#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 3.71 0.13 2.12 0.74 -1.26 -1.53 119.66 123.58 2nr2 s GLN 2 Ca 0.00 0.17 -0.01 0.00 0.05 0.00 0.00 55.36 55.57 2nr2 s GLN 2 Cb 0.00 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 2nr2 s GLN 2 CO 0.00 0.71 0.05 0.96 -0.55 0.00 0.00 175.29 176.46 2nr2 s ILE 3 N -1.10 0.18 -0.01 -2.34 -4.36 -0.92 -0.11 121.20 112.54 2nr2 s ILE 3 Ca 0.22 -1.92 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 2nr2 s ILE 3 Cb -0.15 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 2nr2 s ILE 3 CO 0.11 -0.48 -0.20 -0.36 0.24 0.00 0.00 174.94 174.25 2nr2 s PHE 4 N -4.00 1.79 -0.23 1.37 0.08 -0.80 -1.72 117.98 114.48 2nr2 s PHE 4 Ca 0.24 -0.34 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 2nr2 s PHE 4 Cb 0.07 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2nr2 s PHE 4 CO 0.02 -0.01 -0.00 0.08 -0.10 0.00 0.00 175.22 175.21 2nr2 s VAL 5 N -0.53 3.74 -0.05 -0.44 1.01 -0.72 -1.13 120.40 122.29 2nr2 s VAL 5 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2nr2 s VAL 5 Cb -0.08 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2nr2 s VAL 5 CO -0.00 0.40 0.35 -0.54 0.00 0.00 0.00 175.10 175.31 2nr2 s LYS 6 N 1.43 3.91 0.00 2.72 -0.14 -0.03 -0.56 119.74 127.08 2nr2 s LYS 6 Ca 0.05 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 2nr2 s LYS 6 Cb -0.15 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 2nr2 s LYS 6 CO -0.00 0.61 0.00 0.25 -0.76 0.00 0.00 175.35 175.44 2nr2 n THR 7 N 2.22 0.00 0.01 2.17 -2.24 -0.01 -1.36 114.28 115.08 2nr2 n THR 7 Ca -0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 2nr2 n THR 7 Cb 0.53 -1.93 -0.12 0.00 -2.10 0.00 0.00 70.33 66.70 2nr2 n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2nr2 h LEU 8 N 0.00 0.48 0.05 3.22 5.85 -1.90 -3.39 115.31 119.61 2nr2 h LEU 8 Ca 0.00 -0.83 -0.00 0.00 0.84 0.00 0.00 57.88 57.89 2nr2 h LEU 8 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2nr2 h LEU 8 CO 0.00 1.25 -0.02 0.71 -0.34 0.00 0.00 178.44 180.04 2nr2 h THR 9 N -0.23 1.08 0.00 1.05 1.35 -1.94 -3.48 112.91 110.74 2nr2 h THR 9 Ca -0.09 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 2nr2 h THR 9 Cb 1.39 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2nr2 h THR 9 CO 0.12 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 2nr2 n GLY 10 N 1.30 0.00 3.79 5.82 0.00 -1.26 -5.13 105.19 109.70 2nr2 n GLY 10 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 4.44 -0.34 1.61 2.20 -1.26 -4.78 119.74 121.61 2nr2 s LYS 11 Ca 0.00 1.01 -0.12 0.00 -0.36 0.00 0.00 55.97 56.50 2nr2 s LYS 11 Cb 0.00 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2nr2 s LYS 11 CO 0.00 0.58 0.22 0.99 -0.36 0.00 0.00 175.35 176.78 2nr2 s THR 12 N -1.09 5.00 -0.24 3.43 2.01 -1.26 -0.83 115.64 122.67 2nr2 s THR 12 Ca 0.33 