#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 3.90 0.35 3.17 0.74 -1.26 -2.34 119.66 124.21 2nr2 s GLN 2 Ca 0.00 -0.16 0.05 0.00 0.05 0.00 0.00 55.36 55.30 2nr2 s GLN 2 Cb 0.00 -3.69 -0.07 0.00 1.10 0.00 0.00 33.01 30.35 2nr2 s GLN 2 CO 0.00 -0.30 0.04 0.96 -0.55 0.00 0.00 175.29 175.43 2nr2 s ILE 3 N 1.97 1.46 0.18 -2.34 -4.36 0.53 0.91 121.20 119.55 2nr2 s ILE 3 Ca 0.12 -2.01 0.11 0.00 -0.26 0.00 0.00 60.65 58.61 2nr2 s ILE 3 Cb -0.16 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 2nr2 s ILE 3 CO 0.11 -0.02 -0.23 -0.36 0.24 0.00 0.00 174.94 174.67 2nr2 s PHE 4 N -3.11 2.22 -0.04 1.37 0.08 -0.04 -0.48 117.98 117.97 2nr2 s PHE 4 Ca 0.36 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.07 2nr2 s PHE 4 Cb 0.09 -1.11 -0.00 0.00 -0.57 0.00 0.00 43.02 41.43 2nr2 s PHE 4 CO 0.16 0.46 -0.18 0.08 -0.10 0.00 0.00 175.22 175.64 2nr2 s VAL 5 N -1.68 1.49 0.00 -0.44 1.01 -0.93 -0.13 120.40 119.73 2nr2 s VAL 5 Ca 0.19 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2nr2 s VAL 5 Cb -0.08 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2nr2 s VAL 5 CO 0.09 0.43 -0.14 -0.75 0.00 0.00 0.00 175.10 174.73 2nr2 s LYS 6 N 0.02 2.32 0.48 2.72 2.47 0.04 -0.91 119.74 126.90 2nr2 s LYS 6 Ca -0.04 -0.83 0.05 0.00 -1.56 0.00 0.00 55.97 53.59 2nr2 s LYS 6 Cb -0.12 -2.32 0.02 0.00 -1.46 0.00 0.00 37.83 33.95 2nr2 s LYS 6 CO 0.02 0.58 0.67 0.95 0.16 0.00 0.00 175.35 177.73 2nr2 s THR 7 N -0.89 2.83 0.20 3.43 -4.23 -0.92 -1.46 115.64 114.59 2nr2 s THR 7 Ca 0.14 -0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 2nr2 s THR 7 Cb -0.11 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.85 2nr2 s THR 7 CO 0.04 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 175.82 2nr2 h LEU 8 N 0.36 0.33 0.24 4.79 3.38 -1.93 -3.32 115.31 119.16 2nr2 h LEU 8 Ca -0.41 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2nr2 h LEU 8 Cb 1.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2nr2 h LEU 8 CO 0.48 0.21 -0.12 0.71 0.09 0.00 0.00 178.44 179.82 2nr2 h THR 9 N 0.48 0.39 0.00 0.22 1.35 -1.95 -3.48 112.91 109.92 2nr2 h THR 9 Ca 0.27 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2nr2 h THR 9 Cb 0.25 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2nr2 h THR 9 CO -0.22 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.76 2nr2 n GLY 10 N 0.70 -0.01 3.55 5.82 0.00 -1.25 -5.13 105.19 108.87 2nr2 n GLY 10 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 3.86 -0.22 1.61 2.20 -1.26 -4.86 119.74 121.06 2nr2 s LYS 11 Ca 0.00 -0.38 -0.15 0.00 -0.36 0.00 0.00 55.97 55.08 2nr2 s LYS 11 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2nr2 s LYS 11 CO 0.00 -0.08 0.35 0.99 -0.36 0.00 0.00 175.35 176.25 2nr2 s THR 12 N 1.38 5.23 -0.20 3.43 2.01 -1.26 -2.18 115.64 124.05 2nr2 s THR 12 Ca 0.06 0.59 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 2nr2 s THR 12 Cb -0.15 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2nr2 s THR 12 CO 0.06 0.26 0.12 -0.63 -0.69 0.00 0.00 174.62 173.74 2nr2 s ILE 13 N 1.35 5.33 -0.55 1.82 -1.09 -0.08 -4.95 121.20 123.03 2nr2 s ILE 13 Ca 0.16 0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.53 2nr2 s ILE 13 Cb -0.15 -3.43 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 2nr2 s ILE 13 CO 0.07 0.44 0.82 -0.89 -1.23 0.00 0.00 174.94 174.15 2nr2 s THR 14 N 0.40 4.58 0.03 2.92 2.01 -1.26 -2.19 115.64 122.12 2nr2 s THR 14 Ca 0.07 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2nr2 s THR 14 Cb -0.11 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2nr2 s THR 14 CO -0.01 -1.04 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.11 2nr2 s LEU 15 N 3.43 3.43 -0.17 4.42 1.43 0.37 -4.98 118.68 126.62 2nr2 s LEU 15 Ca 0.23 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 2nr2 s LEU 15 Cb -0.16 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2nr2 s LEU 15 CO 0.15 0.24 0.20 -0.70 0.23 0.00 0.00 176.35 176.48 2nr2 s GLU 16 N -1.80 4.10 0.11 1.70 2.56 -1.26 -0.34 118.70 123.76 2nr2 s GLU 16 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.97 55.06 2nr2 s GLU 16 Cb -0.11 -3.38 -0.02 0.00 2.00 0.00 0.00 34.13 32.62 2nr2 s GLU 16 CO 0.13 0.36 0.15 0.14 -0.56 0.00 0.00 175.26 175.48 2nr2 s VAL 17 N 0.15 0.13 0.12 3.70 -7.23 -0.99 -4.96 120.40 111.32 2nr2 s VAL 17 Ca 0.13 -1.49 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 2nr2 s VAL 17 Cb -0.12 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2nr2 s VAL 17 CO 0.02 -0.58 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.49 2nr2 s GLU 18 N -3.94 2.01 0.61 4.82 0.41 -1.26 0.13 118.70 121.48 2nr2 s GLU 18 Ca 0.12 -1.11 0.37 0.00 -0.41 0.00 0.00 54.97 53.94 2nr2 s GLU 18 Cb 0.06 -2.22 1.98 0.00 -1.78 0.00 0.00 34.13 32.16 2nr2 s GLU 18 CO -0.05 0.49 2.24 -1.35 -0.49 0.00 0.00 175.26 176.09 2nr2 h PRO 19 N 3.51 0.00 -0.01 0.39 0.11 -1.96 0.11 132.00 134.15 2nr2 h PRO 19 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2nr2 h PRO 19 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2nr2 h PRO 19 CO 0.51 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 2nr2 n SER 20 N -3.33 0.49 -4.83 -2.05 3.41 -1.26 -1.61 113.62 104.43 2nr2 n SER 20 Ca -0.02 -1.17 -0.33 0.00 -0.26 0.00 0.00 58.87 57.09 2nr2 n SER 20 Cb 0.14 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.99 6.80 0.61 4.04 1.01 0.39 -4.87 116.67 122.66 2nr2 s ASP 21 Ca 0.44 1.64 0.01 0.00 0.71 0.00 0.00 52.55 55.36 2nr2 s ASP 21 Cb 0.21 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.69 2nr2 s ASP 21 CO 0.36 -0.46 0.85 0.42 0.21 0.00 0.00 175.17 176.54 2nr2 s THR 22 N -2.38 2.44 0.23 -1.27 -4.23 -1.26 -1.69 115.64 107.48 2nr2 s THR 22 Ca 0.61 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2nr2 s THR 22 Cb -0.09 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 2nr2 s THR 22 CO 0.21 0.00 1.55 0.40 -0.54 0.00 0.00 174.62 176.24 2nr2 h ILE 23 N -0.11 1.38 -0.62 2.99 1.08 -0.47 -1.04 117.51 120.72 2nr2 h ILE 23 Ca -0.39 -1.99 0.07 0.00 -0.39 0.00 0.00 64.86 62.17 2nr2 h ILE 23 Cb 1.29 2.