU 73 N -0.50 3.89 0.58 -0.88 1.43 -1.26 -4.52 118.68 117.42 2nr2 s LEU 73 Ca 0.07 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2nr2 s LEU 73 Cb -0.12 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2nr2 s LEU 73 CO 0.02 0.18 0.93 0.00 0.23 0.00 0.00 176.35 177.71 2nr2 s ARG 74 N -2.36 3.40 0.00 1.70 1.70 -1.26 -4.31 118.95 117.82 2nr2 s ARG 74 Ca 0.30 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.97 2nr2 s ARG 74 Cb -0.12 -2.20 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 2nr2 s ARG 74 CO 0.22 -0.51 0.00 0.41 -1.08 0.00 0.00 175.30 174.34 2nr2 n GLY 75 N -2.58 2.24 0.78 3.88 0.00 -1.26 -5.26 105.19 102.99 2nr2 n GLY 75 Ca 0.04 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93