#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 3.93 0.05 3.17 0.74 -1.26 -0.43 119.66 125.86 2nr2 s GLN 2 Ca 0.00 -0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.12 2nr2 s GLN 2 Cb 0.00 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 2nr2 s GLN 2 CO 0.00 0.36 -0.04 0.96 -0.55 0.00 0.00 175.29 176.02 2nr2 s ILE 3 N 0.15 0.29 -0.22 -2.34 -4.36 -0.47 0.10 121.20 114.35 2nr2 s ILE 3 Ca 0.06 -1.59 -0.05 0.00 -0.26 0.00 0.00 60.65 58.81 2nr2 s ILE 3 Cb -0.12 -1.21 -0.02 0.00 1.25 0.00 0.00 42.46 42.36 2nr2 s ILE 3 CO -0.00 -0.83 0.01 -0.36 0.24 0.00 0.00 174.94 173.99 2nr2 s PHE 4 N -3.17 3.02 -0.52 1.37 0.08 0.59 -0.62 117.98 118.72 2nr2 s PHE 4 Ca 0.02 -0.61 -0.18 0.00 0.12 0.00 0.00 56.93 56.28 2nr2 s PHE 4 Cb 0.02 -2.14 0.08 0.00 -0.57 0.00 0.00 43.02 40.42 2nr2 s PHE 4 CO -0.07 -0.38 0.56 0.08 -0.10 0.00 0.00 175.22 175.31 2nr2 s VAL 5 N 1.35 5.02 0.18 -0.44 1.01 0.13 -0.95 120.40 126.70 2nr2 s VAL 5 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2nr2 s VAL 5 Cb -0.15 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 2nr2 s VAL 5 CO 0.01 -0.82 1.07 -0.54 0.00 0.00 0.00 175.10 174.81 2nr2 s LYS 6 N 2.21 4.64 0.74 2.72 1.02 0.11 -1.27 119.74 129.91 2nr2 s LYS 6 Ca 0.09 1.67 -0.09 0.00 0.02 0.00 0.00 55.97 57.67 2nr2 s LYS 6 Cb -0.23 -3.28 0.07 0.00 -0.52 0.00 0.00 37.83 33.86 2nr2 s LYS 6 CO 0.08 0.15 1.08 0.95 -0.92 0.00 0.00 175.35 176.68 2nr2 s THR 7 N -0.38 2.18 0.20 2.17 -4.23 -0.76 0.01 115.64 114.83 2nr2 s THR 7 Ca 0.48 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 2nr2 s THR 7 Cb -0.28 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 70.69 2nr2 s THR 7 CO 0.35 -0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.20 2nr2 h LEU 8 N -0.77 0.85 0.03 4.79 3.38 -1.89 -3.32 115.31 118.36 2nr2 h LEU 8 Ca -0.45 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2nr2 h LEU 8 Cb 1.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2nr2 h LEU 8 CO 0.62 0.65 -0.01 0.71 0.09 0.00 0.00 178.44 180.50 2nr2 h THR 9 N 0.97 1.42 0.00 0.22 1.35 -1.94 -3.49 112.91 111.44 2nr2 h THR 9 Ca 0.26 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2nr2 h THR 9 Cb -0.05 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2nr2 h THR 9 CO -0.05 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2nr2 n GLY 10 N 0.99 0.58 3.65 5.82 0.00 -1.25 -5.14 105.19 109.85 2nr2 n GLY 10 Ca -0.09 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 2nr2 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nr2 n LYS 11 N 0.00 1.85 -3.58 1.61 4.81 -1.26 -4.69 118.16 116.90 2nr2 n LYS 11 Ca 0.00 0.66 -0.40 0.00 -0.87 0.00 0.00 58.31 57.69 2nr2 n LYS 11 Cb 0.00 -2.25 -0.09 0.00 0.02 0.00 0.00 35.03 32.72 2nr2 n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2nr2 s THR 12 N -0.36 4.13 -0.77 3.15 2.01 -1.26 -1.82 115.64 120.71 2nr2 s THR 12 Ca 0.66 -1.