#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 -5.01 0.00 1.45 2.03 -1.05 -4.96 116.55 109.00 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 -2.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.55 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 -4.39 0.00 0.06 -0.67 -0.04 -1.26 -4.75 135.00 123.96 1tbc n PRO 3 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 1tbc n PRO 3 Cb 0.58 -0.08 -0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.85 0.00 0.52 2.07 -1.93 -3.47 116.25 114.29 1tbc h VAL 4 Ca 0.00 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1tbc h VAL 4 Cb 0.00 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1tbc h VAL 4 CO 0.00 0.21 0.00 0.47 0.02 0.00 0.00 177.57 178.27 1tbc n ASP 5 N -4.95 0.00 -3.01 0.57 8.00 -1.26 -5.13 116.55 110.77 1tbc n ASP 5 Ca -0.08 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.34 1tbc n ASP 5 Cb 0.26 0.38 0.04 0.00 -0.02 0.00 0.00 41.12 41.79 1tbc n ASP 5 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1tbc n PRO 6 N -2.34 0.55 -0.03 -0.24 -0.04 -1.26 -4.02 135.00 127.62 1tbc n PRO 6 Ca 0.00 -1.08 -0.13 0.00 -0.04 0.00 0.00 63.50 62.25 1tbc n PRO 6 Cb 0.00 -0.18 -0.11 0.00 -0.04 0.00 0.00 33.50 33.17 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 -0.12 -0.01 0.00 3.54 2.35 -1.50 -3.36 115.58 116.49 1tbc h ASN 7 Ca -0.11 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1tbc h ASN 7 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1tbc h ASN 7 CO 0.14 0.67 -0.38 2.30 -1.65 0.00 0.00 177.43 178.51 1tbc n ILE 8 N -4.77 0.17 -3.56 2.81 -0.00 -1.26 -4.89 119.36 107.86 1tbc n ILE 8 Ca -0.09 -0.21 -0.22 0.00 -0.00 0.00 0.00 62.75 62.24 1tbc n ILE 8 Cb 0.33 0.51 0.02 0.00 -0.00 0.00 0.00 39.64 40.50 1tbc n ILE 8 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1tbc n GLU 9 N -0.13 -1.32 -1.39 6.28 2.13 -1.26 -4.84 120.64 120.12 1tbc n GLU 9 Ca 0.01 0.80 -0.24 0.00 0.66 0.00 0.00 57.16 58.40 1tbc n GLU 9 Cb 0.66 -4.00 -0.08 0.00 0.27 0.00 0.00 31.44 28.29 1tbc n GLU 9 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1tbc n PRO 10 N -3.13 2.39 -1.32 5.31 -0.04 -1.26 -4.51 135.00 132.44 1tbc n PRO 10 Ca -0.13 -2.06 -0.25 0.00 -0.04 0.00 0.00 63.50 61.02 1tbc n PRO 10 Cb 0.60 -2.13 0.12 0.00 -0.04 0.00 0.00 33.50 32.04 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 1.33 2.75 -3.08 0.54 7.02 -1.26 -4.66 117.44 120.07 1tbc n TRP 11 Ca 0.48 -2.37 -0.17 0.00 -1.02 0.00 0.00 57.50 54.42 1tbc n TRP 11 Cb 0.63 -0.99 -0.04 0.00 -2.42 0.00 0.00 31.31 28.48 1tbc n TRP 11 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1tbc n ASN 12 N -0.98 -1.57 -4.56 -0.99 0.23 -1.10 -4.37 115.26 101.92 1tbc n ASN 12 Ca 0.54 -2.72 -0.34 0.00 -0.53 0.00 0.00 54.58 51.53 1tbc n ASN 12 Cb 1.03 0.43 -0.11 0.00 -2.08 0.00 0.00 39.78 39.05 1tbc n ASN 12 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1tbc s HIS 13 N 0.15 3.01 -0.48 -2.53 3.76 -0.93 -4.97 115.29 113.30 1tbc s HIS 13 Ca 0.32 -0.09 0.25 0.00 -0.15 0.00 0.00 55.06 55.40 1tbc s HIS 13 Cb 0.08 -1.83 0.97 0.00 1.11 0.00 0.00 32.58 32.91 1tbc s HIS 13 CO -0.15 0.20 1.75 -1.00 -0.85 0.00 0.00 174.74 174.69 1tbc h PRO 14 N 5.84 0.00 -0.43 8.40 0.13 -1.86 -3.39 132.00 140.70 1tbc h PRO 14 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1tbc