#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbc n ASP 2 N 0.00 -2.11 0.00 1.45 2.03 -1.15 -4.95 116.55 111.83 1tbc n ASP 2 Ca 0.00 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1tbc n ASP 2 Cb 0.00 -2.74 0.00 0.00 -0.72 0.00 0.00 41.12 37.66 1tbc n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tbc n PRO 3 N -4.47 0.00 0.01 -0.67 -0.04 -1.26 -4.88 135.00 123.70 1tbc n PRO 3 Ca -0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.23 1tbc n PRO 3 Cb 0.64 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.10 1tbc n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tbc h VAL 4 N 0.00 0.00 0.00 0.52 2.07 -1.92 -3.48 116.25 113.44 1tbc h VAL 4 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1tbc h VAL 4 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1tbc h VAL 4 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1tbc n ASP 5 N -2.25 0.00 0.00 0.57 2.03 -1.26 -5.06 116.55 110.58 1tbc n ASP 5 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1tbc n ASP 5 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1tbc n ASP 5 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tbc n PRO 6 N -2.05 3.34 0.00 -0.67 -0.04 -1.26 -4.21 135.00 130.11 1tbc n PRO 6 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1tbc n PRO 6 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1tbc n PRO 6 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tbc h ASN 7 N 0.00 -0.09 0.00 3.54 2.35 -1.30 -3.35 115.58 116.73 1tbc h ASN 7 Ca 0.00 -0.52 -0.08 0.00 -0.55 0.00 0.00 56.30 55.15 1tbc h ASN 7 Cb 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 38.32 38.21 1tbc h ASN 7 CO 0.00 0.56 -0.71 2.30 -1.65 0.00 0.00 177.43 177.93 1tbc n ILE 8 N -4.82 0.57 -3.47 2.81 -0.00 -1.26 -4.85 119.36 108.33 1tbc n ILE 8 Ca -0.08 -1.27 -0.16 0.00 -0.00 0.00 0.00 62.75 61.24 1tbc n ILE 8 Cb 0.30 0.53 0.01 0.00 -0.00 0.00 0.00 39.64 40.48 1tbc n ILE 8 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1tbc n GLU 9 N -0.10 -1.39 -0.63 6.28 1.02 -1.26 -4.86 120.64 119.70 1tbc n GLU 9 Ca 0.08 0.98 -0.10 0.00 -0.02 0.00 0.00 57.16 58.10 1tbc n GLU 9 Cb 0.90 -4.09 0.12 0.00 -0.02 0.00 0.00 31.44 28.35 1tbc n GLU 9 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1tbc n PRO 10 N -2.64 1.94 -0.47 3.49 -0.04 -1.26 -4.16 135.00 131.85 1tbc n PRO 10 Ca -0.14 -1.64 0.08 0.00 -0.04 0.00 0.00 63.50 61.76 1tbc n PRO 10 Cb 0.59 -1.69 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 1tbc n PRO 10 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1tbc n TRP 11 N -0.26 1.04 -4.59 0.54 7.02 -1.26 -4.94 117.44 114.99 1tbc n TRP 11 Ca 0.29 -0.80 -0.33 0.00 -1.02 0.00 0.00 57.50 55.64 1tbc n TRP 11 Cb 1.07 -0.30 -0.16 0.00 -2.42 0.00 0.00 31.31 29.50 1tbc n TRP 11 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1tbc s ASN 12 N -1.65 3.17 0.20 -0.99 0.01 -1.24 -3.87 114.94 110.57 1tbc s ASN 12 Ca 0.42 -0.60 -0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1tbc s ASN 12 Cb 0.32 -1.46 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 1tbc s ASN 12 CO 0.11 0.07 0.10 -1.00 -1.51 0.00 0.00 177.10 174.88 1tbc s HIS 13 N 0.88 1.17 -0.38 2.20 3.76 0.15 -4.99 115.29 118.08 1tbc s HIS 13 Ca -0.05 -1.30 0.24 0.00 -0.15 0.00 0.00 55.06 53.79 1tbc s HIS 13 Cb -0.15 -0.61 0.44 0.00 1.11 0.00 0.00 32.58 33.37 1tbc s HIS 13 CO -0.03 -0.55 1.64 -1.00 -0.85 0.00 0.00 174.74 173.96 1tbc h PRO 14 N 2.63 0.00 -0.81 8.40 0.13 -1.87 -3.40 132.00 137.08 1tbc h PRO 14 Ca -0.36 