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.78 2nr2 s THR 12 Cb -0.22 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2nr2 s THR 12 CO 0.24 -0.05 0.33 -0.63 -0.69 0.00 0.00 174.62 173.82 2nr2 s ILE 13 N 1.67 5.22 -0.15 1.82 1.01 0.27 -4.86 121.20 126.18 2nr2 s ILE 13 Ca 0.05 0.53 -0.23 0.00 0.00 0.00 0.00 60.65 61.00 2nr2 s ILE 13 Cb -0.18 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2nr2 s ILE 13 CO 0.09 0.23 0.70 -0.89 0.00 0.00 0.00 174.94 175.07 2nr2 s THR 14 N 1.58 4.99 0.12 2.92 2.01 -1.26 -1.75 115.64 124.26 2nr2 s THR 14 Ca 0.15 1.37 0.07 0.00 0.31 0.00 0.00 61.69 63.60 2nr2 s THR 14 Cb -0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2nr2 s THR 14 CO 0.08 0.13 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.21 2nr2 s LEU 15 N 1.62 2.36 -0.28 4.42 1.43 -0.70 -5.03 118.68 122.50 2nr2 s LEU 15 Ca 0.34 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2nr2 s LEU 15 Cb -0.16 -0.75 0.08 0.00 0.03 0.00 0.00 46.19 45.38 2nr2 s LEU 15 CO 0.13 -0.03 -0.01 -0.70 0.23 0.00 0.00 176.35 175.97 2nr2 s GLU 16 N -2.30 1.60 0.00 1.70 2.56 -1.26 -2.16 118.70 118.84 2nr2 s GLU 16 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 54.97 53.69 2nr2 s GLU 16 Cb -0.08 -2.78 0.00 0.00 2.00 0.00 0.00 34.13 33.27 2nr2 s GLU 16 CO 0.04 -0.75 0.00 1.33 -0.56 0.00 0.00 175.26 175.32 2nr2 n VAL 17 N 4.50 0.00 -4.47 3.70 0.24 -0.58 -4.88 118.33 116.84 2nr2 n VAL 17 Ca -0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 2nr2 n VAL 17 Cb 0.43 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.35 1.64 0.16 7.34 0.41 -1.26 0.46 118.70 126.11 2nr2 s GLU 18 Ca 0.00 -1.80 0.25 0.00 -0.41 0.00 0.00 54.97 53.02 2nr2 s GLU 18 Cb 0.00 -1.54 0.61 0.00 -1.78 0.00 0.00 34.13 31.43 2nr2 s GLU 18 CO 0.00 0.19 1.58 -0.35 -0.49 0.00 0.00 175.26 176.19 2nr2 n PRO 19 N -0.63 0.27 -0.00 0.39 -0.04 -1.26 -2.71 135.00 131.02 2nr2 n PRO 19 Ca -0.06 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 2nr2 n PRO 19 Cb 0.62 -1.74 0.82 0.00 -0.04 0.00 0.00 33.50 33.16 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 -2.17 0.15 -4.87 3.54 3.41 -1.26 -0.71 113.62 111.71 2nr2 n SER 20 Ca 0.05 -1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 57.21 2nr2 n SER 20 Cb 0.43 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.90 6.42 0.52 4.04 1.01 -1.10 -4.87 116.67 120.79 2nr2 s ASP 21 Ca 0.43 1.26 -0.04 0.00 0.71 0.00 0.00 52.55 54.91 2nr2 s ASP 21 Cb 0.20 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2nr2 s ASP 21 CO 0.33 -0.59 0.80 0.42 0.21 0.00 0.00 175.17 176.34 2nr2 s THR 22 N -2.70 4.10 0.35 -1.27 -4.23 -1.26 -1.83 115.64 108.80 2nr2 s THR 22 Ca 0.53 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.00 2nr2 s THR 22 Cb -0.10 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.34 2nr2 s THR 22 CO 0.39 -0.53 1.91 0.40 -0.54 0.00 