#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 4.36 0.11 3.17 0.74 -1.26 -0.94 119.66 125.84 2nr2 s GLN 2 Ca 0.00 1.52 0.06 0.00 0.05 0.00 0.00 55.36 56.99 2nr2 s GLN 2 Cb 0.00 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 2nr2 s GLN 2 CO 0.00 -0.43 -0.16 0.96 -0.55 0.00 0.00 175.29 175.11 2nr2 s ILE 3 N 2.34 1.40 -0.11 -2.34 -4.36 -0.68 0.98 121.20 118.43 2nr2 s ILE 3 Ca 0.51 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 59.29 2nr2 s ILE 3 Cb -0.21 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 2nr2 s ILE 3 CO 0.18 -0.31 -0.20 -0.36 0.24 0.00 0.00 174.94 174.49 2nr2 s PHE 4 N -1.81 2.65 -0.30 1.37 0.08 -0.64 -0.39 117.98 118.94 2nr2 s PHE 4 Ca 0.07 -0.86 -0.03 0.00 0.12 0.00 0.00 56.93 56.24 2nr2 s PHE 4 Cb -0.07 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2nr2 s PHE 4 CO 0.03 -0.32 0.01 0.08 -0.10 0.00 0.00 175.22 174.93 2nr2 s VAL 5 N 0.29 3.17 -0.09 -0.44 1.01 0.50 0.51 120.40 125.36 2nr2 s VAL 5 Ca -0.14 -1.24 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 2nr2 s VAL 5 Cb -0.17 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2nr2 s VAL 5 CO 0.07 -0.06 0.42 -0.54 0.00 0.00 0.00 175.10 175.00 2nr2 s LYS 6 N 1.31 4.18 0.27 2.72 1.02 0.11 -0.65 119.74 128.71 2nr2 s LYS 6 Ca -0.03 0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.39 2nr2 s LYS 6 Cb -0.19 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2nr2 s LYS 6 CO -0.01 0.35 0.33 0.95 -0.92 0.00 0.00 175.35 176.05 2nr2 s THR 7 N 0.02 4.64 0.09 2.17 -4.23 -1.14 0.36 115.64 117.54 2nr2 s THR 7 Ca 0.23 -1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 2nr2 s THR 7 Cb -0.15 -3.58 -0.26 0.00 1.34 0.00 0.00 72.50 69.85 2nr2 s THR 7 CO 0.10 -0.29 1.18 0.25 -0.54 0.00 0.00 174.62 175.32 2nr2 h LEU 8 N 1.22 0.50 0.69 4.79 5.85 -1.89 -3.41 115.31 123.06 2nr2 h LEU 8 Ca -0.49 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 57.70 2nr2 h LEU 8 Cb 1.24 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.12 2nr2 h LEU 8 CO 0.59 1.35 -0.33 0.74 -0.34 0.00 0.00 178.44 180.45 2nr2 h THR 9 N 0.13 0.18 0.00 1.05 2.02 -1.96 -3.48 112.91 110.85 2nr2 h THR 9 Ca -0.13 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2nr2 h THR 9 Cb 1.88 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2nr2 h THR 9 CO 0.20 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.72 2nr2 n GLY 10 N -0.93 -1.74 3.85 2.16 0.00 -1.26 -5.19 105.19 102.08 2nr2 n GLY 10 Ca -0.13 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 2nr2 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nr2 s LYS 11 N -0.08 2.41 -0.20 1.61 -2.85 -1.26 -4.83 119.74 114.54 2nr2 s LYS 11 Ca 0.00 0.48 -0.01 0.00 -1.00 0.00 0.00 55.97 55.44 2nr2 s LYS 11 Cb 0.00 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2nr2 s LYS 11 CO 0.00 -1.36 -0.12 0.99 0.10 0.00 0.00 175.35 174.96 2nr2 s THR 12 N -3.30 2.77 -0.51 3.79 