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.44 2nr2 s THR 12 Cb -0.67 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.16 2nr2 s THR 12 CO 0.53 -0.79 1.28 -0.63 -0.69 0.00 0.00 174.62 174.32 2nr2 s ILE 13 N 1.15 3.80 -0.17 1.82 1.01 -0.39 -4.89 121.20 123.53 2nr2 s ILE 13 Ca 0.08 0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.63 2nr2 s ILE 13 Cb -0.25 -4.92 -0.01 0.00 0.01 0.00 0.00 42.46 37.30 2nr2 s ILE 13 CO -0.02 -1.84 0.93 -0.89 0.00 0.00 0.00 174.94 173.13 2nr2 s THR 14 N 5.48 4.80 0.04 2.92 2.01 -1.26 0.17 115.64 129.80 2nr2 s THR 14 Ca 0.35 1.84 0.08 0.00 0.31 0.00 0.00 61.69 64.28 2nr2 s THR 14 Cb -0.08 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2nr2 s THR 14 CO 0.11 -0.04 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.00 2nr2 s LEU 15 N 2.45 2.16 -0.22 4.42 1.43 0.20 -4.97 118.68 124.15 2nr2 s LEU 15 Ca 0.42 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 2nr2 s LEU 15 Cb -0.16 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2nr2 s LEU 15 CO 0.12 0.22 0.09 -1.61 0.23 0.00 0.00 176.35 175.39 2nr2 s GLU 16 N -1.17 3.86 0.13 1.70 2.02 -1.26 -1.37 118.70 122.62 2nr2 s GLU 16 Ca 0.10 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 2nr2 s GLU 16 Cb -0.09 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2nr2 s GLU 16 CO 0.02 0.04 0.08 0.14 0.02 0.00 0.00 175.26 175.56 2nr2 s VAL 17 N 1.03 0.10 0.07 2.63 -7.23 0.43 -4.92 120.40 112.52 2nr2 s VAL 17 Ca 0.05 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 2nr2 s VAL 17 Cb -0.14 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2nr2 s VAL 17 CO 0.03 -0.47 0.15 -1.61 -0.31 0.00 0.00 175.10 172.89 2nr2 s GLU 18 N -4.03 3.16 0.24 4.82 0.41 -1.26 0.61 118.70 122.64 2nr2 s GLU 18 Ca 0.22 -0.57 0.25 0.00 -0.41 0.00 0.00 54.97 54.47 2nr2 s GLU 18 Cb 0.07 -2.88 0.88 0.00 -1.78 0.00 0.00 34.13 30.42 2nr2 s GLU 18 CO 0.01 0.58 1.75 -0.35 -0.49 0.00 0.00 175.26 176.77 2nr2 n PRO 19 N 0.34 0.24 0.00 0.39 -0.04 -1.26 -1.54 135.00 133.13 2nr2 n PRO 19 Ca -0.07 0.31 0.16 0.00 -0.04 0.00 0.00 63.50 63.85 2nr2 n PRO 19 Cb 0.51 -1.84 0.86 0.00 -0.04 0.00 0.00 33.50 32.99 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 -2.28 0.16 -4.79 3.54 3.41 -1.26 -0.55 113.62 111.85 2nr2 n SER 20 Ca 0.04 -0.87 -0.35 0.00 -0.26 0.00 0.00 58.87 57.43 2nr2 n SER 20 Cb 0.35 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.13 6.55 0.82 4.04 1.01 -0.59 -4.86 116.67 121.50 2nr2 s ASP 21 Ca 0.42 1.99 -0.08 0.00 0.71 0.00 0.00 52.55 55.59 2nr2 s ASP 21 Cb 0.21 -2.57 0.14 0.00 1.01 0.00 0.00 42.92 41.72 2nr2 s ASP 21 CO 0.39 -0.64 1.13 0.42 0.21 0.00 0.00 175.17 176.69 2nr2 s THR 22 N -1.81 2.10 0.10 -1.27 -4.23 -1.26 -2.73 115.64 106.54 2nr2 s THR 22 Ca 0.62 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.76 2nr2 s THR 22 Cb -0.19 -2.81 -0.23 0.00 1.34 0.00 0.00 72.50 70.61 2nr2 s THR 22 CO 0.24 0.00 1.22 0.40 -0.54 0.00 0.00 174.62 175.94 2nr2 h ILE 23 N -1.00 1.37 -0.88 2.99 1.08 -0.77 -0.79 117.51 119.51 2nr2 h ILE 23 Ca -0.41 -2.50 0.16 0.00 -0.39 0.00 0.00 64.86 61.72 2nr2 h ILE 23 Cb 1.26 2.54 -0.07 0.00 -3.07 0.00 0.00 36.82 37.48 2nr2 h ILE 23 CO 0.43 0.75 0.57 -0.08 -0.69 0.00 0.00 178.15 179.13 2nr2 h GLU 24 N 0.25 0.56 -0.03 2.37 4.81 -1.30 0.28 114.58 121.52 2nr2 h GLU 24 Ca -0.12 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 2nr2 h GLU 24 Cb 1.72 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.98 2nr2 h GLU 24 CO 0.19 0.37 -0.36 -0.97 -0.73 0.00 0.00 179.01 177.51 2nr2 h ASN 25 N 0.58 0.37 -0.72 1.04 -0.73 -1.72 -2.81 115.58 111.59 2nr2 h ASN 25 Ca 0.45 -0.72 0.05 0.00 1.87 0.00 0.00 56.30 57.95 2nr2 h ASN 25 Cb 0.87 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.30 2nr2 h ASN 25 CO -0.20 1.04 0.43 0.58 -0.37 0.00 0.00 177.43 178.91 2nr2 h VAL 26 N -0.27 1.02 -0.15 2.57 2.07 -0.98 