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.97 2nr2 h ILE 23 CO 0.47 0.59 0.29 -0.08 -0.69 0.00 0.00 178.15 178.73 2nr2 h GLU 24 N 0.20 0.52 -0.76 2.37 4.81 -1.29 0.59 114.58 121.02 2nr2 h GLU 24 Ca -0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2nr2 h GLU 24 Cb 1.12 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 2nr2 h GLU 24 CO 0.10 0.34 0.50 -0.91 -0.73 0.00 0.00 179.01 178.31 2nr2 h ASN 25 N 0.53 0.87 -0.31 1.04 4.21 -1.69 -1.88 115.58 118.35 2nr2 h ASN 25 Ca 0.30 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.65 2nr2 h ASN 25 Cb 0.28 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2nr2 h ASN 25 CO -0.24 0.64 -0.31 0.58 -1.29 0.00 0.00 177.43 176.81 2nr2 h VAL 26 N 1.03 1.29 -0.52 2.81 2.07 -1.06 -3.30 116.25 118.57 2nr2 h VAL 26 Ca 0.28 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 2nr2 h VAL 26 Cb -0.11 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2nr2 h VAL 26 CO -0.06 0.48 0.05 0.11 0.02 0.00 0.00 177.57 178.17 2nr2 h LYS 27 N 0.52 0.85 -0.62 1.57 1.57 0.51 -1.49 116.57 119.47 2nr2 h LYS 27 Ca 0.05 -0.21 0.15 0.00 -1.87 0.00 0.00 60.65 58.77 2nr2 h LYS 27 Cb 0.88 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2nr2 h LYS 27 CO 0.08 0.82 0.43 0.00 -0.57 0.00 0.00 179.45 180.21 2nr2 h ALA 28 N 1.25 2.36 0.13 3.86 0.00 -1.45 0.19 119.26 125.60 2nr2 h ALA 28 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 2nr2 h ALA 28 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2nr2 h ALA 28 CO 0.01 -0.54 -1.26 -0.22 0.00 0.00 0.00 179.25 177.25 2nr2 h LYS 29 N 0.16 0.28 -0.72 0.00 1.63 -1.36 -2.66 116.57 113.89 2nr2 h LYS 29 Ca 0.30 -0.47 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2nr2 h LYS 29 Cb 0.96 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 2nr2 h LYS 29 CO -0.05 1.22 0.44 0.82 -3.45 0.00 0.00 179.45 178.43 2nr2 h ILE 30 N 0.08 1.20 -0.98 2.00 2.04 -1.00 -2.43 117.51 118.43 2nr2 h ILE 30 Ca -0.14 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.37 2nr2 h ILE 30 Cb 1.98 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 2nr2 h ILE 30 CO 0.20 0.21 0.63 -0.61 0.00 0.00 0.00 178.15 178.58 2nr2 h GLN 31 N 0.98 1.02 -0.15 2.37 4.15 -0.68 -1.02 115.11 121.78 2nr2 h GLN 31 Ca 0.26 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 2nr2 h GLN 31 Cb -0.04 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.42 2nr2 h GLN 31 CO -0.05 0.67 -0.21 0.22 -1.93 0.00 0.00 178.83 177.53 2nr2 h ASP 32 N 1.05 0.45 0.08 -0.69 3.58 -1.30 -2.41 116.42 117.18 2nr2 h ASP 32 Ca 0.45 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2nr2 h ASP 32 Cb 0.33 