2.01 -1.26 -2.88 115.64 116.26 2nr2 s THR 12 Ca 0.60 -0.70 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 2nr2 s THR 12 Cb -0.12 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.21 2nr2 s THR 12 CO 0.52 0.48 0.80 -0.63 -0.69 0.00 0.00 174.62 175.11 2nr2 s ILE 13 N 1.33 4.60 -0.71 1.82 1.01 0.18 -4.86 121.20 124.57 2nr2 s ILE 13 Ca 0.04 0.11 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 2nr2 s ILE 13 Cb -0.14 -4.40 0.04 0.00 0.01 0.00 0.00 42.46 37.97 2nr2 s ILE 13 CO -0.07 -0.91 1.18 -0.89 0.00 0.00 0.00 174.94 174.26 2nr2 s THR 14 N 3.38 3.91 0.36 2.92 2.01 -1.26 -0.37 115.64 126.59 2nr2 s THR 14 Ca 0.26 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 2nr2 s THR 14 Cb -0.14 -4.85 -0.06 0.00 0.01 0.00 0.00 72.50 67.46 2nr2 s THR 14 CO 0.18 -1.73 0.70 -0.76 -0.69 0.00 0.00 174.62 172.32 2nr2 s LEU 15 N 5.21 3.91 -0.32 4.42 1.43 0.47 -4.92 118.68 128.89 2nr2 s LEU 15 Ca 0.31 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 54.31 2nr2 s LEU 15 Cb -0.11 -3.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 2nr2 s LEU 15 CO 0.13 -0.33 0.16 -0.70 0.23 0.00 0.00 176.35 175.85 2nr2 s GLU 16 N -3.72 3.26 0.51 1.70 2.12 -1.26 -1.69 118.70 119.62 2nr2 s GLU 16 Ca 0.49 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 55.07 2nr2 s GLU 16 Cb -0.10 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2nr2 s GLU 16 CO 0.30 -0.46 0.10 0.14 -0.54 0.00 0.00 175.26 174.80 2nr2 s VAL 17 N 1.61 1.39 0.22 3.70 -7.23 -0.12 -4.92 120.40 115.04 2nr2 s VAL 17 Ca 0.04 -1.87 0.10 0.00 -1.81 0.00 0.00 61.98 58.44 2nr2 s VAL 17 Cb -0.17 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2nr2 s VAL 17 CO 0.06 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.05 2nr2 s GLU 18 N -3.96 2.00 0.00 4.82 2.56 -1.26 -0.46 118.70 122.40 2nr2 s GLU 18 Ca 0.16 -1.41 0.27 0.00 0.00 0.00 0.00 54.97 53.99 2nr2 s GLU 18 Cb 0.01 -2.06 1.21 0.00 2.00 0.00 0.00 34.13 35.29 2nr2 s GLU 18 CO 0.09 0.40 1.88 -0.35 -0.56 0.00 0.00 175.26 176.72 2nr2 n PRO 19 N -0.27 0.08 0.00 4.30 -0.04 -1.26 -1.78 135.00 136.04 2nr2 n PRO 19 Ca -0.09 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.54 2nr2 n PRO 19 Cb 0.57 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.11 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 -1.45 0.08 -4.77 3.54 3.41 -1.26 -1.02 113.62 112.15 2nr2 n SER 20 Ca 0.08 0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 58.63 2nr2 n SER 20 Cb 0.30 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.97 6.51 0.79 4.04 1.01 -0.73 -4.82 116.67 120.50 2nr2 s ASP 21 Ca 0.15 2.62 -0.11 0.00 0.71 0.00 0.00 52.55 55.92 2nr2 s ASP 21 Cb 0.19 -2.64 0.08 0.00 1.01 0.00 0.00 42.92 41.56 2nr2 s ASP 21 CO 0.55 -0.71 1.15 0.42 0.21 0.00 0.00 175.17 176.78 2nr2 s THR 22 N -1.24 2.07 0.38 -1.27 -4.23 -1.26 -2.15 115.64 107.93 2nr2 s THR 22 Ca 0.54 -0.07 0.23 0.00 -1.18 0.00 0.00 61.69 