#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 3.66 0.23 3.17 0.74 -1.26 -1.03 119.66 125.17 2nr2 s GLN 2 Ca 0.00 -0.51 0.05 0.00 0.05 0.00 0.00 55.36 54.95 2nr2 s GLN 2 Cb 0.00 -2.92 -0.05 0.00 1.10 0.00 0.00 33.01 31.14 2nr2 s GLN 2 CO 0.00 0.26 -0.05 0.96 -0.55 0.00 0.00 175.29 175.91 2nr2 s ILE 3 N 0.31 1.36 -0.09 -2.34 -4.36 0.68 -0.34 121.20 116.41 2nr2 s ILE 3 Ca -0.03 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.30 2nr2 s ILE 3 Cb -0.14 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.30 2nr2 s ILE 3 CO 0.03 -0.41 -0.19 -0.36 0.24 0.00 0.00 174.94 174.25 2nr2 s PHE 4 N -3.21 2.15 -0.23 1.37 0.08 0.11 -0.10 117.98 118.15 2nr2 s PHE 4 Ca 0.26 -0.89 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 2nr2 s PHE 4 Cb 0.04 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2nr2 s PHE 4 CO 0.08 -0.39 -0.03 0.08 -0.10 0.00 0.00 175.22 174.86 2nr2 s VAL 5 N 0.54 3.37 -0.02 -0.44 1.01 0.11 0.14 120.40 125.11 2nr2 s VAL 5 Ca -0.16 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2nr2 s VAL 5 Cb -0.17 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2nr2 s VAL 5 CO 0.06 0.34 0.58 -0.54 0.00 0.00 0.00 175.10 175.54 2nr2 s LYS 6 N 1.46 4.31 0.65 2.72 1.02 -0.32 -0.04 119.74 129.54 2nr2 s LYS 6 Ca 0.05 0.69 -0.06 0.00 0.02 0.00 0.00 55.97 56.67 2nr2 s LYS 6 Cb -0.15 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2nr2 s LYS 6 CO -0.03 0.34 0.96 0.95 -0.92 0.00 0.00 175.35 176.65 2nr2 s THR 7 N -0.06 2.88 0.14 2.17 -4.23 0.42 -1.72 115.64 115.24 2nr2 s THR 7 Ca 0.30 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.55 2nr2 s THR 7 Cb -0.18 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 2nr2 s THR 7 CO 0.16 -0.21 1.50 -0.07 -0.54 0.00 0.00 174.62 175.46 2nr2 h LEU 8 N -0.41 0.98 0.68 4.79 3.38 -1.90 -3.35 115.31 119.49 2nr2 h LEU 8 Ca -0.45 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 2nr2 h LEU 8 Cb 1.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2nr2 h LEU 8 CO 0.60 1.21 -0.47 0.71 0.09 0.00 0.00 178.44 180.58 2nr2 h THR 9 N 0.76 0.00 0.00 0.22 1.35 -1.95 -3.47 112.91 109.82 2nr2 h THR 9 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2nr2 h THR 9 Cb 0.88 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2nr2 h THR 9 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2nr2 n GLY 10 N -1.58 0.00 3.86 5.82 0.00 -1.26 -5.16 105.19 106.89 2nr2 n GLY 10 Ca -0.13 0.00 -0.36 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 3.71 -0.21 1.61 2.20 -1.26 -4.88 119.74 120.91 2nr2 s LYS 11 Ca 0.00 0.14 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2nr2 s LYS 11 Cb 0.00 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 2nr2 s LYS 11 CO 0.00 0.66 -0.05 0.99 -0.36 0.00 0.00 175.35 176.58 2nr2 s THR 12 N -1.22 3.31 -0.24 3.43 2.01 -1.26 -0.43 115.64 121.24 2nr2 s THR 12 Ca 0.26 