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2nr2 h ASP 32 CO -0.20 0.88 -0.04 0.11 -2.88 0.00 0.00 179.24 177.11 2nr2 h LYS 33 N 0.04 -0.10 0.00 0.28 1.79 -1.05 -3.38 116.57 114.15 2nr2 h LYS 33 Ca 0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2nr2 h LYS 33 Cb 0.78 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2nr2 h LYS 33 CO 0.05 0.37 -1.19 0.39 -1.08 0.00 0.00 179.45 177.99 2nr2 n GLU 34 N -4.90 1.13 -2.73 3.15 -0.58 -0.42 -5.01 120.64 111.29 2nr2 n GLU 34 Ca -0.08 -0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.51 2nr2 n GLU 34 Cb 0.27 -1.33 0.04 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.45 0.06 3.07 0.62 0.00 -0.91 -5.02 105.19 104.46 2nr2 n GLY 35 Ca 0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.17 1.50 0.58 -0.61 1.01 -1.25 -5.05 121.20 114.21 2nr2 s ILE 36 Ca 0.02 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2nr2 s ILE 36 Cb -0.01 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2nr2 s ILE 36 CO 0.36 0.44 1.18 -2.84 0.00 0.00 0.00 174.94 174.08 2nr2 s PRO 37 N 0.89 3.08 0.48 2.79 0.02 -1.26 -4.03 135.00 136.97 2nr2 s PRO 37 Ca -0.09 1.74 0.13 0.00 0.02 0.00 0.00 61.00 62.80 2nr2 s PRO 37 Cb -0.15 -1.95 1.11 0.00 0.02 0.00 0.00 34.50 33.53 2nr2 s PRO 37 CO -0.00 -1.10 2.11 -1.35 -0.33 0.00 0.00 177.00 176.33 2nr2 h PRO 38 N 0.93 0.20 -0.89 5.54 0.11 -1.96 -1.43 132.00 134.51 2nr2 h PRO 38 Ca -0.50 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.66 2nr2 h PRO 38 Cb 1.28 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 2nr2 h PRO 38 CO 0.56 0.14 0.55 -0.44 -0.21 0.00 0.00 178.00 178.60 2nr2 h ASP 39 N 0.21 0.87 -0.10 -2.05 3.32 -2.00 -1.41 116.42 115.25 2nr2 h ASP 39 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2nr2 h ASP 39 Cb -0.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2nr2 h ASP 39 CO -0.01 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 2nr2 n GLN 40 N -4.61 1.66 -3.09 3.56 6.02 -0.54 -4.93 117.38 115.45 2nr2 n GLN 40 Ca 0.13 -0.98 -0.41 0.00 -0.01 0.00 0.00 57.00 55.73 2nr2 n GLN 40 Cb 0.19 -1.42 -0.06 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 -1.87 3.84 -0.33 -1.09 -0.21 -0.53 -1.17 119.66 118.29 2nr2 s GLN 41 Ca 0.34 0.26 -0.04 0.00 0.02 0.00 0.00 55.36 55.94 2nr2 s GLN 41 Cb 0.19 -3.75 0.05 0.00 1.00 0.00 0.00 33.01 30.49 2nr2 s GLN 41 CO 0.29 -0.64 0.07 0.50 -2.12 0.00 0.00 175.29 173.39 2nr2 s ARG 42 N 2.69 2.49 -0.22 2.91 3.52 0.34 -4.92 118.95 125.76 2nr2 s ARG 42 Ca 0.26 -1.28 -0.21 0.00 -0.13 0.00 0.00 55.73 54.38 2nr2 s ARG 42 Cb -0.15 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 2nr2 s ARG 42 CO 0.13 -0.69 0.63 -0.51 -0.81 0.00 0.00 175.30 174.05 2nr2 s LEU 43 N 1.32 4.11 -0.20 -0.88 1.43 -1.26 0.02 118.68 123.23 2nr2 s LEU 43 Ca -0.02 0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2nr2 s LEU 43 Cb -0.20 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 