0.00 174.62 176.25 2nr2 h ILE 23 N 0.10 1.18 -0.47 2.99 1.08 -1.01 -2.41 117.51 118.97 2nr2 h ILE 23 Ca -0.46 -0.68 0.06 0.00 -0.39 0.00 0.00 64.86 63.39 2nr2 h ILE 23 Cb 1.24 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 2nr2 h ILE 23 CO 0.60 0.24 0.16 -0.08 -0.69 0.00 0.00 178.15 178.38 2nr2 h GLU 24 N 0.51 0.32 -0.87 2.37 4.81 -1.53 -2.46 114.58 117.73 2nr2 h GLU 24 Ca 0.12 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.42 2nr2 h GLU 24 Cb 0.26 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 2nr2 h GLU 24 CO 0.00 0.21 0.56 -0.91 -0.73 0.00 0.00 179.01 178.14 2nr2 h ASN 25 N 0.32 0.77 -0.82 1.04 2.35 -1.74 -2.19 115.58 115.31 2nr2 h ASN 25 Ca 0.22 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2nr2 h ASN 25 Cb 0.23 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2nr2 h ASN 25 CO -0.23 0.45 0.39 0.58 -1.65 0.00 0.00 177.43 176.97 2nr2 h VAL 26 N 0.85 1.25 0.00 2.81 2.07 -1.21 -2.65 116.25 119.37 2nr2 h VAL 26 Ca 0.40 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2nr2 h VAL 26 Cb 0.42 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2nr2 h VAL 26 CO -0.17 0.31 -0.08 0.11 0.02 0.00 0.00 177.57 177.76 2nr2 h LYS 27 N 1.16 0.00 0.00 1.57 1.57 -1.09 -2.40 116.57 117.38 2nr2 h LYS 27 Ca 0.28 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 2nr2 h LYS 27 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2nr2 h LYS 27 CO -0.03 0.08 -0.56 0.00 -0.57 0.00 0.00 179.45 178.37 2nr2 h ALA 28 N 1.92 0.89 -0.07 3.86 0.00 -1.25 -2.80 119.26 121.81 2nr2 h ALA 28 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 2nr2 h ALA 28 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2nr2 h ALA 28 CO 0.01 0.70 -0.80 0.87 0.00 0.00 0.00 179.25 180.03 2nr2 h LYS 29 N 0.00 0.48 -0.33 0.00 1.79 -1.21 -2.16 116.57 115.13 2nr2 h LYS 29 Ca -0.01 -0.42 -0.18 0.00 -2.18 0.00 0.00 60.65 57.87 2nr2 h LYS 29 Cb 1.12 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2nr2 h LYS 29 CO 0.07 1.06 -0.48 0.82 -1.08 0.00 0.00 179.45 179.85 2nr2 h ILE 30 N 0.31 1.27 -0.97 1.86 2.04 -1.50 -1.74 117.51 118.79 2nr2 h ILE 30 Ca -0.05 -1.65 0.16 0.00 1.00 0.00 0.00 64.86 64.32 2nr2 h ILE 30 Cb 1.40 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 2nr2 h ILE 30 CO 0.14 0.55 0.61 -0.61 0.00 0.00 0.00 178.15 178.84 2nr2 h GLN 31 N 0.72 0.75 -0.15 2.37 5.75 -1.38 0.86 115.11 124.03 2nr2 h GLN 31 Ca 0.04 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 2nr2 h GLN 31 Cb 1.08 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 2nr2 h GLN 31 CO 0.11 0.50 -0.10 0.22 -2.65 0.00 0.00 178.83 176.91 2nr2 h ASP 32 N 0.78 0.34 0.00 -0.69 3.58 -1.11 -3.15 116.42 116.17 2nr2 h ASP 32 Ca 0.51 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2nr2 h ASP 32 Cb 0.76 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2nr2 h ASP 