h PRO 14 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1tbc h PRO 14 CO 0.57 0.00 -0.11 0.41 -0.23 0.00 0.00 178.00 178.64 1tbc n GLY 15 N 0.31 0.52 0.23 1.56 0.00 -1.26 -3.45 105.19 103.10 1tbc n GLY 15 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.14 0.00 0.05 1.61 2.88 -1.26 -4.26 113.62 113.78 1tbc n SER 16 Ca -0.05 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 1tbc n SER 16 Cb 0.32 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.03 -1.46 6.02 -1.26 -3.74 117.38 116.91 1tbc n GLN 17 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1tbc n GLN 17 Cb 0.54 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.70 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 0.09 -0.59 -1.09 0.13 -1.97 -3.25 132.00 125.33 1tbc h PRO 18 Ca 0.00 -0.07 0.09 0.00 -0.87 0.00 0.00 66.00 65.15 1tbc h PRO 18 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 1tbc h PRO 18 CO 0.00 0.71 0.21 0.87 -0.23 0.00 0.00 178.00 179.56 1tbc h LYS 19 N -0.51 0.37 0.00 0.86 1.57 -1.93 -3.44 116.57 113.49 1tbc h LYS 19 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1tbc h LYS 19 Cb 0.72 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1tbc h LYS 19 CO 0.02 0.24 0.00 -2.37 -0.57 0.00 0.00 179.45 176.77 1tbc n THR 20 N -5.01 0.00 -2.22 -0.16 5.66 -1.23 -4.49 114.28 106.83 1tbc n THR 20 Ca 0.08 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.90 1tbc n THR 20 Cb 0.27 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.02 1tbc n THR 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tbc n ALA 21 N -0.35 -0.59 -0.19 1.79 0.00 -1.23 -0.26 120.51 119.68 1tbc n ALA 21 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1tbc n ALA 21 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 7.08 -1.02 -3.45 115.58 118.19 1tbc h ASN 23 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1tbc h ASN 23 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1tbc h ASN 23 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 177.43 175.89 1tbc n ARG 24 N -2.82 0.00 -2.40 4.14 1.74 -1.23 -5.07 116.66 111.01 1tbc n ARG 24 Ca 0.04 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 1tbc n ARG 24 Cb 0.46 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.93 1tbc n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tbc n HIS 26 N -1.90 -3.67 0.27 0.00 -0.00 -1.26 -4.94 115.22 103.72 1tbc n HIS 26 Ca -0.07 0.96 0.14 0.00 -0.00 0.00 0.00 57.72 58.76 1tbc n HIS 26 Cb 0.54 2.57 0.79 0.00 -0.00 0.00 0.00 29.99 33.89 1tbc n HIS 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1tbc h LYS 28 N 0.00 0.87 0.00 0.00 3.64 -1.92 -3.31 116.57 115.85 1tbc h LYS 28 Ca -0.00 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1tbc h LYS 28 Cb 0.30 -0.11 -0.26 0.00 -0.41 0.00 0.00 32.23 31.75 1tbc h LYS 28 CO 0.01 0.84 -0.85 0.36 -2.27 0.00 0.00 179.45 177.54 1tbc n LYS 29 N -4.22 0.26 -0.10 1.90 0.00 -1.06 -4.66 118.16 110.28 1tbc n LYS 29 Ca 0.03 -2.04 -0.10 0.00 -0.00 0.00 0.00 58.31 56.21 1tbc n LYS 29 Cb 0.29 -0.35 -0.07 0.00 -0.00 0.00 0.00 35.03 34.90 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 0.84 -1.22 -0.94 0.00 4.11 -1.26 -4.95 117.16 113.74 1tbc n TYR 32 Ca -0.02 -1.94 0.00 0.00 -0.00 0.00 0.00 57.90 55.94 1tbc n TYR 32 Cb 0.73 1.05 0.00 