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 2nr2 s THR 12 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2nr2 s THR 12 CO 0.14 0.44 0.13 -0.63 -0.69 0.00 0.00 174.62 174.00 2nr2 s ILE 13 N 1.37 5.01 -0.26 1.82 1.01 0.94 -4.91 121.20 126.17 2nr2 s ILE 13 Ca 0.04 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 2nr2 s ILE 13 Cb -0.14 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2nr2 s ILE 13 CO -0.03 0.35 0.60 -0.89 0.00 0.00 0.00 174.94 174.97 2nr2 s THR 14 N 1.18 5.00 -0.08 2.92 2.01 -1.26 0.07 115.64 125.48 2nr2 s THR 14 Ca 0.06 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.10 2nr2 s THR 14 Cb -0.14 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2nr2 s THR 14 CO 0.05 0.01 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.14 2nr2 s LEU 15 N 2.48 3.00 -0.27 4.42 1.43 0.86 -4.97 118.68 125.63 2nr2 s LEU 15 Ca 0.25 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 2nr2 s LEU 15 Cb -0.15 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2nr2 s LEU 15 CO 0.09 0.30 0.56 -1.61 0.23 0.00 0.00 176.35 175.92 2nr2 s GLU 16 N -0.47 4.05 0.29 1.70 2.02 -1.26 -0.23 118.70 124.80 2nr2 s GLU 16 Ca 0.07 0.37 0.06 0.00 0.02 0.00 0.00 54.97 55.49 2nr2 s GLU 16 Cb -0.12 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 2nr2 s GLU 16 CO 0.02 -0.40 0.23 1.33 0.02 0.00 0.00 175.26 176.47 2nr2 n VAL 17 N 5.20 0.00 -4.41 2.63 0.24 -0.20 -4.94 118.33 116.85 2nr2 n VAL 17 Ca -0.03 -2.06 -0.21 0.00 -2.04 0.00 0.00 64.34 60.00 2nr2 n VAL 17 Cb 0.49 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 2nr2 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2nr2 s GLU 18 N -3.16 1.50 0.00 7.34 0.41 -1.26 0.76 118.70 124.29 2nr2 s GLU 18 Ca 0.33 -1.67 0.14 0.00 -0.41 0.00 0.00 54.97 53.36 2nr2 s GLU 18 Cb 0.02 -1.45 0.65 0.00 -1.78 0.00 0.00 34.13 31.57 2nr2 s GLU 18 CO 0.23 0.26 1.42 -0.35 -0.49 0.00 0.00 175.26 176.33 2nr2 n PRO 19 N -0.47 0.10 0.00 0.39 -0.04 -1.26 -1.16 135.00 132.56 2nr2 n PRO 19 Ca -0.07 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.75 2nr2 n PRO 19 Cb 0.60 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.26 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 -1.40 0.04 -4.80 3.54 3.41 -1.26 -1.71 113.62 111.44 2nr2 n SER 20 Ca 0.05 0.03 -0.36 0.00 -0.26 0.00 0.00 58.87 58.33 2nr2 n SER 20 Cb 0.14 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.71 7.14 0.58 4.04 1.01 -0.31 -4.90 116.67 121.52 2nr2 s ASP 21 Ca 0.24 1.57 -0.16 0.00 0.71 0.00 0.00 52.55 54.91 2nr2 s ASP 21 Cb 0.20 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 2nr2 s ASP 21 CO 0.49 -0.04 1.05 0.42 0.21 0.00 0.00 175.17 177.30 2nr2 s THR 22 N -1.61 3.93 0.53 -1.27 -4.23 -1.26 -2.45 115.64 109.27 2nr2 s THR 22 Ca 0.47 0.91 0.19 0.00 -1.18 0.00 0.00 61.69 62.08 2nr2 s THR 22 Cb -0.17 -3.44 0.31 0.00 1.34 0.00 0.00 