0.46 116.25 120.97 2nr2 h VAL 26 Ca -0.04 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2nr2 h VAL 26 Cb 1.07 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2nr2 h VAL 26 CO 0.07 0.15 -0.48 0.11 0.02 0.00 0.00 177.57 177.44 2nr2 h LYS 27 N 0.80 0.40 -0.58 1.57 1.57 -1.04 -1.76 116.57 117.52 2nr2 h LYS 27 Ca 0.31 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2nr2 h LYS 27 Cb 0.14 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2nr2 h LYS 27 CO -0.16 0.79 0.11 0.00 -0.57 0.00 0.00 179.45 179.62 2nr2 h ALA 28 N 1.17 1.10 -0.87 3.86 0.00 -1.09 -1.72 119.26 121.71 2nr2 h ALA 28 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.74 2nr2 h ALA 28 Cb 0.96 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2nr2 h ALA 28 CO 0.08 0.59 0.55 -0.22 0.00 0.00 0.00 179.25 180.26 2nr2 h LYS 29 N 0.87 1.01 -0.48 0.00 3.64 0.11 -0.49 116.57 121.24 2nr2 h LYS 29 Ca 0.18 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2nr2 h LYS 29 Cb 0.36 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2nr2 h LYS 29 CO 0.01 0.67 0.12 0.82 -2.27 0.00 0.00 179.45 178.80 2nr2 h ILE 30 N 1.04 1.20 -0.81 2.00 2.04 -0.71 -1.23 117.51 121.05 2nr2 h ILE 30 Ca 0.36 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2nr2 h ILE 30 Cb 0.08 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2nr2 h ILE 30 CO -0.14 0.27 0.46 -0.61 0.00 0.00 0.00 178.15 178.12 2nr2 h GLN 31 N 0.69 1.12 0.60 2.37 4.15 -0.89 -1.63 115.11 121.53 2nr2 h GLN 31 Ca 0.16 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2nr2 h GLN 31 Cb 0.24 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2nr2 h GLN 31 CO -0.00 0.81 -0.38 0.22 -1.93 0.00 0.00 178.83 177.55 2nr2 h ASP 32 N 1.12 -0.96 0.22 -0.69 3.58 -0.58 -3.04 116.42 116.07 2nr2 h ASP 32 Ca 0.29 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 2nr2 h ASP 32 Cb 0.01 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2nr2 h ASP 32 CO -0.05 -0.59 -0.11 0.50 -2.88 0.00 0.00 179.24 176.11 2nr2 h LYS 33 N -0.94 -0.29 0.00 0.28 3.64 -1.16 -3.40 116.57 114.71 2nr2 h LYS 33 Ca -0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2nr2 h LYS 33 Cb 0.76 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2nr2 h LYS 33 CO 0.07 -0.19 -1.84 0.39 -2.27 0.00 0.00 179.45 175.61 2nr2 n GLU 34 N -3.98 0.60 -0.13 1.90 -0.58 -0.64 -5.01 120.64 112.81 2nr2 n GLU 34 Ca -0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2nr2 n GLU 34 Cb 0.12 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.36 1.87 3.44 0.62 0.00 -1.04 -5.02 105.19 106.41 2nr2 n GLY 35 Ca -0.03 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 4.31 0.51 -0.61 1.01 -1.25 -4.92 121.20 118.25 2nr2 s ILE 36 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 2nr2 s ILE 36 Cb 0.00 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.35 2nr2 s ILE 36 CO 0.00 0.29 1.15 -2.65 0.00 0.00 0.00 174.94 173.74 2nr2 n PRO 37 N 4.93 1.44 0.00 2.79 -0.02 -1.26 -3.09 135.00 139.79 2nr2 n PRO 37 Ca -0.16 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 2nr2 n PRO 37 Cb 0.51 -2.30 0.67 0.00 -0.02 0.00 0.00 33.50 32.35 2nr2 n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nr2 n PRO 38 N -0.54 0.55 0.15 0.52 -0.04 -1.26 -2.52 135.00 131.87 2nr2 n PRO 38 Ca 0.10 -0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2nr2 n PRO 38 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2nr2 