32 CO -0.28 0.71 -0.00 0.50 -2.88 0.00 0.00 179.24 177.28 2nr2 h LYS 33 N -0.02 0.00 0.03 0.28 1.63 -0.90 -3.42 116.57 114.17 2nr2 h LYS 33 Ca 0.03 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.48 2nr2 h LYS 33 Cb 0.59 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.18 2nr2 h LYS 33 CO 0.03 0.42 -1.97 0.39 -3.45 0.00 0.00 179.45 174.86 2nr2 n GLU 34 N -4.71 0.64 0.00 1.90 -0.58 0.26 -5.03 120.64 113.12 2nr2 n GLU 34 Ca -0.04 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2nr2 n GLU 34 Cb 0.20 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 1.69 0.72 3.09 0.62 0.00 -0.99 -5.03 105.19 105.28 2nr2 n GLY 35 Ca -0.40 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.20 1.54 0.31 -0.61 1.01 -1.26 -4.97 121.20 116.02 2nr2 s ILE 36 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 2nr2 s ILE 36 Cb 0.00 -1.38 -0.10 0.00 0.01 0.00 0.00 42.46 40.98 2nr2 s ILE 36 CO 0.00 0.45 1.36 -2.84 0.00 0.00 0.00 174.94 173.90 2nr2 s PRO 37 N 0.74 4.31 0.26 2.79 0.02 -1.26 -3.60 135.00 138.25 2nr2 s PRO 37 Ca -0.12 2.26 0.21 0.00 0.02 0.00 0.00 61.00 63.37 2nr2 s PRO 37 Cb -0.16 -3.08 0.99 0.00 0.02 0.00 0.00 34.50 32.27 2nr2 s PRO 37 CO 0.02 -0.28 1.63 -2.30 -0.33 0.00 0.00 177.00 175.75 2nr2 n PRO 38 N 1.22 0.15 0.16 5.54 -0.02 -1.26 0.09 135.00 140.87 2nr2 n PRO 38 Ca 0.02 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2nr2 n PRO 38 Cb 0.41 -1.87 0.47 0.00 -0.02 0.00 0.00 33.50 32.49 2nr2 n PRO 38 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2nr2 h ASP 39 N 0.00 0.00 -0.20 2.55 3.32 -1.94 -3.09 116.42 117.06 2nr2 h ASP 39 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nr2 h ASP 39 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2nr2 h ASP 39 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2nr2 n GLN 40 N -2.51 1.90 -3.80 3.56 6.02 0.11 -4.69 117.38 117.98 2nr2 n GLN 40 Ca 0.03 -1.36 -0.36 0.00 -0.01 0.00 0.00 57.00 55.31 2nr2 n GLN 40 Cb 0.34 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.75 2.02 -0.23 -1.09 -0.21 -1.17 -0.22 119.66 117.02 2nr2 s GLN 41 Ca 0.34 -1.77 -0.16 0.00 0.02 0.00 0.00 55.36 53.79 2nr2 s GLN 41 Cb 0.19 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 2nr2 s GLN 41 CO 0.28 -1.02 0.43 1.03 -2.12 0.00 0.00 175.29 173.88 2nr2 s ARG 42 N 1.14 4.11 -0.18 2.91 1.81 0.97 -4.97 118.95 124.74 2nr2 s ARG 42 Ca 0.07 0.20 -0.03 0.00 -1.72 0.00 0.00 55.73 54.26 2nr2 s ARG 42 Cb -0.22 -3.59 -0.01 0.00 -0.45 0.00 0.00 34.95 30.67 2nr2 s ARG 42 CO -0.04 -0.18 -0.07 -0.51 -0.68 0.00 0.00 175.30 173.82 2nr2 s LEU 43 N 1.75 2.90 0.01 2.53 1.43 -1.26 -0.51 118.68 125.53 2nr2 s LEU 43 Ca 0.19 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2nr2 s LEU 43 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2nr2 s LEU 43 CO 0.09 0.07 -0.07 -0.63 0.23 0.00 0.00 176.35 176.04 