61.21 2nr2 s THR 22 Cb -0.38 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.70 2nr2 s THR 22 CO 0.49 0.00 1.99 0.40 -0.54 0.00 0.00 174.62 176.96 2nr2 h ILE 23 N -0.97 0.75 -0.12 2.99 1.08 -1.04 -2.26 117.51 117.95 2nr2 h ILE 23 Ca -0.46 -0.75 -0.14 0.00 -0.39 0.00 0.00 64.86 63.12 2nr2 h ILE 23 Cb 1.32 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.52 2nr2 h ILE 23 CO 0.63 0.18 -0.54 -0.08 -0.69 0.00 0.00 178.15 177.66 2nr2 h GLU 24 N 0.00 0.35 -0.42 2.37 4.81 -1.37 -1.69 114.58 118.63 2nr2 h GLU 24 Ca -0.00 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 2nr2 h GLU 24 Cb 0.44 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2nr2 h GLU 24 CO 0.02 0.80 0.01 -0.91 -0.73 0.00 0.00 179.01 178.20 2nr2 h ASN 25 N 0.27 0.71 -0.48 1.04 2.35 -1.81 -0.20 115.58 117.46 2nr2 h ASN 25 Ca 0.01 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2nr2 h ASN 25 Cb 1.03 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2nr2 h ASN 25 CO 0.09 0.83 0.31 0.58 -1.65 0.00 0.00 177.43 177.59 2nr2 h VAL 26 N 0.56 1.13 -0.34 2.81 2.07 -1.25 -2.29 116.25 118.95 2nr2 h VAL 26 Ca 0.12 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2nr2 h VAL 26 Cb 0.46 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2nr2 h VAL 26 CO 0.02 0.13 -0.20 0.11 0.02 0.00 0.00 177.57 177.65 2nr2 h LYS 27 N 0.64 0.63 -0.06 1.57 1.57 -1.33 -2.89 116.57 116.71 2nr2 h LYS 27 Ca 0.17 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2nr2 h LYS 27 Cb -0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2nr2 h LYS 27 CO -0.04 0.79 0.08 0.00 -0.57 0.00 0.00 179.45 179.72 2nr2 h ALA 28 N 1.22 1.60 0.27 3.86 0.00 -0.74 -1.43 119.26 124.04 2nr2 h ALA 28 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2nr2 h ALA 28 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2nr2 h ALA 28 CO 0.05 -0.11 -0.13 0.87 0.00 0.00 0.00 179.25 179.92 2nr2 h LYS 29 N 0.00 -0.35 -0.56 0.00 1.57 -1.20 -3.33 116.57 112.71 2nr2 h LYS 29 Ca 0.03 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2nr2 h LYS 29 Cb 0.19 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 2nr2 h LYS 29 CO -0.00 -0.00 0.12 0.82 -0.57 0.00 0.00 179.45 179.82 2nr2 h ILE 30 N -0.85 0.68 -0.96 1.86 2.04 -1.55 -3.09 117.51 115.63 2nr2 h ILE 30 Ca -0.04 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 65.94 2nr2 h ILE 30 Cb 0.51 0.40 -0.11 0.00 -0.74 0.00 0.00 36.82 36.88 2nr2 h ILE 30 CO 0.06 0.05 0.55 -0.61 0.00 0.00 0.00 178.15 178.19 2nr2 h GLN 31 N 0.25 0.61 -0.39 2.37 4.15 -1.34 0.50 115.11 121.27 2nr2 h GLN 31 Ca 0.29 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 2nr2 h GLN 31 Cb 0.40 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2nr2 h GLN 31 CO -0.37 0.40 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.47 2nr2 h ASP 32 N 0.63 0.70 -0.00 -0.69 3.32 -1.65 -0.78 116.42 117.95 2nr2 h ASP 32 Ca 0.58 