n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nr2 h ASP 39 N 0.30 0.00 0.63 3.54 3.32 -1.96 -3.28 116.42 118.98 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 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2nr2 h ASP 39 CO 0.00 0.37 -0.64 0.00 -1.72 0.00 0.00 179.24 177.25 2nr2 n GLN 40 N -3.16 0.17 -3.02 3.56 6.02 -1.05 -4.83 117.38 115.07 2nr2 n GLN 40 Ca 0.02 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 2nr2 n GLN 40 Cb 0.69 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 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 -3.10 4.25 -0.21 -1.09 -0.21 -1.24 -0.47 119.66 117.59 2nr2 s GLN 41 Ca 0.08 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.25 2nr2 s GLN 41 Cb 0.15 -3.58 0.04 0.00 1.00 0.00 0.00 33.01 30.63 2nr2 s GLN 41 CO 0.73 -0.28 -0.11 1.03 -2.12 0.00 0.00 175.29 174.54 2nr2 s ARG 42 N 2.02 2.11 0.09 2.91 0.52 0.17 -4.98 118.95 121.79 2nr2 s ARG 42 Ca 0.33 -0.92 -0.22 0.00 -0.52 0.00 0.00 55.73 54.40 2nr2 s ARG 42 Cb -0.16 -2.50 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 2nr2 s ARG 42 CO 0.11 -0.44 0.66 -0.51 0.02 0.00 0.00 175.30 175.14 2nr2 s LEU 43 N 1.35 4.52 -0.04 2.53 1.43 -1.26 -0.67 118.68 126.54 2nr2 s LEU 43 Ca -0.02 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 2nr2 s LEU 43 Cb -0.17 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.02 2nr2 s LEU 43 CO -0.08 0.20 -0.03 -0.63 0.23 0.00 0.00 176.35 176.04 2nr2 s ILE 44 N -0.86 0.43 -0.18 -0.59 1.01 0.01 -1.65 121.20 119.36 2nr2 s ILE 44 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2nr2 s ILE 44 Cb -0.20 -0.48 0.04 0.00 0.01 0.00 0.00 42.46 41.82 2nr2 s ILE 44 CO 0.21 0.21 -0.07 0.12 0.00 0.00 0.00 174.94 175.41 2nr2 s PHE 45 N 1.06 1.97 0.00 3.97 5.36 -0.28 0.12 117.98 130.18 2nr2 s PHE 45 Ca -0.09 -1.26 0.00 0.00 -0.96 0.00 0.00 56.93 54.62 2nr2 s PHE 45 Cb -0.14 -1.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 2nr2 s PHE 45 CO -0.01 -0.66 0.00 0.00 -1.46 0.00 0.00 175.22 173.09 2nr2 n ALA 46 N 4.80 0.00 -0.54 11.12 0.00 -1.26 -2.35 120.51 132.28 2nr2 n ALA 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2nr2 n ALA 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.54 3.79 0.00 0.00 -1.26 -5.11 105.19 103.14 2nr2 n GLY 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.94 0.30 1.61 1.02 -0.99 -5.09 119.74 120.53 2nr2 s LYS 48 Ca 0.00 -0.07 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 2nr2 s LYS 48 Cb 0.00 -3.33 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 2nr2 s LYS 48 CO 0.00 0.47 1.12 -0.65 -0.92 0.00 0.00 175.35 175.38 2nr2 s GLN 49 N -0.17 4.54 -0.24 1.68 -0.21 -1.26 -1.13 119.66 122.87 2nr2 s GLN 49 Ca 0.13 1.84 -0.13 0.00 0.02 0.00 0.00 55.36 57.22 2nr2 s GLN 49 Cb -0.12 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 2nr2 s GLN 49 CO 0.02 0.11 0.27 -0.51 -2.12 0.00 0.00 175.29 173.07 2nr2 s LEU 50 N -1.62 4.10 0.14 2.90 1.43 -0.66 -4.95 118.68 120.01 2nr2 s LEU 50 Ca 0.47 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 2nr2 s LEU 50 Cb -0.32 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 2nr2 s LEU 50 CO 0.42 -0.04 0.51 -0.70 0.23 0.00 0.00 176.35 176.76 2nr2 s GLU 51 N 1.44 3.89 0.17 1.70 2.12 -1.26 -4.72 118.70 122.05 2nr2 s GLU 51 Ca 0.12 0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.55 2nr2 s