2nr2 s ILE 44 N 0.93 3.63 -0.12 -0.59 -1.09 0.06 -2.09 121.20 121.94 2nr2 s ILE 44 Ca -0.01 -0.80 -0.04 0.00 -2.23 0.00 0.00 60.65 57.58 2nr2 s ILE 44 Cb -0.15 -2.59 0.06 0.00 -1.58 0.00 0.00 42.46 38.21 2nr2 s ILE 44 CO 0.00 0.38 0.15 0.12 -1.23 0.00 0.00 174.94 174.37 2nr2 s PHE 45 N -1.01 -0.13 -1.76 3.97 5.36 0.49 -0.45 117.98 124.46 2nr2 s PHE 45 Ca 0.17 0.37 -0.21 0.00 -0.96 0.00 0.00 56.93 56.30 2nr2 s PHE 45 Cb -0.11 -0.36 0.20 0.00 -0.34 0.00 0.00 43.02 42.41 2nr2 s PHE 45 CO 0.08 -0.37 0.66 0.00 -1.46 0.00 0.00 175.22 174.13 2nr2 n ALA 46 N 5.32 -1.21 0.00 11.12 0.00 -1.26 -1.05 120.51 133.42 2nr2 n ALA 46 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2nr2 n ALA 46 Cb 0.50 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 -1.17 3.18 3.72 0.00 0.00 -1.26 -5.03 105.19 104.62 2nr2 n GLY 47 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.40 4.52 -0.03 1.61 -0.14 -0.22 -5.03 119.74 120.05 2nr2 s LYS 48 Ca 0.00 1.58 -0.17 0.00 -1.36 0.00 0.00 55.97 56.02 2nr2 s LYS 48 Cb 0.00 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.70 2nr2 s LYS 48 CO 0.00 -0.10 0.48 -1.14 -0.76 0.00 0.00 175.35 173.83 2nr2 s GLN 49 N 0.82 4.17 -0.01 1.68 0.74 -1.26 -0.38 119.66 125.42 2nr2 s GLN 49 Ca 0.54 0.51 -0.07 0.00 0.05 0.00 0.00 55.36 56.40 2nr2 s GLN 49 Cb -0.25 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 2nr2 s GLN 49 CO 0.29 0.45 0.25 -0.51 -0.55 0.00 0.00 175.29 175.22 2nr2 s LEU 50 N -0.34 4.38 0.26 3.68 1.43 -0.89 -4.99 118.68 122.20 2nr2 s LEU 50 Ca 0.26 0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 53.75 2nr2 s LEU 50 Cb -0.17 -2.60 -0.08 0.00 0.03 0.00 0.00 46.19 43.37 2nr2 s LEU 50 CO 0.14 0.27 0.70 -1.61 0.23 0.00 0.00 176.35 176.08 2nr2 s GLU 51 N -1.67 4.09 0.05 1.70 2.02 -1.26 -4.81 118.70 118.82 2nr2 s GLU 51 Ca 0.26 0.71 -0.21 0.00 0.02 0.00 0.00 54.97 55.75 2nr2 s GLU 51 Cb -0.13 -2.67 -0.10 0.00 0.10 0.00 0.00 34.13 31.33 2nr2 s GLU 51 CO 0.15 0.29 1.32 -0.44 0.02 0.00 0.00 175.26 176.60 2nr2 h ASP 52 N 2.86 -0.78 -0.15 -0.19 3.32 -1.98 -3.17 116.42 116.31 2nr2 h ASP 52 Ca -0.48 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 2nr2 h ASP 52 Cb 1.18 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 2nr2 h ASP 52 CO 0.66 -0.41 0.03 0.61 -1.72 0.00 0.00 179.24 178.41 2nr2 n GLY 53 N -1.34 1.99 3.88 2.75 0.00 -1.26 -1.44 105.19 109.77 2nr2 n GLY 53 Ca -0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.26 3.71 0.28 1.61 0.52 -1.20 -4.95 118.95 117.67 2nr2 s ARG 54 Ca 0.12 0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 55.75 2nr2 s ARG 54 Cb 0.10 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 2nr2 s ARG 54 CO 0.03 -0.10 0.48 0.95 0.02 0.00 0.00 175.30 176.68 2nr2 s THR 55 N -2.50 5.14 0.41 0.02 -4.23 -1.26 -2.09 115.64 111.13 2nr2 s THR 55 Ca 0.50 -0.41 0.10 0.00 -1.18 0.00 0.00 61.69 60.71 2nr2 s THR 55 Cb -0.10 -3.80 0.18 0.00 1.34 0.00 0.00 72.50 70.12 2nr2 s THR 55 CO 0.36 -0.38 1.96 -0.07 -0.54 0.00 0.00 174.62 175.95 2nr2 h LEU 56 N 1.33 0.20 -0.52 4.79 3.38 -1.40 -2.69 115.31 120.40 2nr2 h LEU 56 Ca -0.49 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 2nr2 h LEU 56 Cb 1.