0.00 -0.00 0.00 0.00 39.34 41.12 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 -1.04 0.00 -3.19 -3.48 8.25 -1.26 -3.83 115.22 110.67 1tbc n HIS 33 Ca -0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 1tbc n HIS 33 Cb 0.85 -1.91 0.03 0.00 1.12 0.00 0.00 29.99 30.08 1tbc n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbc h GLN 35 N 2.05 0.00 -5.35 0.00 1.08 -1.80 -3.46 115.11 107.63 1tbc h GLN 35 Ca -0.30 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.64 1tbc h GLN 35 Cb 1.21 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 28.82 1tbc h GLN 35 CO 0.22 0.26 -0.79 0.28 -0.95 0.00 0.00 178.83 177.85 1tbc n VAL 36 N -2.88 -7.82 -3.85 -0.54 0.31 -1.26 -3.63 118.33 98.65 1tbc n VAL 36 Ca -0.08 -1.04 -0.33 0.00 -0.01 0.00 0.00 64.34 62.88 1tbc n VAL 36 Cb 0.81 -5.90 0.01 0.00 -0.91 0.00 0.00 33.84 27.85 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 -3.72 0.00 -0.27 0.00 -1.74 -1.24 -3.70 117.46 106.79 1tbc n PHE 38 Ca -0.20 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.66 1tbc n PHE 38 Cb 0.62 0.00 0.13 0.00 1.52 0.00 0.00 39.48 41.75 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 1.24 -3.41 1.97 3.07 -1.87 -2.34 117.51 116.17 1tbc h ILE 39 Ca 0.00 -0.67 -0.68 0.00 1.55 0.00 0.00 64.86 65.06 1tbc h ILE 39 Cb 0.00 0.21 -0.16 0.00 -0.27 0.00 0.00 36.82 36.61 1tbc h ILE 39 CO 0.00 0.29 -0.64 -0.89 -1.05 0.00 0.00 178.15 175.86 1tbc s THR 40 N -5.67 4.14 0.16 0.16 2.01 -1.26 -2.55 115.64 112.63 1tbc s THR 40 Ca -0.12 -0.39 0.33 0.00 0.31 0.00 0.00 61.69 61.82 1tbc s THR 40 Cb 0.17 -2.76 0.37 0.00 0.01 0.00 0.00 72.50 70.29 1tbc s THR 40 CO 0.82 0.54 1.99 0.07 -0.69 0.00 0.00 174.62 177.36 1tbc h LYS 41 N 4.96 0.00 0.00 4.92 2.10 -1.96 -2.84 116.57 123.75 1tbc h LYS 41 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1tbc h LYS 41 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1tbc h LYS 41 CO 0.55 0.03 0.00 0.41 -2.00 0.00 0.00 179.45 178.44 1tbc n GLY 42 N -0.05 -0.41 3.07 0.07 0.00 -1.26 -4.83 105.19 101.77 1tbc n GLY 42 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.08 -2.91 -1.31 0.99 4.77 -1.07 -2.25 117.00 114.14 1tbc n LEU 43 Ca 0.07 -0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 1tbc n LEU 43 Cb 0.05 -2.59 -0.06 0.00 -2.33 0.00 0.00 43.42 38.48 1tbc n LEU 43 CO 0.06 0.41 -0.14 0.61 -1.33 0.00 0.00 177.39 177.00 1tbc n GLY 44 N -1.62 1.44 0.17 -0.72 0.00 -1.26 -4.53 105.19 98.66 1tbc n GLY 44 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.63 0.00 -0.61 -0.00 -1.75 -3.42 117.51 112.36 1tbc h ILE 45 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.55 1tbc h ILE 45 Cb 1.09 0.63 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 1tbc h ILE 45 CO 0.45 0.00 0.00 -1.54 -0.00 0.00 0.00 178.15 177.06 1tbc n SER 46 N -5.29 0.00 0.22 2.16 3.41 -1.26 -4.97 113.62 107.89 1tbc n SER 46 Ca 0.00 -0.40 0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1tbc n SER 46 Cb 0.20 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.41 1tbc n SER 46 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1tbc h TYR 47 N 0.00 0.00 0.00 7.33 -0.00 -1.94 -3.47 116.97 118.89 1tbc h TYR 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1tbc h TYR 47 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.13 