2nr2 s LEU 43 CO 0.01 -0.31 -0.05 -0.63 0.23 0.00 0.00 176.35 175.59 2nr2 s ILE 44 N 2.15 3.46 -0.03 -0.59 -1.09 0.11 -0.79 121.20 124.42 2nr2 s ILE 44 Ca 0.28 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 2nr2 s ILE 44 Cb -0.16 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 2nr2 s ILE 44 CO 0.09 0.45 -0.09 0.12 -1.23 0.00 0.00 174.94 174.29 2nr2 s PHE 45 N 1.10 0.95 -0.56 3.97 5.36 -0.83 -1.28 117.98 126.69 2nr2 s PHE 45 Ca 0.01 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2nr2 s PHE 45 Cb -0.15 -0.70 0.00 0.00 -0.34 0.00 0.00 43.02 41.84 2nr2 s PHE 45 CO -0.00 -0.12 0.00 0.00 -1.46 0.00 0.00 175.22 173.63 2nr2 n ALA 46 N 3.42 -0.75 0.00 11.12 0.00 -1.26 -0.43 120.51 132.61 2nr2 n ALA 46 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2nr2 n ALA 46 Cb 0.54 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.56 1.78 3.82 0.00 0.00 -1.26 -5.05 105.19 103.92 2nr2 n GLY 47 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.54 4.18 -0.46 1.61 -0.14 0.43 -5.05 119.74 119.76 2nr2 s LYS 48 Ca 0.00 0.78 -0.24 0.00 -1.36 0.00 0.00 55.97 55.15 2nr2 s LYS 48 Cb 0.00 -2.85 0.03 0.00 -1.68 0.00 0.00 37.83 33.32 2nr2 s LYS 48 CO 0.00 0.39 0.85 -0.65 -0.76 0.00 0.00 175.35 175.18 2nr2 s GLN 49 N -2.05 3.45 0.16 1.68 -0.21 -1.26 -1.96 119.66 119.46 2nr2 s GLN 49 Ca 0.43 -0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.49 2nr2 s GLN 49 Cb -0.16 -3.94 -0.08 0.00 1.00 0.00 0.00 33.01 29.83 2nr2 s GLN 49 CO 0.20 -1.18 1.27 -0.51 -2.12 0.00 0.00 175.29 172.96 2nr2 s LEU 50 N 3.50 4.41 -0.01 2.90 1.43 0.03 -5.00 118.68 125.94 2nr2 s LEU 50 Ca 0.33 2.28 -0.19 0.00 -1.03 0.00 0.00 54.13 55.51 2nr2 s LEU 50 Cb -0.11 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2nr2 s LEU 50 CO 0.24 -0.49 0.55 -0.70 0.23 0.00 0.00 176.35 176.17 2nr2 s GLU 51 N 0.24 4.25 0.11 1.70 2.12 -1.26 -4.70 118.70 121.17 2nr2 s GLU 51 Ca 0.57 0.65 -0.26 0.00 0.36 0.00 0.00 54.97 56.29 2nr2 s GLU 51 Cb -0.34 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 30.65 2nr2 s GLU 51 CO 0.35 0.42 1.64 -0.44 -0.54 0.00 0.00 175.26 176.69 2nr2 h ASP 52 N 5.50 -0.73 -0.31 -1.70 5.19 -1.95 -1.90 116.42 120.53 2nr2 h ASP 52 Ca -0.46 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 55.97 2nr2 h ASP 52 Cb 1.20 0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.95 2nr2 h ASP 52 CO 0.68 -0.33 0.09 0.61 -3.12 0.00 0.00 179.24 177.17 2nr2 n GLY 53 N -1.37 2.44 3.87 2.75 0.00 -1.26 -0.92 105.19 110.71 2nr2 n GLY 53 Ca -0.06 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.65 3.00 0.22 1.61 0.52 -0.71 -4.93 118.95 117.01 2nr2 s ARG 54 Ca 0.24 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2nr2 s ARG 54 Cb 0.19 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 2nr2 s ARG 54 CO 0.06 0.31 0.38 0.95 0.02 0.00 0.00 175.30 177.02 2nr2 s THR 55 N -2.15 5.23 0.46 0.02 -4.23 -1.26 -0.51 115.64 113.20 2nr2 s THR 55 Ca 0.36 -0.59 0.12 0.00 -1.18 0.00 0.00 61.69 60.40 2nr2 s THR 55 Cb -0.08 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.27 2nr2 s THR 55 CO 0.27 -0.25 2.07 -0.07 -0.54 0.00 0.00 174.62 176.10 2nr2 h LEU 56 N 1.67 0.28 -1.28 4.79 3.38 -1.19 -2.51 115.31 120.44 2nr2 h LEU 56 Ca -0.49 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 2nr2 h LEU 56 Cb 1.