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2nr2 h LEU 56 CO 0.64 0.32 -0.15 -1.28 0.09 0.00 0.00 178.44 178.06 2nr2 h SER 57 N 0.22 1.02 -0.54 -0.43 0.87 -1.19 -2.19 113.55 111.31 2nr2 h SER 57 Ca 0.05 -0.37 0.10 0.00 -1.23 0.00 0.00 61.79 60.34 2nr2 h SER 57 Cb 0.29 -0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 61.86 2nr2 h SER 57 CO 0.01 1.16 -0.31 0.44 -0.53 0.00 0.00 176.83 177.61 2nr2 h ASP 58 N 0.88 -1.06 -0.48 6.23 3.32 -1.77 -2.19 116.42 121.35 2nr2 h ASP 58 Ca 0.13 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2nr2 h ASP 58 Cb 0.72 0.53 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2nr2 h ASP 58 CO 0.06 -0.30 0.31 1.88 -1.72 0.00 0.00 179.24 179.47 2nr2 h TYR 59 N -0.16 0.62 -1.22 4.55 0.05 -1.39 -3.47 116.97 115.94 2nr2 h TYR 59 Ca 0.23 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.02 2nr2 h TYR 59 Cb 0.54 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2nr2 h TYR 59 CO -0.59 0.40 0.00 0.09 -1.05 0.00 0.00 178.16 177.01 2nr2 n ASN 60 N -4.45 -0.82 -4.37 3.88 3.02 -0.82 -5.06 115.26 106.64 2nr2 n ASN 60 Ca 0.04 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 2nr2 n ASN 60 Cb 0.06 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.41 3.90 0.58 2.41 1.01 -0.87 -5.05 121.20 120.78 2nr2 s ILE 61 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.28 2nr2 s ILE 61 Cb 0.00 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.68 2nr2 s ILE 61 CO 0.00 0.26 0.77 0.00 0.00 0.00 0.00 174.94 175.98 2nr2 n GLN 62 N 4.86 0.61 -1.66 2.79 10.64 -1.26 -4.71 117.38 128.66 2nr2 n GLN 62 Ca -0.16 -3.14 -0.37 0.00 -1.83 0.00 0.00 57.00 51.49 2nr2 n GLN 62 Cb 0.50 -0.19 0.06 0.00 -0.86 0.00 0.00 30.24 29.74 2nr2 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2nr2 n LYS 63 N -2.23 0.99 -2.01 2.61 2.85 -1.26 -3.42 118.16 115.69 2nr2 n LYS 63 Ca 0.15 0.39 -0.16 0.00 -1.05 0.00 0.00 58.31 57.63 2nr2 n LYS 63 Cb 0.60 -2.31 -0.03 0.00 -0.65 0.00 0.00 35.03 32.64 2nr2 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2nr2 n GLU 64 N -1.33 -1.26 -2.83 -1.58 1.02 0.84 -4.95 120.64 110.55 2nr2 n GLU 64 Ca 0.14 0.90 -0.40 0.00 -0.02 0.00 0.00 57.16 57.78 2nr2 n GLU 64 Cb 0.47 -5.24 -0.05 0.00 -0.02 0.00 0.00 31.44 26.60 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 -2.46 7.46 -0.36 1.62 0.01 -1.22 -4.76 113.70 113.98 2nr2 s SER 65 Ca 0.00 1.74 -0.12 0.00 1.31 0.00 0.00 55.95 58.87 2nr2 s SER 65 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2nr2 s