GLU 51 Cb -0.15 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.35 2nr2 s GLU 51 CO 0.08 0.48 1.56 -0.44 -0.54 0.00 0.00 175.26 176.39 2nr2 h ASP 52 N 3.46 -1.71 0.00 -1.70 5.19 -1.98 -2.06 116.42 117.63 2nr2 h ASP 52 Ca -0.48 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2nr2 h ASP 52 Cb 1.19 0.77 0.00 0.00 0.18 0.00 0.00 39.33 41.47 2nr2 h ASP 52 CO 0.66 -0.32 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 2nr2 n GLY 53 N -1.37 -0.61 3.99 2.75 0.00 -1.26 -0.91 105.19 107.78 2nr2 n GLY 53 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 2.96 0.36 1.61 1.81 -0.77 -4.94 118.95 117.98 2nr2 s ARG 54 Ca 0.08 -0.98 0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2nr2 s ARG 54 Cb 0.04 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.77 2nr2 s ARG 54 CO 0.06 -0.17 0.22 0.95 -0.68 0.00 0.00 175.30 175.68 2nr2 s THR 55 N -2.35 2.98 0.35 0.02 -4.23 -1.26 -1.76 115.64 109.38 2nr2 s THR 55 Ca 0.50 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 2nr2 s THR 55 Cb -0.10 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.92 2nr2 s THR 55 CO 0.33 -0.12 1.94 -0.07 -0.54 0.00 0.00 174.62 176.16 2nr2 h LEU 56 N 1.37 0.61 -0.29 4.79 3.38 -1.30 -2.90 115.31 120.96 2nr2 h LEU 56 Ca -0.43 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 2nr2 h LEU 56 Cb 1.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2nr2 h LEU 56 CO 0.62 0.54 -0.87 -1.28 0.09 0.00 0.00 178.44 177.55 2nr2 h SER 57 N 0.67 0.28 -0.48 -0.43 0.87 -1.08 -0.83 113.55 112.55 2nr2 h SER 57 Ca 0.16 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 2nr2 h SER 57 Cb 0.12 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 2nr2 h SER 57 CO -0.02 1.02 0.20 0.44 -0.53 0.00 0.00 176.83 177.94 2nr2 h ASP 58 N 0.12 0.26 0.70 6.23 3.32 -1.78 -2.92 116.42 122.36 2nr2 h ASP 58 Ca -0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nr2 h ASP 58 Cb 1.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2nr2 h ASP 58 CO 0.13 0.18 -0.22 -1.22 -1.72 0.00 0.00 179.24 176.40 2nr2 n TYR 59 N -4.95 0.00 -1.99 4.55 4.01 -1.12 -4.94 117.16 112.71 2nr2 n TYR 59 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2nr2 n TYR 59 Cb 0.16 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 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 -1.42 -1.83 -4.59 7.72 4.13 -0.82 -5.06 115.26 113.39 2nr2 n ASN 60 Ca 0.07 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 2nr2 n ASN 60 Cb 0.33 -0.46 -0.09 0.00 -1.54 0.00 0.00 39.78 38.02 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 -2.86 5.20 0.49 2.41 1.01 -0.38 -5.03 121.20 122.04 2nr2 s ILE 61 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.04 2nr2 s ILE 61 Cb 0.00 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2nr2 s ILE 61 CO 0.00 0.11 0.18 0.00 0.00 0.00 0.00 174.94 175.23 2nr2 n GLN 62 N 5.30 0.79 -1.65 2.79 6.02 -1.26 -4.62 117.38 124.76 2nr2 n GLN 62 Ca -0.10 -3.34 -0.36 0.00 -0.01 0.00 0.00 57.00 53.20 2nr2 n GLN 62 Cb 0.51 0.65 0.07 0.00 1.02 0.00 0.00 30.24 32.49 2nr2 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2nr2 s LYS 63 N -3.90 2.43 -1.26 -1.09 -2.85 -1.26 -3.66 119.74 108.15 2nr2 s LYS 63 Ca 0.14 1.89 0.00 0.00 -1.00 0.00 0.00 55.97 57.00 2nr2 s LYS 63 Cb -0.01 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 2nr2 s LYS 63 CO 0.09 -1.65 0.00 0.39 0.10 0.00 0.00 175.35 