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.63 1tbc h PRO 14 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1tbc h PRO 14 CO 0.56 0.01 -0.17 0.41 -0.23 0.00 0.00 178.00 178.59 1tbc n GLY 15 N 0.99 0.32 0.00 1.56 0.00 -1.26 -4.55 105.19 102.25 1tbc n GLY 15 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1tbc n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tbc n SER 16 N 0.72 0.00 0.16 1.61 2.88 -1.26 -3.85 113.62 113.87 1tbc n SER 16 Ca -0.08 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1tbc n SER 16 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1tbc n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tbc n GLN 17 N 0.00 0.00 0.30 -1.46 6.02 -1.26 -3.89 117.38 117.09 1tbc n GLN 17 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.16 1tbc n GLN 17 Cb 0.46 0.00 0.95 0.00 1.02 0.00 0.00 30.24 32.67 1tbc n GLN 17 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1tbc h PRO 18 N 0.00 0.00 -0.47 -1.09 0.13 -1.96 -1.16 132.00 127.45 1tbc h PRO 18 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1tbc h PRO 18 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1tbc h PRO 18 CO 0.00 0.03 -1.01 0.36 -0.23 0.00 0.00 178.00 177.14 1tbc n LYS 19 N -3.55 2.11 0.00 0.86 2.85 -1.26 -4.07 118.16 115.09 1tbc n LYS 19 Ca -0.03 -3.57 0.00 0.00 -1.05 0.00 0.00 58.31 53.66 1tbc n LYS 19 Cb 0.12 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 1tbc n LYS 19 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1tbc n THR 20 N -0.57 0.00 0.63 0.58 -1.04 -0.99 -4.84 114.28 108.06 1tbc n THR 20 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1tbc n THR 20 Cb 0.87 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 1tbc n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tbc n ALA 21 N -2.42 2.02 -2.00 2.41 0.00 -0.47 -4.74 120.51 115.30 1tbc n ALA 21 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1tbc n ALA 21 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1tbc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tbc h ASN 23 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -3.48 115.58 110.24 1tbc h ASN 23 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.05 1tbc h ASN 23 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.32 1tbc h ASN 23 CO 0.32 0.41 0.00 -2.11 -0.00 0.00 0.00 177.43 176.04 1tbc n ARG 24 N -3.49 0.00 -3.16 4.14 1.85 -1.26 -5.06 116.66 109.68 1tbc n ARG 24 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 1tbc n ARG 24 Cb 0.55 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.03 1tbc n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tbc n HIS 26 N -3.51 0.00 0.74 0.00 1.44 -1.26 -4.93 115.22 107.69 1tbc n HIS 26 Ca -0.21 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.61 1tbc n HIS 26 Cb 0.64 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.77 1tbc n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tbc h LYS 28 N 0.00 -0.12 0.00 0.00 3.64 -1.97 -3.38 116.57 114.75 1tbc h LYS 28 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1tbc h LYS 28 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1tbc h LYS 28 CO 0.00 0.10 -1.42 0.36 -2.27 0.00 0.00 179.45 176.22 1tbc n LYS 29 N -4.84 0.61 0.00 1.90 0.00 -1.26 -4.15 118.16 110.41 1tbc n LYS 29 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1tbc n LYS 29 Cb 0.14 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 1tbc n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tbc n TYR 32 N 1.55 -1.44 -0.77 0.00 4.11 -1.24 -4.92 117.16 114.45 1tbc n TYR 32 Ca 0.19 -2.37 0.00 0.00 -0.00 0.00 0.00 57.90 55.71 1tbc n TYR 32 Cb 0.55 0.94 0.00 0.00 -0.00 0.00 0.00 39.34 40.83 1tbc n TYR 32 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1tbc n HIS 33 N -0.18 0.00 -2.92 -3.48 8.25 -1.26 -4.22 115.22 111.41 1tbc n HIS 33 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1tbc n HIS 33 Cb 0.79 -0.94 0.01 0.00 1.12 0.00 0.00 29.99 30.97 1tbc n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbc n GLN 35 N 0.41 0.32 -2.90 0.00 1.13 -1.26 -4.83 117.38 110.24 1tbc n GLN 35 Ca 0.03 0.08 -0.05 0.00 -1.94 0.00 0.00 57.00 55.12 1tbc n GLN 35 Cb 0.29 -1.23 0.02 0.00 0.11 0.00 0.00 30.24 29.44 1tbc n GLN 35 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1tbc n VAL 36 N -2.95 -8.59 -3.65 5.09 0.31 -1.26 -3.84 118.33 103.44 1tbc n VAL 36 Ca -0.23 -0.58 -0.28 0.00 -0.01 0.00 0.00 64.34 63.24 1tbc n VAL 36 Cb 0.74 -6.30 0.04 0.00 -0.91 0.00 0.00 33.84 27.41 1tbc n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tbc n PHE 38 N -4.09 0.00 -0.18 0.00 -1.74 -1.25 -3.06 117.46 107.14 1tbc n PHE 38 Ca -0.12 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.79 1tbc n PHE 38 Cb 0.61 0.00 0.28 0.00 1.52 0.00 0.00 39.48 41.89 1tbc n PHE 38 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1tbc h ILE 39 N 0.00 1.16 -3.80 1.97 3.07 -1.85 -2.14 117.51 115.92 1tbc h ILE 39 Ca 0.00 -0.32 -0.68 0.00 1.55 0.00 0.00 64.86 65.41 1tbc h ILE 39 Cb 0.00 0.15 -0.20 0.00 -0.27 0.00 0.00 36.82 36.51 1tbc h ILE 39 CO 0.00 0.17 -0.75 -0.89 -1.05 0.00 0.00 178.15 175.63 1tbc s THR 40 N -5.78 3.25 0.01 0.16 2.01 -1.26 -2.91 115.64 111.12 1tbc s THR 40 Ca -0.10 -0.92 0.32 0.00 0.31 0.00 0.00 61.69 61.30 1tbc s THR 40 Cb 0.18 -2.38 0.37 0.00 0.01 0.00 0.00 72.50 70.67 1tbc s THR 40 CO 0.77 0.40 1.95 0.07 -0.69 0.00 0.00 174.62 177.12 1tbc h LYS 41 N 4.64 0.00 0.00 4.92 2.10 -1.97 -2.83 116.57 123.42 1tbc h LYS 41 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1tbc h LYS 41 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1tbc h LYS 41 CO 0.51 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.37 1tbc n GLY 42 N -0.01 -0.44 2.36 0.07 0.00 -1.26 -4.83 105.19 101.08 1tbc n GLY 42 Ca 0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1tbc n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tbc n LEU 43 N -0.91 -1.69 -1.41 0.99 4.32 -1.07 -1.93 117.00 115.30 1tbc n LEU 43 Ca 0.09 0.07 -0.18 0.00 -0.02 0.00 0.00 56.01 55.96 1tbc n LEU 43 Cb 0.04 -2.51 -0.08 0.00 -1.62 0.00 0.00 43.42 39.25 1tbc n LEU 43 CO 0.07 -0.32 -0.17 0.61 -1.22 0.00 0.00 177.39 176.35 1tbc n GLY 44 N -0.99 1.78 0.16 -0.72 0.00 -1.26 -4.58 105.19 99.58 1tbc n GLY 44 Ca -0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1tbc n GLY 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1tbc h ILE 45 N 0.00 0.74 0.00 -0.61 -0.00 -1.65 -3.44 117.51 112.56 1tbc h ILE 45 Ca -0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.47 1tbc h ILE 45 Cb 1.24 0.74 -0.01 0.00 -0.00 0.00 0.00 36.82 38.79 1tbc h ILE 45 CO 0.55 0.00 -0.02 -1.54 -0.00 0.00 0.00 178.15 177.14 1tbc n SER 46 N -5.23 -0.07 0.06 2.16 3.41 -1.26 -4.99 113.62 107.69 1tbc n SER 46 Ca -0.08 -0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1tbc n SER 46 Cb 0.16 0.02 0.49 0.00 -0.26 0.00 0.00 64.21 64.61 1tbc n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tbc n TYR 47 N 0.00 0.50 0.00 7.33 0.18 -1.26 -4.88 117.16 119.03 1tbc n TYR 47 Ca -0.02 0.16 0.00 