1tbc h TYR 47 CO -0.11 0.10 0.00 0.41 -0.00 0.00 0.00 178.16 178.56 1tbc n GLY 48 N 0.87 0.71 3.83 0.10 0.00 -1.26 -5.12 105.19 104.31 1tbc n GLY 48 Ca 0.03 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1tbc n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tbc s ARG 49 N -0.12 3.67 -0.01 1.61 1.70 -1.26 -4.98 118.95 119.56 1tbc s ARG 49 Ca 0.00 1.06 0.07 0.00 -0.47 0.00 0.00 55.73 56.39 1tbc s ARG 49 Cb 0.00 -2.09 -0.10 0.00 -0.57 0.00 0.00 34.95 32.19 1tbc s ARG 49 CO 0.00 -0.51 0.17 0.36 -1.08 0.00 0.00 175.30 174.24 1tbc n LYS 50 N -1.80 0.73 -1.21 3.89 0.00 -1.26 -5.00 118.16 113.51 1tbc n LYS 50 Ca 0.07 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.31 58.24 1tbc n LYS 50 Cb 0.53 -1.12 -0.04 0.00 -0.00 0.00 0.00 35.03 34.40 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 -1.67 -1.72 -0.00 -1.58 4.76 -1.26 -4.77 118.16 111.92 1tbc n LYS 51 Ca -0.01 0.77 0.05 0.00 -2.87 0.00 0.00 58.31 56.25 1tbc n LYS 51 Cb 0.17 -5.09 -0.07 0.00 -1.84 0.00 0.00 35.03 28.20 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 -0.60 2.29 0.21 1.97 5.12 -1.26 -4.50 116.66 119.89 1tbc n ARG 52 Ca -0.09 -0.04 0.18 0.00 -1.93 0.00 0.00 57.85 55.97 1tbc n ARG 52 Cb 0.53 -1.10 0.84 0.00 -1.16 0.00 0.00 32.46 31.57 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 -0.74 5.56 -0.00 -2.02 -1.83 114.38 115.36 1tbc h ARG 53 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 60.00 1tbc h ARG 53 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.28 1tbc h ARG 53 CO 0.00 0.00 0.47 1.96 -0.00 0.00 0.00 179.97 182.40 1tbc h GLN 54 N 0.00 0.90 -0.02 0.08 4.20 -1.99 -3.46 115.11 114.82 1tbc h GLN 54 Ca 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1tbc h GLN 54 Cb 0.54 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1tbc h GLN 54 CO -0.00 0.60 -0.01 0.54 -0.67 0.00 0.00 178.83 179.29 1tbc n ARG 55 N -4.62 -1.59 -1.88 1.46 1.74 -0.69 -4.77 116.66 106.31 1tbc n ARG 55 Ca 0.08 0.42 -0.01 0.00 -0.77 0.00 0.00 57.85 57.57 1tbc n ARG 55 Cb 0.07 -4.63 0.06 0.00 -1.02 0.00 0.00 32.46 26.94 1tbc n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1tbc n ARG 56 N 0.14 1.34 -0.32 5.56 1.74 -1.26 -4.88 116.66 118.97 1tbc n ARG 56 Ca -0.00 -3.02 0.02 0.00 -0.77 0.00 0.00 57.85 54.08 1tbc n ARG 56 Cb 0.41 -1.11 0.17 0.00 -1.02 0.00 0.00 32.46 30.90 1tbc n ARG 56 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1tbc h ARG 57 N 1.71 0.90 -0.12 5.56 9.65 -1.94 -0.58 114.38 129.56 1tbc h ARG 57 Ca -0.08 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1tbc h ARG 57 Cb 1.50 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1tbc h ARG 57 CO 0.20 0.60 0.00 -0.35 2.80 0.00 0.00 179.97 183.22 1tbc n PRO 58 N -4.65 1.49 -4.81 0.20 -0.04 -1.26 -4.71 135.00 121.21 1tbc n PRO 58 Ca 0.14 -0.73 -0.30 0.00 -0.04 0.00 0.00 63.50 62.56 1tbc n PRO 58 Cb 0.24 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.52 3.40 0.00 3.54 0.01 -0.23 -5.07 113.70 113.83 1tbc s SER 59 Ca 0.29 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1tbc s SER 59 Cb 0.15 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1tbc s SER 59 CO 0.23 0.26 0.00 0.00 0.41 0.00 0.00 173.24 174.14 1tbc n GLN 60 N 1.69 0.00 -1.07 12.44 6.02 -1.26 -4.93 117.38 130.27 1tbc n GLN 60 