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 2nr2 h ASP 32 Cb 0.99 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2nr2 h ASP 32 CO -0.43 0.86 -0.00 0.11 -1.72 0.00 0.00 179.24 178.05 2nr2 h LYS 33 N 0.53 0.00 0.00 3.56 1.57 -1.12 -3.36 116.57 117.75 2nr2 h LYS 33 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2nr2 h LYS 33 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2nr2 h LYS 33 CO 0.03 0.51 0.00 0.39 -0.57 0.00 0.00 179.45 179.81 2nr2 n GLU 34 N -4.84 0.88 -0.82 3.15 -0.58 0.16 -5.01 120.64 113.58 2nr2 n GLU 34 Ca -0.09 -0.96 0.00 0.00 -0.42 0.00 0.00 57.16 55.69 2nr2 n GLU 34 Cb 0.26 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 -0.23 0.62 3.61 0.62 0.00 -0.30 -4.96 105.19 104.54 2nr2 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.84 4.76 0.96 -0.61 1.01 -1.25 -4.96 121.20 118.26 2nr2 s ILE 36 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 2nr2 s ILE 36 Cb 0.00 -4.18 0.17 0.00 0.01 0.00 0.00 42.46 38.46 2nr2 s ILE 36 CO 0.00 -0.32 1.09 -2.16 0.00 0.00 0.00 174.94 173.55 2nr2 s PRO 37 N 3.05 0.68 0.33 2.79 0.04 -1.26 -3.72 135.00 136.91 2nr2 s PRO 37 Ca 0.33 0.95 0.25 0.00 0.04 0.00 0.00 61.00 62.56 2nr2 s PRO 37 Cb -0.14 -1.73 0.61 0.00 0.04 0.00 0.00 34.50 33.28 2nr2 s PRO 37 CO 0.14 -2.67 1.70 -1.35 0.04 0.00 0.00 177.00 174.86 2nr2 h PRO 38 N -1.87 0.00 0.00 0.56 0.11 -1.95 -2.76 132.00 126.09 2nr2 h PRO 38 Ca -0.51 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2nr2 h PRO 38 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2nr2 h PRO 38 CO 0.51 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.58 2nr2 h ASP 39 N 0.00 0.00 -0.57 -2.05 3.32 -2.00 -3.24 116.42 111.89 2nr2 h ASP 39 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2nr2 h ASP 39 Cb 0.84 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.30 2nr2 h ASP 39 CO 0.00 0.28 0.15 0.00 -1.72 0.00 0.00 179.24 177.95 2nr2 n GLN 40 N -3.84 3.27 -4.04 3.56 6.02 -1.04 -4.90 117.38 116.41 2nr2 n GLN 40 Ca -0.01 -3.05 -0.31 0.00 -0.01 0.00 0.00 57.00 53.61 2nr2 n GLN 40 Cb 0.37 -2.07 -0.16 0.00 1.02 0.00 0.00 30.24 29.39 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 -3.00 2.39 -0.20 -1.09 -0.21 -1.22 -1.50 119.66 114.82 2nr2 s GLN 41 Ca 0.51 -0.67 -0.02 0.00 0.02 0.00 0.00 55.36 55.19 2nr2 s GLN 41 Cb 0.41 -2.26 -0.00 0.00 1.00 0.00 0.00 33.01 32.16 2nr2 s GLN 41 CO 0.10 -0.27 -0.09 1.03 -2.12 0.00 0.00 175.29 173.95 2nr2 s ARG 42 N 1.43 3.29 -0.20 2.91 0.52 -0.92 -5.01 118.95 120.97 2nr2 s ARG 42 Ca 0.04 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.50 2nr2 s ARG 42 Cb -0.13 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 2nr2 s ARG 42 CO -0.11 -0.17 0.07 -0.51 0.02 0.00 0.00 175.30 174.60 2nr2 s LEU 43 N 1.35 3.69 -0.03 2.53 1.43 -1.26 -0.77 118.68 125.61 2nr2 s LEU 43 Ca 0.04 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2nr2 s LEU 43 