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2nr2 h LEU 56 CO 0.66 0.19 -0.30 0.77 0.09 0.00 0.00 178.44 179.85 2nr2 h SER 57 N 0.32 0.00 -0.21 -0.43 4.64 -1.54 -0.41 113.55 115.92 2nr2 h SER 57 Ca 0.14 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 2nr2 h SER 57 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2nr2 h SER 57 CO -0.03 0.30 -0.31 -0.78 -0.87 0.00 0.00 176.83 175.14 2nr2 h ASP 58 N 0.00 0.74 1.22 4.97 3.58 -1.74 -2.82 116.42 122.37 2nr2 h ASP 58 Ca -0.00 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2nr2 h ASP 58 Cb 0.68 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2nr2 h ASP 58 CO 0.04 1.00 -0.14 -1.22 -2.88 0.00 0.00 179.24 176.04 2nr2 n TYR 59 N -4.08 0.63 -2.84 0.28 4.02 -1.19 -4.94 117.16 109.04 2nr2 n TYR 59 Ca -0.01 0.18 -0.11 0.00 -0.01 0.00 0.00 57.90 57.95 2nr2 n TYR 59 Cb 0.48 -0.77 0.05 0.00 -0.02 0.00 0.00 39.34 39.08 2nr2 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2nr2 n ASN 60 N -2.04 -4.14 -4.82 7.72 4.13 -1.06 -5.02 115.26 110.02 2nr2 n ASN 60 Ca 0.05 -0.48 -0.36 0.00 1.68 0.00 0.00 54.58 55.47 2nr2 n ASN 60 Cb 0.41 -3.82 -0.07 0.00 -1.54 0.00 0.00 39.78 34.76 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 -3.27 5.43 0.54 2.41 1.01 -0.18 -5.01 121.20 122.13 2nr2 s ILE 61 Ca 0.21 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.18 2nr2 s ILE 61 Cb -0.03 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 39.02 2nr2 s ILE 61 CO 0.52 0.54 0.40 -1.10 0.00 0.00 0.00 174.94 175.31 2nr2 s GLN 62 N -0.49 2.26 0.70 2.79 -0.21 -1.26 -4.54 119.66 118.91 2nr2 s GLN 62 Ca 0.13 -2.00 -0.16 0.00 0.02 0.00 0.00 55.36 53.35 2nr2 s GLN 62 Cb -0.12 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 31.80 2nr2 s GLN 62 CO 0.03 -0.60 1.25 -1.59 -2.12 0.00 0.00 175.29 172.26 2nr2 s LYS 63 N -4.27 2.24 -0.29 2.91 -2.85 -1.26 -3.11 119.74 113.10 2nr2 s LYS 63 Ca 0.35 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.24 2nr2 s LYS 63 Cb -0.02 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 2nr2 s LYS 63 CO 0.22 -1.80 0.00 0.39 0.10 0.00 0.00 175.35 174.26 2nr2 n GLU 64 N -2.41 -1.23 -3.32 1.78 1.02 0.26 -4.98 120.64 111.76 2nr2 n GLU 64 Ca 0.15 0.45 -0.32 0.00 -0.02 0.00 0.00 57.16 57.42 2nr2 n GLU 64 Cb 0.49 -4.45 -0.06 0.00 -0.02 0.00 0.00 31.44 27.41 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 -2.17 6.67 -0.26 1.62 0.01 -1.18 -4.80 113.70 113.60 2nr2 s SER 65 Ca 0.00 1.04 -0.08 