72.50 70.55 2nr2 s THR 22 CO 0.21 -0.54 2.11 0.40 -0.54 0.00 0.00 174.62 176.26 2nr2 h ILE 23 N 0.49 0.90 -0.19 2.99 1.08 -1.00 0.18 117.51 121.96 2nr2 h ILE 23 Ca -0.47 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 2nr2 h ILE 23 Cb 1.21 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 2nr2 h ILE 23 CO 0.58 0.00 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.78 2nr2 h GLU 24 N 0.00 0.32 0.00 2.37 4.81 -1.41 -2.73 114.58 117.94 2nr2 h GLU 24 Ca 0.08 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2nr2 h GLU 24 Cb 0.31 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2nr2 h GLU 24 CO -0.00 0.50 -0.54 -0.91 -0.73 0.00 0.00 179.01 177.33 2nr2 h ASN 25 N 0.29 0.00 0.02 1.04 2.35 -0.94 0.10 115.58 118.45 2nr2 h ASN 25 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2nr2 h ASN 25 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2nr2 h ASN 25 CO 0.03 0.54 -0.01 0.58 -1.65 0.00 0.00 177.43 176.92 2nr2 h VAL 26 N 0.00 1.07 0.00 2.81 2.07 -1.34 -0.87 116.25 119.99 2nr2 h VAL 26 Ca -0.01 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2nr2 h VAL 26 Cb 1.04 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2nr2 h VAL 26 CO 0.07 0.07 -0.35 0.11 0.02 0.00 0.00 177.57 177.49 2nr2 h LYS 27 N -0.15 0.00 -0.19 1.57 1.57 -1.22 -0.78 116.57 117.37 2nr2 h LYS 27 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2nr2 h LYS 27 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 2nr2 h LYS 27 CO 0.00 0.35 -0.71 0.00 -0.57 0.00 0.00 179.45 178.53 2nr2 h ALA 28 N 1.65 0.39 -0.57 3.86 0.00 -0.65 0.80 119.26 124.74 2nr2 h ALA 28 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2nr2 h ALA 28 Cb 0.73 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2nr2 h ALA 28 CO 0.05 0.69 -0.04 0.87 0.00 0.00 0.00 179.25 180.81 2nr2 h LYS 29 N 0.55 1.04 -0.07 0.00 1.79 -0.93 -2.25 116.57 116.70 2nr2 h LYS 29 Ca -0.03 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.05 2nr2 h LYS 29 Cb 1.32 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 2nr2 h LYS 29 CO 0.15 1.04 -0.14 0.82 -1.08 0.00 0.00 179.45 180.23 2nr2 h ILE 30 N 0.94 1.14 0.70 1.86 2.04 -0.89 -2.03 117.51 121.26 2nr2 h ILE 30 Ca 0.16 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2nr2 h ILE 30 Cb 0.60 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2nr2 h ILE 30 CO 0.04 0.19 -0.33 -0.61 0.00 0.00 0.00 178.15 177.44 2nr2 h GLN 31 N 0.10 -0.90 -1.02 2.37 4.15 -0.74 0.14 115.11 119.21 2nr2 h GLN 31 Ca 0.02 0.06 0.31 0.00 0.77 0.00 0.00 58.65 59.81 2nr2 h GLN 31 Cb 0.32 0.20 -0.14 0.00 0.21 0.00 0.00 27.48 28.07 2nr2 h GLN 31 CO 0.02 -0.60 0.60 0.22 -1.93 0.00 0.00 178.83 177.14 2nr2 h ASP 32 N -1.17 0.54 0.00 -0.69 3.58 -1.42 -1.25 116.42 116.00 2nr2 h ASP 32 Ca -0.10 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2nr2 h ASP 32 Cb 0.72 