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1tbc n GLN 60 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 1tbc n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tbc n GLY 61 N 0.00 0.32 2.30 1.08 0.00 -1.26 -4.18 105.19 103.44 1tbc n GLY 61 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.83 1.09 0.17 -0.02 0.00 -1.25 -4.88 105.19 99.46 1tbc n GLY 62 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.53 1tbc n GLY 62 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tbc h GLN 63 N 0.00 0.00 -6.43 1.61 1.08 -1.86 -3.41 115.11 106.10 1tbc h GLN 63 Ca -0.22 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.50 1tbc h GLN 63 Cb 0.72 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1tbc h GLN 63 CO 0.31 0.34 -0.91 2.41 -0.95 0.00 0.00 178.83 180.04 1tbc n THR 64 N -3.19 -3.84 -0.25 -0.54 -1.04 -1.26 -2.19 114.28 101.96 1tbc n THR 64 Ca 0.03 -0.63 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1tbc n THR 64 Cb 0.67 -3.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.06 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 -4.37 -1.63 0.06 -1.42 8.25 -1.26 -4.31 115.22 110.54 1tbc n HIS 65 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1tbc n HIS 65 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.63 0.00 0.11 -0.41 3.00 -1.26 -4.63 117.38 113.56 1tbc n GLN 66 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1tbc n GLN 66 Cb 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 30.24 29.88 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 0.87 0.92 1.08 3.58 -1.89 -3.08 116.42 117.90 1tbc h ASP 67 Ca 0.00 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.60 1tbc h ASP 67 Cb 0.21 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1tbc h ASP 67 CO 0.00 1.64 -0.73 1.55 -2.88 0.00 0.00 179.24 178.83 1tbc h PRO 68 N 0.23 0.00 -0.05 0.28 0.13 -1.90 -3.37 132.00 127.31 1tbc h PRO 68 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1tbc h PRO 68 Cb 1.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 33.11 1tbc h PRO 68 CO 0.25 0.00 -0.17 1.51 -0.23 0.00 0.00 178.00 179.36 1tbc n ILE 69 N -2.30 2.07 0.73 -3.56 0.00 -1.26 -4.65 119.36 110.40 1tbc n ILE 69 Ca 0.02 -2.59 0.08 0.00 0.00 0.00 0.00 62.75 60.26 1tbc n ILE 69 Cb 0.47 -0.25 0.39 0.00 0.00 0.00 0.00 39.64 40.26 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 -1.24 0.21 -0.12 9.51 -0.04 -1.16 -2.68 135.00 139.48 1tbc n PRO 70 Ca 0.19 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1tbc n PRO 70 Cb 0.70 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1tbc n PRO 70 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1tbc h LYS 71 N 0.00 0.60 0.00 0.54 6.56 -1.90 -3.48 116.57 118.89 1tbc h LYS 71 Ca 0.00 -0.18 0.18 0.00 -1.06 0.00 0.00 60.65 59.59 1tbc h LYS 71 Cb 0.15 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.72 1tbc h LYS 71 CO 0.00 0.70 0.46 0.00 -2.06 0.00 0.00 179.45 178.55 1tbc n GLN 72 N -4.53 0.05 -0.13 3.15 -0.00 -1.09 -5.02 117.38 109.80 1tbc n GLN 72 Ca -0.02 -0.31 -0.11 0.00 -0.00 0.00 0.00 57.00 56.56 1tbc n GLN 72 Cb 0.25 0.56 -0.02 0.00 -0.00 0.00 0.00 30.24 31.03 1tbc n GLN 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1tbc h PRO 73 N 0.00 0.70 -4.73 2.61 0.13 -1.92 -3.46 132.00 125.32 1tbc h PRO 73 Ca -0.10 