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2nr2 s LEU 43 CO -0.05 0.10 -0.21 -0.63 0.23 0.00 0.00 176.35 175.79 2nr2 s ILE 44 N 0.79 2.47 -0.18 -0.59 -1.09 -0.31 -1.50 121.20 120.80 2nr2 s ILE 44 Ca 0.03 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.36 2nr2 s ILE 44 Cb -0.14 -1.92 0.06 0.00 -1.58 0.00 0.00 42.46 38.89 2nr2 s ILE 44 CO 0.02 0.57 0.45 0.12 -1.23 0.00 0.00 174.94 174.86 2nr2 s PHE 45 N -0.68 -0.62 -1.51 3.97 5.36 -1.05 -1.16 117.98 122.29 2nr2 s PHE 45 Ca 0.11 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 2nr2 s PHE 45 Cb -0.10 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 2nr2 s PHE 45 CO -0.00 -0.33 0.00 0.00 -1.46 0.00 0.00 175.22 173.43 2nr2 n ALA 46 N 3.90 -0.27 -0.70 11.12 0.00 -1.26 -2.18 120.51 131.13 2nr2 n ALA 46 Ca -0.20 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2nr2 n ALA 46 Cb 0.56 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.13 1.38 3.82 0.00 0.00 -1.26 -5.04 105.19 102.95 2nr2 n GLY 47 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.08 3.56 0.04 1.61 1.02 -0.92 -5.08 119.74 119.88 2nr2 s LYS 48 Ca 0.00 -0.19 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 2nr2 s LYS 48 Cb 0.00 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 34.06 2nr2 s LYS 48 CO 0.00 0.65 1.37 -1.14 -0.92 0.00 0.00 175.35 175.32 2nr2 s GLN 49 N -0.68 4.31 0.14 1.68 0.74 -1.26 -2.53 119.66 122.06 2nr2 s GLN 49 Ca 0.13 1.97 -0.28 0.00 0.05 0.00 0.00 55.36 57.23 2nr2 s GLN 49 Cb -0.12 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.47 2nr2 s GLN 49 CO 0.02 -0.50 0.89 -0.51 -0.55 0.00 0.00 175.29 174.64 2nr2 s LEU 50 N 1.87 4.54 0.21 3.68 1.43 -0.56 -5.02 118.68 124.84 2nr2 s LEU 50 Ca 0.63 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 55.28 2nr2 s LEU 50 Cb -0.33 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.34 2nr2 s LEU 50 CO 0.28 0.05 0.72 -0.70 0.23 0.00 0.00 176.35 176.93 2nr2 s GLU 51 N -0.51 4.27 0.12 1.70 2.12 -1.26 -4.70 118.70 120.44 2nr2 s GLU 51 Ca 0.42 0.88 -0.15 0.00 0.36 0.00 0.00 54.97 56.48 2nr2 s GLU 51 Cb -0.23 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 2nr2 s GLU 51 CO 0.28 0.41 1.53 -0.44 -0.54 0.00 0.00 175.26 176.51 2nr2 h ASP 52 N 3.50 0.71 -0.01 -1.70 5.19 -1.97 -2.69 116.42 119.46 2nr2 h ASP 52 Ca -0.48 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 55.58 2nr2 h ASP 52 Cb 1.19 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2nr2 h ASP 52 CO 0.65 0.89 0.00 0.61 -3.12 0.00 0.00 179.24 178.28 2nr2 n GLY 53 N -0.23 -0.96 3.88 2.75 0.00 -1.26 -1.08 105.19 108.29 2nr2 n GLY 53 Ca -0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.99 3.28 0.79 1.61 0.52 -1.01 -4.95 118.95 117.20 2nr2 s ARG 54 Ca 0.06 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 2nr2 s ARG 54 Cb 0.03 -2.96 0.08 0.00 0.52 0.00 0.00 34.95 32.63 2nr2 s ARG 54 CO 0.05 0.60 1.14 0.95 0.02 0.00 0.00 