0.00 1.31 0.00 0.00 55.95 58.22 2nr2 s SER 65 Cb 0.00 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2nr2 s SER 65 CO 0.00 -0.12 0.10 -0.89 0.41 0.00 0.00 173.24 172.75 2nr2 s THR 66 N -1.87 4.60 -0.00 1.44 2.01 -1.26 -0.86 115.64 119.69 2nr2 s THR 66 Ca 0.50 -0.07 -0.20 0.00 0.31 0.00 0.00 61.69 62.23 2nr2 s THR 66 Cb -0.11 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2nr2 s THR 66 CO 0.20 0.32 0.57 -0.76 -0.69 0.00 0.00 174.62 174.25 2nr2 s LEU 67 N 1.62 4.43 -0.23 4.42 1.43 0.82 -4.89 118.68 126.27 2nr2 s LEU 67 Ca 0.06 1.13 -0.07 0.00 -1.03 0.00 0.00 54.13 54.22 2nr2 s LEU 67 Cb -0.15 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 2nr2 s LEU 67 CO 0.06 0.14 0.07 -1.00 0.23 0.00 0.00 176.35 175.84 2nr2 s HIS 68 N -0.33 3.12 -0.46 0.29 3.76 -0.40 -0.78 115.29 120.49 2nr2 s HIS 68 Ca 0.30 -0.29 -0.19 0.00 -0.15 0.00 0.00 55.06 54.72 2nr2 s HIS 68 Cb -0.18 -2.20 0.03 0.00 1.11 0.00 0.00 32.58 31.35 2nr2 s HIS 68 CO 0.17 -0.23 0.59 -1.17 -0.85 0.00 0.00 174.74 173.25 2nr2 s LEU 69 N 1.31 4.73 -0.09 0.89 2.96 -0.54 0.07 118.68 128.01 2nr2 s LEU 69 Ca 0.05 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2nr2 s LEU 69 Cb -0.15 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 2nr2 s LEU 69 CO 0.04 -0.78 0.19 -0.69 -1.32 0.00 0.00 176.35 173.78 2nr2 s VAL 70 N 2.62 5.43 -0.00 1.68 1.01 0.10 -3.95 120.40 127.29 2nr2 s VAL 70 Ca 0.18 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 2nr2 s VAL 70 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2nr2 s VAL 70 CO 0.15 0.60 0.64 -0.76 0.00 0.00 0.00 175.10 175.74 2nr2 s LEU 71 N -1.08 4.41 -0.31 3.92 1.43 -1.26 -0.50 118.68 125.28 2nr2 s LEU 71 Ca 0.17 1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 54.29 2nr2 s LEU 71 Cb -0.13 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 2nr2 s LEU 71 CO 0.06 0.06 0.63 -0.60 0.23 0.00 0.00 176.35 176.73 2nr2 s ARG 72 N -0.04 3.87 -0.39 1.70 3.52 -0.32 -4.90 118.95 122.40 2nr2 s ARG 72 Ca 0.33 0.27 -0.18 0.00 -0.13 0.00 0.00 55.73 56.02 2nr2 s ARG 72 Cb -0.19 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.48 2nr2 s ARG 72 CO 0.18 -0.59 0.48 -0.51 -0.81 0.00 0.00 175.30 174.05 2nr2 s LEU 73 N 2.62 4.60 0.90 -0.88 1.43 -1.26 -4.89 118.68 121.19 2nr2 s LEU 73 Ca 0.25 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2nr2 s LEU 73 Cb -0.15 -2.49 0.13 0.00 0.03 0.00 0.00 46.19 43.72 2nr2 s LEU 73 CO 0.12 -0.55 1.12 0.00 0.23 0.00 0.00 176.35 177.27 2nr2 s ARG 74 N 2.30 1.20 -0.14 1.70 1.70 -1.26 -5.01 118.95 119.44 2nr2 s ARG 74 Ca 0.16 1.32 0.22 0.00 -0.47 0.00 0.00 55.73 56.95 2nr2 s ARG 74 Cb -0.16 -1.77 0.43 0.00 -0.57 0.00 0.00 34.95 32.88 2nr2 s ARG 74 CO 0.14 -2.43 1.16 0.41 -1.08 0.00 0.00 175.30 173.51 2nr2 n GLY 75 N -0.25 1.40 0.00 3.88 0.00 -1.26 -5.31 105.19 103.65 2nr2 n GLY 75 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93