0.00 1.88 0.00 0.00 57.90 59.92 1tbc n TYR 47 Cb 0.28 -0.75 0.00 0.00 -0.38 0.00 0.00 39.34 38.49 1tbc n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1tbc n GLY 48 N 1.14 0.65 3.70 -7.48 0.00 -1.26 -5.11 105.19 96.83 1tbc n GLY 48 Ca 0.06 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1tbc n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tbc s ARG 49 N -0.74 1.33 -0.00 1.61 0.52 -1.26 -4.98 118.95 115.44 1tbc s ARG 49 Ca 0.00 1.38 0.02 0.00 -0.52 0.00 0.00 55.73 56.61 1tbc s ARG 49 Cb 0.00 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 1tbc s ARG 49 CO 0.00 -2.36 0.06 0.36 0.02 0.00 0.00 175.30 173.39 1tbc n LYS 50 N -4.03 6.30 0.00 3.54 0.00 -1.26 -5.02 118.16 117.69 1tbc n LYS 50 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1tbc n LYS 50 Cb 0.53 -0.59 0.00 0.00 -0.00 0.00 0.00 35.03 34.97 1tbc n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1tbc n LYS 51 N -1.05 0.00 0.00 -1.58 4.76 -1.26 -4.43 118.16 114.60 1tbc n LYS 51 Ca 0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.60 1tbc n LYS 51 Cb 0.02 -0.09 0.89 0.00 -1.84 0.00 0.00 35.03 34.01 1tbc n LYS 51 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1tbc n ARG 52 N 0.00 0.87 0.18 1.97 5.12 -1.26 -3.72 116.66 119.82 1tbc n ARG 52 Ca 0.00 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.10 1tbc n ARG 52 Cb 0.00 -1.50 0.81 0.00 -1.16 0.00 0.00 32.46 30.61 1tbc n ARG 52 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1tbc h ARG 53 N 0.00 0.00 -0.56 5.56 -0.00 -1.99 -0.68 114.38 116.71 1tbc h ARG 53 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 1tbc h ARG 53 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.00 1tbc h ARG 53 CO 0.00 0.00 0.24 1.96 -0.00 0.00 0.00 179.97 182.17 1tbc h GLN 54 N 0.00 0.81 -1.25 0.08 4.20 -1.92 -3.44 115.11 113.58 1tbc h GLN 54 Ca 0.11 -0.11 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 1tbc h GLN 54 Cb 0.71 -0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.19 1tbc h GLN 54 CO -0.00 0.65 -0.37 0.54 -0.67 0.00 0.00 178.83 178.98 1tbc n ARG 55 N -4.34 -1.45 -2.69 1.46 1.74 -0.26 -4.75 116.66 106.36 1tbc n ARG 55 Ca 0.05 1.12 -0.03 0.00 -0.77 0.00 0.00 57.85 58.22 1tbc n ARG 55 Cb 0.15 -5.50 0.12 0.00 -1.02 0.00 0.00 32.46 26.21 1tbc n ARG 55 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1tbc n ARG 56 N -2.33 1.38 -0.20 5.56 1.85 -1.26 -4.99 116.66 116.66 1tbc n ARG 56 Ca -0.20 -1.60 0.01 0.00 -1.00 0.00 0.00 57.85 55.06 1tbc n ARG 56 Cb 0.64 0.10 0.12 0.00 -1.05 0.00 0.00 32.46 32.26 1tbc n ARG 56 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1tbc h ARG 57 N 1.37 0.34 0.00 2.89 9.65 -1.95 0.13 114.38 126.82 1tbc h ARG 57 Ca -0.38 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1tbc h ARG 57 Cb 1.29 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1tbc h ARG 57 CO -0.12 0.23 0.00 -0.35 2.80 0.00 0.00 179.97 182.53 1tbc n PRO 58 N -5.05 0.09 -1.72 0.20 -0.04 -1.26 -4.82 135.00 122.41 1tbc n PRO 58 Ca 0.09 0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 63.51 1tbc n PRO 58 Cb 0.30 -1.64 0.06 0.00 -0.04 0.00 0.00 33.50 32.18 1tbc n PRO 58 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1tbc s SER 59 N -3.54 5.15 0.00 3.54 0.01 0.03 -4.90 113.70 114.00 1tbc s SER 59 Ca 0.08 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1tbc s SER 59 Cb 0.11 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1tbc s SER 59 CO 0.38 -1.55 0.00 1.67 0.41 0.00 0.00 173.24 174.15 1tbc n GLN 60 N -3.16 0.00 -1.62 12.44 7.27 -1.26 -5.01 117.38 126.04 1tbc n GLN 60 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1tbc n GLN 60 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1tbc n GLN 60 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tbc n GLY 61 N 0.00 0.57 2.38 1.69 0.00 -1.26 -3.38 105.19 105.20 1tbc n GLY 61 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1tbc n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tbc n GLY 62 N -0.68 0.28 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.67 1tbc n GLY 62 Ca 0.00 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1tbc n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tbc n GLN 63 N -2.61 0.65 -2.72 1.61 10.64 -1.22 -4.55 117.38 119.18 1tbc n GLN 63 Ca -0.20 0.01 -0.07 0.00 -1.83 0.00 0.00 57.00 54.92 1tbc n GLN 63 Cb 0.63 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.54 1tbc n GLN 63 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1tbc n THR 64 N -1.14 -7.29 -1.13 -0.39 -1.04 -1.26 0.29 114.28 102.32 1tbc n THR 64 Ca 0.17 -0.67 -0.13 0.00 -2.04 0.00 0.00 64.05 61.39 1tbc n THR 64 Cb 0.16 -5.76 0.10 0.00 -1.82 0.00 0.00 70.33 63.00 1tbc n THR 64 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1tbc n HIS 65 N -2.29 -3.75 0.07 -1.42 8.25 -1.25 -4.57 115.22 110.26 1tbc n HIS 65 Ca -0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 1tbc n HIS 65 Cb 0.55 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1tbc n HIS 65 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tbc n GLN 66 N -2.49 0.00 0.12 -0.41 3.00 -1.26 -4.78 117.38 111.55 1tbc n GLN 66 Ca 0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 1tbc n GLN 66 Cb 0.25 -0.06 -0.14 0.00 0.00 0.00 0.00 30.24 30.29 1tbc n GLN 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1tbc h ASP 67 N 0.00 0.80 0.31 1.08 3.58 -1.91 -2.47 116.42 117.81 1tbc h ASP 67 Ca 0.00 -0.81 -0.19 0.00 0.42 0.00 0.00 57.03 56.45 1tbc h ASP 67 Cb 0.05 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 1tbc h ASP 67 CO 0.00 1.62 -0.79 1.55 -2.88 0.00 0.00 179.24 178.74 1tbc h PRO 68 N 0.19 0.38 -1.13 0.28 0.13 -1.91 -3.36 132.00 126.58 1tbc h PRO 68 Ca -0.21 -0.34 -0.46 0.00 -0.87 0.00 0.00 66.00 64.11 1tbc h PRO 68 Cb 2.04 0.08 -0.41 0.00 0.13 0.00 0.00 31.00 32.84 1tbc h PRO 68 CO 0.25 1.00 -0.97 0.44 -0.23 0.00 0.00 178.00 178.49 1tbc n ILE 69 N -3.80 1.73 0.64 -3.56 -0.00 -1.26 -4.85 119.36 108.26 1tbc n ILE 69 Ca -0.05 -3.91 0.06 0.00 -0.00 0.00 0.00 62.75 58.85 1tbc n ILE 69 Cb 0.75 -0.23 0.34 0.00 -0.00 0.00 0.00 39.64 40.50 1tbc n ILE 69 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1tbc n PRO 70 N -0.35 0.22 0.05 6.28 -0.04 -0.93 -2.78 135.00 137.45 1tbc n PRO 70 Ca 0.24 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1tbc n PRO 70 Cb 0.77 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.59 1tbc n PRO 70 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1tbc h LYS 71 N 0.00 0.12 -2.74 0.54 2.10 -1.88 -3.49 116.57 111.22 1tbc h LYS 71 Ca 0.00 -0.21 0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1tbc h LYS 71 Cb 0.11 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.46 1tbc h LYS 71 CO 0.00 0.97 0.35 1.14 -2.00 0.00 0.00 179.45 179.91 1tbc s GLN 72 N -2.65 1.62 0.04 0.07 1.03 -1.12 -5.06 119.66 113.59 1tbc s GLN 72 Ca -0.04 -0.94 -0.30 0.00 0.04 0.00 0.00 55.36 54.12 1tbc s GLN 72 Cb 0.08 0.52 -0.18 0.00 0.03 0.00 0.00 33.01 33.47 1tbc s GLN 72 CO 0.84 -0.75 1.43 -1.00 -2.54 0.00 0.00 175.29 173.27 1tbc h PRO 73 N 2.00 -0.80 -3.82 9.60 0.13 -1.95 -3.46 132.00 133.70 1tbc h PRO 73 Ca -0.23 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1tbc h PRO 73 Cb 1.24 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1tbc h PRO 73 CO 0.28 -0.49 -0.93 -1.13 -0.23 0.00 0.00 178.00 175.49 1tbc n SER 74 N -5.40 -8.87 0.00 1.44 3.41 -1.26 -4.65 113.62 98.29 1tbc n SER 74 Ca -0.13 1.