175.30 178.06 2nr2 s THR 55 N -1.45 2.08 0.22 0.02 -4.23 -1.26 -1.38 115.64 109.64 2nr2 s THR 55 Ca 0.32 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2nr2 s THR 55 Cb -0.13 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.76 2nr2 s THR 55 CO 0.25 0.00 1.64 -0.07 -0.54 0.00 0.00 174.62 175.90 2nr2 h LEU 56 N -0.96 0.73 -0.65 4.79 3.38 -1.32 -3.26 115.31 118.02 2nr2 h LEU 56 Ca -0.45 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.27 2nr2 h LEU 56 Cb 1.32 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2nr2 h LEU 56 CO 0.62 0.95 0.42 -1.28 0.09 0.00 0.00 178.44 179.24 2nr2 h SER 57 N 0.63 0.71 -0.51 -0.43 0.87 -1.30 -0.08 113.55 113.44 2nr2 h SER 57 Ca 0.09 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2nr2 h SER 57 Cb 0.73 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2nr2 h SER 57 CO 0.06 0.51 0.31 0.44 -0.53 0.00 0.00 176.83 177.62 2nr2 h ASP 58 N 0.85 0.62 0.61 6.23 3.32 -1.85 -1.72 116.42 124.47 2nr2 h ASP 58 Ca 0.25 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2nr2 h ASP 58 Cb -0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2nr2 h ASP 58 CO -0.08 0.49 0.00 -1.22 -1.72 0.00 0.00 179.24 176.71 2nr2 n TYR 59 N -4.69 0.00 -2.82 4.55 4.01 -1.12 -4.93 117.16 112.16 2nr2 n TYR 59 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 2nr2 n TYR 59 Cb 0.05 -0.34 0.03 0.00 -0.31 0.00 0.00 39.34 38.77 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 -1.34 -4.21 -4.59 7.72 4.13 -0.65 -5.00 115.26 111.32 2nr2 n ASN 60 Ca 0.11 -0.21 -0.42 0.00 1.68 0.00 0.00 54.58 55.74 2nr2 n ASN 60 Cb 0.24 -2.99 -0.04 0.00 -1.54 0.00 0.00 39.78 35.44 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2nr2 s ILE 61 N -2.99 4.62 0.23 2.41 1.01 -0.10 -5.01 121.20 121.38 2nr2 s ILE 61 Ca 0.22 1.05 0.03 0.00 0.00 0.00 0.00 60.65 61.95 2nr2 s ILE 61 Cb -0.10 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.10 2nr2 s ILE 61 CO 0.27 -0.53 0.27 0.00 0.00 0.00 0.00 174.94 174.95 2nr2 n GLN 62 N 6.69 0.96 -1.59 2.79 6.02 -1.26 -4.46 117.38 126.52 2nr2 n GLN 62 Ca 0.06 -1.32 -0.39 0.00 -0.01 0.00 0.00 57.00 55.33 2nr2 n GLN 62 Cb 0.48 -0.01 0.04 0.00 1.02 0.00 0.00 30.24 31.77 2nr2 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2nr2 n LYS 63 N -1.34 1.02 -2.90 -1.09 2.85 -1.26 -3.64 118.16 111.80 2nr2 n LYS 63 Ca 0.04 0.38 -0.21 0.00 -1.05 0.00 0.00 58.31 57.47 2nr2 n LYS 63 Cb 0.25 -2.06 0.01 0.00 -0.65 0.00 0.00 35.03 32.58 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 -0.44 -3.57 -4.01 -1.58 1.02 0.27 -4.99 120.64 107.35 2nr2 n GLU 64 Ca 0.12 0.78 -0.31 0.00 -0.02 0.00 0.00 57.16 57.72 2nr2 n GLU 64 Cb 0.44 -5.53 -0.06 0.00 -0.02 0.00 0.00 31.44 26.28 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 -2.48 5.82 -0.36 1.62 0.01 -1.24 -4.91 113.70 112.16 2nr2 s SER 65 Ca 0.22 0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 2nr2 s SER 