SER 65 CO 0.00 0.06 0.23 -0.89 0.41 0.00 0.00 173.24 173.05 2nr2 s THR 66 N -0.52 4.97 0.19 1.44 2.01 -1.26 -1.91 115.64 120.56 2nr2 s THR 66 Ca 0.42 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.92 2nr2 s THR 66 Cb -0.23 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2nr2 s THR 66 CO 0.28 -0.13 0.23 -0.76 -0.69 0.00 0.00 174.62 173.55 2nr2 s LEU 67 N 1.65 4.05 0.01 4.42 1.02 -0.29 -4.74 118.68 124.81 2nr2 s LEU 67 Ca 0.04 -0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.21 2nr2 s LEU 67 Cb -0.18 -2.62 -0.03 0.00 0.02 0.00 0.00 46.19 43.37 2nr2 s LEU 67 CO 0.09 0.02 -0.13 -1.00 0.02 0.00 0.00 176.35 175.34 2nr2 s HIS 68 N -1.87 2.70 -0.28 0.29 3.76 0.41 -0.85 115.29 119.45 2nr2 s HIS 68 Ca 0.33 -0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.06 2nr2 s HIS 68 Cb -0.10 -1.54 0.04 0.00 1.11 0.00 0.00 32.58 32.10 2nr2 s HIS 68 CO 0.26 0.29 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.24 2nr2 s LEU 69 N -1.33 3.62 -0.22 0.89 2.96 -0.46 -0.76 118.68 123.37 2nr2 s LEU 69 Ca 0.15 -1.15 -0.08 0.00 -0.22 0.00 0.00 54.13 52.82 2nr2 s LEU 69 Cb -0.11 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2nr2 s LEU 69 CO 0.05 -0.21 0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 2nr2 s VAL 70 N 1.26 4.83 0.08 1.68 1.01 0.33 -3.56 120.40 126.03 2nr2 s VAL 70 Ca -0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2nr2 s VAL 70 Cb -0.19 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2nr2 s VAL 70 CO -0.03 0.38 1.06 -0.22 0.00 0.00 0.00 175.10 176.30 2nr2 s LEU 71 N 0.97 4.42 -0.51 3.92 2.96 -1.26 -0.02 118.68 129.15 2nr2 s LEU 71 Ca 0.05 1.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.84 2nr2 s LEU 71 Cb -0.14 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 43.10 2nr2 s LEU 71 CO 0.03 -0.27 0.27 -0.60 -1.32 0.00 0.00 176.35 174.47 2nr2 s ARG 72 N 0.52 2.07 0.90 1.98 6.06 0.70 -4.89 118.95 126.29 2nr2 s ARG 72 Ca 0.52 -2.39 -0.15 0.00 -2.50 0.00 0.00 55.73 51.22 2nr2 s ARG 72 Cb -0.25 -3.45 0.21 0.00 0.06 0.00 0.00 34.95 31.51 2nr2 s ARG 72 CO 0.30 -1.10 1.23 1.28 -2.50 0.00 0.00 175.30 174.51 2nr2 n LEU 73 N 3.57 0.00 -0.07 -0.88 4.77 -1.26 -4.15 117.00 118.97 2nr2 n LEU 73 Ca 0.05 -1.39 -0.13 0.00 -0.03 0.00 0.00 56.01 54.51 2nr2 n LEU 73 Cb 0.36 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 2nr2 n LEU 73 CO 0.32 -1.37 0.59 0.03 -1.33 0.00 0.00 177.39 175.64 2nr2 h ARG 74 N 0.00 0.52 -1.07 3.23 3.08 -1.99 -3.40 114.38 114.75 2nr2 h ARG 74 Ca -0.40 -0.27 -0.40 0.00 0.07 0.00 0.00 59.98 58.98 2nr2 h ARG 74 Cb 1.11 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 30.76 2nr2 h ARG 74 CO 0.29 0.85 -1.10 0.41 -1.07 0.00 0.00 179.97 179.34 2nr2 n GLY 75 N 0.16 2.44 0.00 0.04 0.00 -1.26 -5.29 105.19 101.29 2nr2 n GLY 75 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93