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2nr2 h ASP 32 CO 0.16 -0.07 -0.40 1.17 -2.88 0.00 0.00 179.24 177.21 2nr2 n LYS 33 N -4.97 0.32 0.05 0.28 0.00 -0.77 -4.68 118.16 108.40 2nr2 n LYS 33 Ca 0.31 0.39 0.11 0.00 0.00 0.00 0.00 58.31 59.12 2nr2 n LYS 33 Cb 0.95 -1.35 -0.01 0.00 0.00 0.00 0.00 35.03 34.62 2nr2 n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2nr2 n GLU 34 N -3.86 0.48 -0.06 1.64 -0.58 0.49 -4.94 120.64 113.82 2nr2 n GLU 34 Ca -0.06 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2nr2 n GLU 34 Cb 0.21 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 1.27 0.47 3.73 0.62 0.00 -0.47 -5.02 105.19 105.79 2nr2 n GLY 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.19 3.93 0.23 -0.61 1.01 -1.25 -4.95 121.20 117.37 2nr2 s ILE 36 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 61.91 2nr2 s ILE 36 Cb 0.00 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2nr2 s ILE 36 CO 0.00 0.22 1.07 -2.84 0.00 0.00 0.00 174.94 173.39 2nr2 s PRO 37 N 0.11 4.66 0.53 2.79 0.02 -1.26 -3.88 135.00 137.97 2nr2 s PRO 37 Ca 0.52 1.71 0.28 0.00 0.02 0.00 0.00 61.00 63.53 2nr2 s PRO 37 Cb -0.29 -3.24 1.48 0.00 0.02 0.00 0.00 34.50 32.46 2nr2 s PRO 37 CO 0.33 0.21 2.08 -1.35 -0.33 0.00 0.00 177.00 177.95 2nr2 h PRO 38 N 4.40 0.00 -0.78 5.54 0.11 -1.95 -2.55 132.00 136.77 2nr2 h PRO 38 Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.76 2nr2 h PRO 38 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2nr2 h PRO 38 CO 0.69 0.11 0.51 0.22 -0.21 0.00 0.00 178.00 179.32 2nr2 h ASP 39 N 0.00 0.59 1.18 -2.05 3.58 -1.97 -1.89 116.42 115.87 2nr2 h ASP 39 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2nr2 h ASP 39 Cb 0.32 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2nr2 h ASP 39 CO 0.01 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.72 2nr2 n GLN 40 N -4.51 0.10 -2.98 0.28 6.02 -0.96 -4.86 117.38 110.48 2nr2 n GLN 40 Ca 0.13 0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.80 2nr2 n GLN 40 Cb 0.37 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 2nr2 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2nr2 s GLN 41 N -3.04 4.19 -0.33 -1.09 -0.21 -0.71 -2.12 119.66 116.35 2nr2 s GLN 41 Ca 0.13 0.82 -0.06 0.00 0.02 0.00 0.00 55.36 56.27 2nr2 s GLN 41 Cb 0.16 -3.62 0.04 0.00 1.00 0.00 0.00 33.01 30.59 2nr2 s GLN 41 CO 0.55 -0.42 0.08 0.50 -2.12 0.00 0.00 175.29 173.89 2nr2 s ARG 42 N 2.49 2.64 -0.28 2.91 3.52 0.77 -5.02 118.95 125.98 2nr2 s ARG 42 Ca 0.33 -1.16 -0.13 0.00 -0.13 0.00 0.00 55.73 54.64 2nr2 s ARG 42 Cb -0.16 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 2nr2 s ARG 42 CO 0.09 -0.63 0.28 -0.51 -0.81 0.00 0.00 175.30 173.72 2nr2 s LEU 43 N 1.38 4.08 -0.10 -0.88 1.43 -1.26 -1.67 118.68 121.67 2nr2 s LEU 43 Ca -0.02 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2nr2 s LEU 43 Cb -0.19 