174.28 2nr2 n GLU 64 N -2.22 -1.15 -4.08 1.78 1.02 0.12 -4.99 120.64 111.11 2nr2 n GLU 64 Ca 0.14 0.72 -0.30 0.00 -0.02 0.00 0.00 57.16 57.71 2nr2 n GLU 64 Cb 0.49 -5.02 -0.07 0.00 -0.02 0.00 0.00 31.44 26.83 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2nr2 s SER 65 N -2.37 5.35 -0.25 1.62 1.04 -1.24 -4.91 113.70 112.94 2nr2 s SER 65 Ca 0.00 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 2nr2 s SER 65 Cb 0.00 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 2nr2 s SER 65 CO 0.00 0.15 0.12 -0.89 0.98 0.00 0.00 173.24 173.60 2nr2 s THR 66 N -1.43 4.82 0.02 2.02 2.01 -1.26 -0.30 115.64 121.51 2nr2 s THR 66 Ca 0.28 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.32 2nr2 s THR 66 Cb -0.12 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2nr2 s THR 66 CO 0.21 0.33 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.65 2nr2 s LEU 67 N 1.40 3.22 -0.15 4.42 1.02 -0.12 -4.72 118.68 123.75 2nr2 s LEU 67 Ca 0.06 -0.15 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 2nr2 s LEU 67 Cb -0.15 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 2nr2 s LEU 67 CO 0.06 0.26 0.12 -1.00 0.02 0.00 0.00 176.35 175.81 2nr2 s HIS 68 N -1.05 3.49 -0.18 0.29 3.76 0.12 0.05 115.29 121.77 2nr2 s HIS 68 Ca 0.18 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.49 2nr2 s HIS 68 Cb -0.11 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 2nr2 s HIS 68 CO 0.09 0.54 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.25 2nr2 s LEU 69 N -0.48 2.71 -0.13 0.89 2.96 0.10 -0.81 118.68 123.91 2nr2 s LEU 69 Ca 0.12 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2nr2 s LEU 69 Cb -0.12 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2nr2 s LEU 69 CO 0.02 0.06 0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 2nr2 s VAL 70 N 1.00 4.46 0.01 1.68 1.01 0.15 -3.17 120.40 125.55 2nr2 s VAL 70 Ca -0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2nr2 s VAL 70 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2nr2 s VAL 70 CO -0.01 0.54 0.32 -0.22 0.00 0.00 0.00 175.10 175.72 2nr2 s LEU 71 N -0.21 4.39 0.10 3.92 2.96 -1.26 -0.65 118.68 127.92 2nr2 s LEU 71 Ca 0.06 0.70 0.09 0.00 -0.22 0.00 0.00 54.13 54.76 2nr2 s LEU 71 Cb -0.12 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2nr2 s LEU 71 CO 0.02 0.27 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.99 2nr2 s ARG 72 N -1.56 1.78 -0.02 1.98 1.81 0.38 -4.98 118.95 118.34 2nr2 s ARG 72 Ca 0.27 -1.16 -0.30 0.00 -1.72 0.00 0.00 55.73 52.81 2nr2 s ARG 72 Cb -0.14 -2.09 -0.03 0.00 -0.45 0.00 0.00 34.95 32.24 2nr2 s ARG 72 CO 0.14 0.49 1.10 -0.51 -0.68 0.00 0.00 175.30 175.84 2nr2 s LEU 73 N -1.94 4.32 0.00 2.53 1.43 -1.26 -4.79 118.68 118.97 2nr2 s LEU 73 Ca 0.16 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2nr2 s LEU 73 Cb -0.10 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2nr2 s LEU 73 CO 0.08 -0.44 0.00 -1.14 0.23 0.00 0.00 176.35 175.08 2nr2 n ARG 74 N 4.50 0.00 -0.56 1.70 0.63 -1.26 -5.07 116.66 116.60 2nr2 n ARG 74 Ca 0.09 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2nr2 n ARG 74 Cb 0.48 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.39 2nr2 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2nr2 n GLY 75 N 2.52 0.71 0.00 5.14 0.00 -1.26 -5.22 105.19 107.07 2nr2 n GLY 75 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93