65 Cb -0.11 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.47 2nr2 s SER 65 CO 0.28 0.19 0.20 -0.89 0.41 0.00 0.00 173.24 173.43 2nr2 s THR 66 N -1.39 4.71 0.07 1.44 2.01 -1.26 -1.61 115.64 119.61 2nr2 s THR 66 Ca 0.30 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 2nr2 s THR 66 Cb -0.12 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 2nr2 s THR 66 CO 0.22 -0.14 0.53 -0.76 -0.69 0.00 0.00 174.62 173.78 2nr2 s LEU 67 N 1.60 4.49 -0.26 4.42 1.43 0.18 -4.79 118.68 125.74 2nr2 s LEU 67 Ca 0.03 1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 54.24 2nr2 s LEU 67 Cb -0.18 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 2nr2 s LEU 67 CO 0.07 0.26 0.07 -1.00 0.23 0.00 0.00 176.35 175.98 2nr2 s HIS 68 N -1.16 3.10 -0.23 0.29 3.76 -0.31 0.08 115.29 120.83 2nr2 s HIS 68 Ca 0.29 -0.66 -0.22 0.00 -0.15 0.00 0.00 55.06 54.33 2nr2 s HIS 68 Cb -0.18 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 2nr2 s HIS 68 CO 0.18 -0.45 0.69 -1.17 -0.85 0.00 0.00 174.74 173.14 2nr2 s LEU 69 N 1.57 4.10 -0.13 0.89 2.96 0.16 -1.16 118.68 127.06 2nr2 s LEU 69 Ca 0.05 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 54.78 2nr2 s LEU 69 Cb -0.16 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 2nr2 s LEU 69 CO 0.03 -0.37 0.03 -0.69 -1.32 0.00 0.00 176.35 174.02 2nr2 s VAL 70 N 2.35 4.49 0.32 1.68 1.01 0.05 -4.30 120.40 126.00 2nr2 s VAL 70 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2nr2 s VAL 70 Cb -0.16 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2nr2 s VAL 70 CO 0.09 0.55 0.54 -0.22 0.00 0.00 0.00 175.10 176.06 2nr2 s LEU 71 N -0.34 4.03 0.36 3.92 1.98 -1.26 -2.15 118.68 125.22 2nr2 s LEU 71 Ca 0.08 0.55 0.03 0.00 -2.89 0.00 0.00 54.13 51.90 2nr2 s LEU 71 Cb -0.12 -3.39 -0.04 0.00 0.66 0.00 0.00 46.19 43.30 2nr2 s LEU 71 CO 0.02 -0.25 0.10 -0.60 -1.89 0.00 0.00 176.35 173.73 2nr2 s ARG 72 N -3.99 1.77 0.21 1.98 3.52 -0.56 -4.91 118.95 116.97 2nr2 s ARG 72 Ca 0.41 -2.04 0.06 0.00 -0.13 0.00 0.00 55.73 54.04 2nr2 s ARG 72 Cb -0.10 -0.65 -0.04 0.00 -1.56 0.00 0.00 34.95 32.60 2nr2 s ARG 72 CO 0.34 -0.36 0.17 -0.51 -0.81 0.00 0.00 175.30 174.13 2nr2 s LEU 73 N -3.53 3.81 -0.76 -0.88 1.43 -1.26 -4.82 118.68 112.67 2nr2 s LEU 73 Ca 0.30 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.94 2nr2 s LEU 73 Cb 0.05 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 2nr2 s LEU 73 CO 0.15 0.01 2.09 -0.60 0.23 0.00 0.00 176.35 178.23 2nr2 s ARG 74 N -3.52 2.29 0.00 1.70 3.52 -1.26 -4.11 118.95 117.57 2nr2 s ARG 74 Ca 0.32 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 2nr2 s ARG 74 Cb -0.09 -4.78 0.00 0.00 -1.56 0.00 0.00 34.95 28.52 2nr2 s ARG 74 CO 0.24 -3.46 0.00 0.41 -0.81 0.00 0.00 175.30 171.68 2nr2 n GLY 75 N 6.47 -0.71 0.00 8.12 0.00 -1.26 -5.23 105.19 112.58 2nr2 n GLY 75 Ca 0.37 -0.70 0.00 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