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2nr2 s LEU 43 CO 0.02 -0.14 -0.03 -0.63 0.23 0.00 0.00 176.35 175.80 2nr2 s ILE 44 N 1.91 4.04 -0.10 -0.59 -1.09 0.24 -1.65 121.20 123.96 2nr2 s ILE 44 Ca 0.11 -0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.18 2nr2 s ILE 44 Cb -0.16 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 2nr2 s ILE 44 CO 0.11 0.58 -0.08 0.12 -1.23 0.00 0.00 174.94 174.44 2nr2 s PHE 45 N -0.59 1.39 0.00 3.97 5.36 0.10 -1.07 117.98 127.14 2nr2 s PHE 45 Ca 0.09 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 2nr2 s PHE 45 Cb -0.12 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.40 2nr2 s PHE 45 CO 0.02 -0.46 0.00 0.00 -1.46 0.00 0.00 175.22 173.32 2nr2 n ALA 46 N 4.78 0.00 -0.42 11.12 0.00 -1.26 -1.12 120.51 133.60 2nr2 n ALA 46 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nr2 n ALA 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.79 3.56 0.00 0.00 -1.26 -5.06 105.19 103.21 2nr2 n GLY 47 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.66 2.95 -0.16 1.61 2.20 -0.28 -5.09 119.74 120.31 2nr2 s LYS 48 Ca 0.01 -0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 54.92 2nr2 s LYS 48 Cb 0.01 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2nr2 s LYS 48 CO 0.00 0.57 0.34 -1.14 -0.36 0.00 0.00 175.35 174.75 2nr2 s GLN 49 N -0.54 4.26 -0.14 4.03 0.74 -1.26 -0.72 119.66 126.02 2nr2 s GLN 49 Ca 0.08 0.16 -0.08 0.00 0.05 0.00 0.00 55.36 55.58 2nr2 s GLN 49 Cb -0.12 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 2nr2 s GLN 49 CO 0.02 0.17 0.13 -0.51 -0.55 0.00 0.00 175.29 174.55 2nr2 s LEU 50 N 0.65 4.29 0.21 3.68 1.43 -0.66 -5.01 118.68 123.28 2nr2 s LEU 50 Ca 0.18 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2nr2 s LEU 50 Cb -0.14 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 2nr2 s LEU 50 CO 0.06 0.34 0.96 -1.61 0.23 0.00 0.00 176.35 176.32 2nr2 s GLU 51 N -0.59 4.81 0.12 1.70 2.02 -1.26 -4.72 118.70 120.78 2nr2 s GLU 51 Ca 0.13 1.51 -0.19 0.00 0.02 0.00 0.00 54.97 56.44 2nr2 s GLU 51 Cb -0.12 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 2nr2 s GLU 51 CO 0.02 0.42 1.75 -0.44 0.02 0.00 0.00 175.26 177.03 2nr2 h ASP 52 N 4.46 0.32 -0.39 -0.19 5.19 -1.97 -2.47 116.42 121.37 2nr2 h ASP 52 Ca -0.45 -0.06 -0.24 0.00 -0.62 0.00 0.00 57.03 55.67 2nr2 h ASP 52 Cb 1.20 -0.08 -0.12 0.00 0.18 0.00 0.00 39.33 40.52 2nr2 h ASP 52 CO 0.69 0.28 0.31 0.61 -3.12 0.00 0.00 179.24 178.01 2nr2 n GLY 53 N -1.04 3.46 3.60 2.75 0.00 -1.26 -1.17 105.19 111.54 2nr2 n GLY 53 Ca -0.02 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.40 2.13 0.44 1.61 1.81 -0.93 -5.00 118.95 117.61 2nr2 s ARG 54 Ca 0.24 -1.53 0.08 0.00 -1.72 0.00 0.00 55.73 52.80 2nr2 s ARG 54 Cb 0.19 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.67 2nr2 s ARG 54 CO 0.02 0.33 0.59 0.95 -0.68 0.00 0.00 175.30 176.51 