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1tbc h PRO 73 Cb 0.56 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1tbc h PRO 73 CO 0.14 0.81 -0.98 0.45 -0.23 0.00 0.00 178.00 178.19 1tbc n SER 74 N -4.43 -7.86 0.00 1.44 2.88 -1.26 -4.15 113.62 100.24 1tbc n SER 74 Ca -0.01 1.76 0.00 0.00 -1.33 0.00 0.00 58.87 59.29 1tbc n SER 74 Cb 0.31 -4.95 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 1tbc n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tbc n SER 75 N 1.86 0.00 -0.02 -3.46 2.88 -1.26 -3.89 113.62 109.73 1tbc n SER 75 Ca -0.05 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.32 1tbc n SER 75 Cb 0.08 -0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 1tbc n SER 75 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1tbc h GLN 76 N 0.18 0.72 0.00 -1.46 7.50 -1.84 0.28 115.11 120.50 1tbc h GLN 76 Ca 0.00 -0.60 0.00 0.00 0.50 0.00 0.00 58.65 58.55 1tbc h GLN 76 Cb 0.00 0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.66 1tbc h GLN 76 CO 0.00 1.21 0.00 -0.35 -1.50 0.00 0.00 178.83 178.19 1tbc n PRO 77 N -4.01 0.01 -2.30 1.46 -0.04 -0.61 -3.90 135.00 125.61 1tbc n PRO 77 Ca -0.08 0.09 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1tbc n PRO 77 Cb 0.71 -1.52 0.05 0.00 -0.04 0.00 0.00 33.50 32.71 1tbc n PRO 77 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1tbc n ARG 78 N -1.54 1.07 0.00 0.54 1.85 -1.19 -4.82 116.66 112.58 1tbc n ARG 78 Ca 0.06 -2.37 0.00 0.00 -1.00 0.00 0.00 57.85 54.54 1tbc n ARG 78 Cb 0.29 -0.55 0.00 0.00 -1.05 0.00 0.00 32.46 31.15 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 -0.51 2.99 3.77 2.89 0.00 0.99 -4.89 105.19 110.42 1tbc n GLY 79 Ca -0.03 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1tbc n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tbc s ASP 80 N 1.44 7.14 -1.08 1.61 -1.08 -1.23 -4.92 116.67 118.56 1tbc s ASP 80 Ca 0.00 2.11 -0.23 0.00 -0.52 0.00 0.00 52.55 53.90 1tbc s ASP 80 Cb 0.00 -2.61 -0.08 0.00 -1.46 0.00 0.00 42.92 38.78 1tbc s ASP 80 CO 0.00 -0.22 1.95 -2.16 0.52 0.00 0.00 175.17 175.26 1tbc s PRO 81 N -1.84 2.47 0.03 4.34 0.04 -1.26 -4.72 135.00 134.05 1tbc s PRO 81 Ca 0.49 -0.84 -0.21 0.00 0.04 0.00 0.00 61.00 60.48 1tbc s PRO 81 Cb -0.26 -5.17 -0.15 0.00 0.04 0.00 0.00 34.50 28.96 1tbc s PRO 81 CO 0.33 -3.83 1.36 1.79 0.04 0.00 0.00 177.00 176.69 1tbc h THR 82 N 6.57 1.33 0.00 1.26 1.35 -1.81 -3.49 112.91 118.12 1tbc h THR 82 Ca 0.17 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1tbc h THR 82 Cb 0.96 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1tbc h THR 82 CO 1.21 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 177.43 1tbc n GLY 83 N 0.09 -1.32 0.86 5.82 0.00 -1.22 -4.38 105.19 105.03 1tbc n GLY 83 Ca -0.06 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.58 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 2.18 -0.16 1.61 -0.04 -1.26 -4.20 135.00 133.13 1tbc n PRO 84 Ca 0.00 -1.72 0.06 0.00 -0.04 0.00 0.00 63.50 61.80 1tbc n PRO 84 Cb 0.00 -1.46 0.17 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 1.09 1.77 0.00 0.54 5.02 -1.26 -5.08 118.16 120.24 1tbc n LYS 85 Ca 0.15 -1.19 0.13 0.00 -2.02 0.00 0.00 58.31 55.38 1tbc n LYS 85 Cb 0.55 -1.27 0.80 0.00 -0.02 0.00 0.00 35.03 35.08 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27