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1tbc n SER 74 Cb 0.36 -4.93 0.00 0.00 -0.26 0.00 0.00 64.21 59.37 1tbc n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1tbc n SER 75 N -0.67 0.00 -0.06 4.04 2.88 -1.26 -4.47 113.62 114.08 1tbc n SER 75 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1tbc n SER 75 Cb 0.00 -0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.34 1tbc n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tbc n GLN 76 N -0.14 1.51 0.15 -1.46 0.00 -1.25 0.85 117.38 117.03 1tbc n GLN 76 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 57.00 57.00 1tbc n GLN 76 Cb 0.00 -1.37 0.12 0.00 0.00 0.00 0.00 30.24 28.99 1tbc n GLN 76 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1tbc h PRO 77 N 0.00 0.00 0.00 2.61 0.13 -1.79 -3.35 132.00 129.60 1tbc h PRO 77 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1tbc h PRO 77 Cb 1.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.88 1tbc h PRO 77 CO 0.02 0.51 -0.38 2.89 -0.23 0.00 0.00 178.00 180.81 1tbc n ARG 78 N -3.35 1.35 0.00 0.86 1.85 -1.26 -4.80 116.66 111.31 1tbc n ARG 78 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1tbc n ARG 78 Cb 0.67 -0.69 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 1tbc n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1tbc n GLY 79 N 1.56 0.85 3.63 2.89 0.00 -0.96 -4.87 105.19 108.29 1tbc n GLY 79 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1tbc n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tbc s ASP 80 N -1.00 6.57 -0.21 1.61 1.11 0.25 -4.75 116.67 120.25 1tbc s ASP 80 Ca 0.00 1.21 -0.29 0.00 0.18 0.00 0.00 52.55 53.65 1tbc s ASP 80 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1tbc s ASP 80 CO 0.00 -1.16 1.89 -2.16 1.18 0.00 0.00 175.17 174.92 1tbc s PRO 81 N 4.37 3.54 0.33 8.23 0.04 -1.26 -3.90 135.00 146.35 1tbc s PRO 81 Ca 0.59 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1tbc s PRO 81 Cb -0.17 -4.19 0.58 0.00 0.04 0.00 0.00 34.50 30.75 1tbc s PRO 81 CO 0.25 -1.62 1.85 1.79 0.04 0.00 0.00 177.00 179.31 1tbc h THR 82 N 6.53 1.21 0.00 1.26 1.35 -1.80 -3.48 112.91 117.98 1tbc h THR 82 Ca -0.38 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1tbc h THR 82 Cb 1.19 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1tbc h THR 82 CO 0.99 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 177.16 1tbc n GLY 83 N -0.79 -1.46 0.70 5.82 0.00 -1.25 -4.45 105.19 103.76 1tbc n GLY 83 Ca 0.01 0.52 0.13 0.00 0.00 0.00 0.00 46.02 46.67 1tbc n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tbc n PRO 84 N 0.00 1.88 -0.64 1.61 -0.04 -1.26 -4.28 135.00 132.28 1tbc n PRO 84 Ca 0.00 -1.41 -0.04 0.00 -0.04 0.00 0.00 63.50 62.00 1tbc n PRO 84 Cb 0.00 -1.47 0.19 0.00 -0.04 0.00 0.00 33.50 32.17 1tbc n PRO 84 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tbc n LYS 85 N 0.67 2.65 0.00 0.54 4.76 -1.26 -5.12 118.16 120.40 1tbc n LYS 85 Ca 0.15 -1.89 0.14 0.00 -2.87 0.00 0.00 58.31 53.84 1tbc n LYS 85 Cb 0.49 -1.86 0.85 0.00 -1.84 0.00 0.00 35.03 32.67 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42