2nr2 s THR 55 N -2.39 2.83 0.42 0.02 -4.23 -1.26 -1.19 115.64 109.84 2nr2 s THR 55 Ca 0.31 -1.03 0.30 0.00 -1.18 0.00 0.00 61.69 60.10 2nr2 s THR 55 Cb -0.05 -2.86 0.33 0.00 1.34 0.00 0.00 72.50 71.25 2nr2 s THR 55 CO 0.19 0.00 2.11 -0.07 -0.54 0.00 0.00 174.62 176.30 2nr2 h LEU 56 N 0.60 0.00 0.96 4.79 3.38 -1.41 -3.22 115.31 120.41 2nr2 h LEU 56 Ca -0.38 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2nr2 h LEU 56 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 2nr2 h LEU 56 CO 0.45 0.08 -0.46 -1.28 0.09 0.00 0.00 178.44 177.33 2nr2 h SER 57 N 0.00 -1.09 -0.96 -0.43 0.87 -1.59 0.10 113.55 110.45 2nr2 h SER 57 Ca -0.00 0.04 0.38 0.00 -1.23 0.00 0.00 61.79 60.97 2nr2 h SER 57 Cb 0.30 0.28 -0.17 0.00 -0.44 0.00 0.00 62.40 62.37 2nr2 h SER 57 CO 0.01 -0.77 0.42 0.47 -0.53 0.00 0.00 176.83 176.44 2nr2 n ASP 58 N -5.64 0.25 -1.21 6.23 8.00 -1.22 -0.63 116.55 122.34 2nr2 n ASP 58 Ca -0.16 1.61 0.11 0.00 0.71 0.00 0.00 54.79 57.05 2nr2 n ASP 58 Cb 0.51 -0.75 0.29 0.00 -0.02 0.00 0.00 41.12 41.15 2nr2 n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2nr2 n TYR 59 N -5.23 0.86 -3.72 1.24 4.01 -1.21 -4.96 117.16 108.14 2nr2 n TYR 59 Ca 0.34 -0.43 -0.23 0.00 -0.16 0.00 0.00 57.90 57.42 2nr2 n TYR 59 Cb 1.15 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.20 2nr2 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2nr2 n ASN 60 N 1.42 -1.55 -4.51 7.72 5.15 0.20 -5.00 115.26 118.68 2nr2 n ASN 60 Ca 0.22 -0.87 -0.39 0.00 -0.60 0.00 0.00 54.58 52.94 2nr2 n ASN 60 Cb 0.55 -3.87 -0.11 0.00 -0.53 0.00 0.00 39.78 35.82 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2nr2 s ILE 61 N -3.69 5.01 0.00 -1.44 1.01 0.34 -5.02 121.20 117.40 2nr2 s ILE 61 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2nr2 s ILE 61 Cb -0.02 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2nr2 s ILE 61 CO 0.83 0.10 0.00 0.00 0.00 0.00 0.00 174.94 175.87 2nr2 n GLN 62 N 5.04 3.66 -2.48 2.79 6.02 -1.26 -4.62 117.38 126.52 2nr2 n GLN 62 Ca -0.14 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.47 2nr2 n GLN 62 Cb 0.50 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.72 2nr2 n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2nr2 s LYS 63 N 3.56 4.42 -0.91 -1.09 1.02 -1.26 -3.91 119.74 121.57 2nr2 s LYS 63 Ca 0.00 1.70 -0.02 0.00 0.02 0.00 0.00 55.97 57.67 2nr2 s LYS 63 Cb 0.00 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2nr2 s LYS 63 CO 0.00 0.04 0.26 0.39 -0.92 0.00 0.00 175.35 175.12 2nr2 n GLU 64 N 0.64 -2.30 -3.38 1.68 1.02 0.54 -4.99 120.64 113.86 2nr2 n GLU 64 Ca 0.02 0.53 -0.38 0.00 -0.02 0.00 0.00 57.16 57.30 2nr2 n GLU 64 Cb 0.47 -4.59 -0.06 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 -2.75 6.85 -0.27 1.62 0.01 -1.24 -4.81 113.70 113.11 2nr2 s SER 65 Ca 0.13 1.01 -0.07 0.00 1.31 0.00 0.00 55.95 58.33 2nr2 s SER 65 Cb -0.06 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2nr2 s SER 65 CO 0.16 0.21 0.06 -0.89 0.41 0.00 0.00 173.24 173.19 2nr2 s THR 66 N -0.58 4.02 0.19 1.44 2.01 -1.26 0.05 115.64 121.52 2nr2 s THR 66 Ca 0.26 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2nr2 s THR 66 Cb -0.17 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2nr2 s THR 66 CO 0.14 0.21 0.22 -0.76 -0.69 0.00 0.00 174.62 173.74 2nr2 s LEU 67 N 1.54 4.00 -0.17 4.42 2.01 0.12 -4.76 118.68 125.84 2nr2 s LEU 67 Ca 0.04 -0.06 0.00 0.00 0.01 0.00 0.00 54.13 54.12 2nr2 s LEU 67 Cb -0.16 -2.57 0.01 0.00 0.01 0.00 0.00 46.19 43.47 2nr2 s LEU 67 CO 0.02 0.02 -0.16 -1.00 1.01 0.00 0.00 176.35 176.24 2nr2 s HIS 68 N -1.87 2.79 -0.76 0.29 3.76 -0.24 -1.17 115.29 118.08 2nr2 s HIS 68 Ca 0.33 -1.24 -0.16 0.00 -0.15 0.00 0.00 55.06 53.83 2nr2 s HIS 68 Cb -0.10 -1.91 0.17 0.00 1.11 0.00 0.00 32.58 31.85 2nr2 s HIS 68 CO 0.26 -0.60 0.78 -1.17 -0.85 0.00 0.00 174.74 173.16 2nr2 s LEU 69 N 1.03 6.11 -0.02 0.89 2.96 -0.70 -0.59 118.68 128.36 2nr2 s LEU 69 Ca -0.01 -2.21 -0.17 0.00 -0.22 0.00 0.00 54.13 51.52 2nr2 s LEU 69 Cb -0.15 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 2nr2 s LEU 69 CO -0.04 -0.81 0.49 -0.69 -1.32 0.00 0.00 176.35 173.98 2nr2 s VAL 70 N 1.30 5.00 0.32 1.68 1.01 -0.67 -3.99 120.40 125.05 2nr2 s VAL 70 Ca 0.17 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.23 2nr2 s VAL 70 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2nr2 s VAL 70 CO -0.04 0.48 0.18 -0.76 0.00 0.00 0.00 175.10 174.95 2nr2 s LEU 71 N -0.45 3.42 0.35 3.92 1.43 -1.26 -0.16 118.68 125.93 2nr2 s LEU 71 Ca 0.26 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2nr2 s LEU 71 Cb -0.17 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 2nr2 s LEU 71 CO 0.14 -0.26 0.68 -0.60 0.23 0.00 0.00 176.35 176.54 2nr2 s ARG 72 N -3.87 3.74 0.17 1.70 3.52 -0.90 -4.95 118.95 118.36 2nr2 s ARG 72 Ca 0.38 0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 55.96 2nr2 s ARG 72 Cb -0.04 -2.50 -0.10 0.00 -1.56 0.00 0.00 34.95 30.75 2nr2 s ARG 72 CO 0.24 0.08 1.54 -0.51 -0.81 0.00 0.00 175.30 175.84 2nr2 s LEU 73 N -3.64 4.37 -0.33 -0.88 1.43 -1.26 -5.00 118.68 113.37 2nr2 s LEU 73 Ca 0.48 2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.90 2nr2 s LEU 73 Cb -0.10 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.54 2nr2 s LEU 73 CO 0.30 -0.80 1.10 -0.13 0.23 0.00 0.00 176.35 177.05 2nr2 s ARG 74 N 0.96 4.03 0.28 1.70 0.52 -1.26 -4.73 118.95 120.45 2nr2 s ARG 74 Ca 0.68 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 2nr2 s ARG 74 Cb -0.43 -3.76 0.00 0.00 0.52 0.00 0.00 34.95 31.28 2nr2 s ARG 74 CO 0.33 -0.96 0.00 0.41 0.02 0.00 0.00 175.30 175.09 2nr2 n GLY 75 N 3.99 -0.47 0.00 -3.53 0.00 -1.26 -5.33 105.19 98.59 2nr2 n GLY 75 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93