#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd s GLN 2 N 0.00 0.84 0.00 1.43 2.00 -1.26 -5.17 119.66 117.50 2abd s GLN 2 Ca 0.00 -1.00 0.00 0.00 -2.00 0.00 0.00 55.36 52.36 2abd s GLN 2 Cb 0.00 -0.82 0.00 0.00 0.80 0.00 0.00 33.01 32.99 2abd s GLN 2 CO 0.00 0.18 0.00 0.00 -0.50 0.00 0.00 175.29 174.97 2abd n ALA 3 N 1.16 0.00 -0.25 1.58 0.00 -1.26 -4.95 120.51 116.79 2abd n ALA 3 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2abd n ALA 3 Cb 0.55 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.31 2abd n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2abd n GLU 4 N 0.00 2.82 -0.36 0.00 0.00 -1.26 -4.49 120.64 117.36 2abd n GLU 4 Ca 0.00 -2.53 0.01 0.00 0.00 0.00 0.00 57.16 54.64 2abd n GLU 4 Cb 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 31.44 29.89 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2abd n PHE 5 N 1.41 0.11 0.10 -1.84 7.35 -1.26 0.16 117.46 123.49 2abd n PHE 5 Ca 0.23 1.16 0.01 0.00 -0.76 0.00 0.00 57.45 58.09 2abd n PHE 5 Cb 0.64 -0.90 0.33 0.00 0.35 0.00 0.00 39.48 39.90 2abd n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2abd h ASP 6 N 0.00 0.25 -0.39 -2.13 3.32 -1.97 0.26 116.42 115.75 2abd h ASP 6 Ca 0.36 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 2abd h ASP 6 Cb 0.60 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2abd h ASP 6 CO -0.95 0.48 0.15 0.50 -1.72 0.00 0.00 179.24 177.70 2abd h LYS 7 N 0.23 0.58 0.50 3.56 1.63 0.13 0.19 116.57 123.39 2abd h LYS 7 Ca 0.04 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2abd h LYS 7 Cb 0.53 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2abd h LYS 7 CO 0.04 0.56 -0.29 0.00 -3.45 0.00 0.00 179.45 176.31 2abd h ALA 8 N 0.99 -0.74 -0.37 5.00 0.00 0.84 -2.17 119.26 122.82 2abd h ALA 8 Ca 0.13 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2abd h ALA 8 Cb 0.20 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2abd h ALA 8 CO -0.01 -0.93 -0.51 0.00 0.00 0.00 0.00 179.25 177.80 2abd h ALA 9 N -0.27 -0.67 -0.97 0.00 0.00 -0.12 0.32 119.26 117.56 2abd h ALA 9 Ca -0.06 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.05 2abd h ALA 9 Cb 0.59 1.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 2abd h ALA 9 CO 0.07 -0.99 0.56 0.93 0.00 0.00 0.00 179.25 179.82 2abd h GLU 10 N -0.40 0.70 0.69 0.00 5.08 -0.52 0.41 114.58 120.54 2abd h GLU 10 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2abd h GLU 10 Cb 0.61 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2abd h GLU 10 CO -0.57 0.46 -0.33 0.93 -1.00 0.00 0.00 179.01 178.50 2abd h GLU 11 N 0.72 -0.89 -0.47 2.33 5.08 -0.34 -2.30 114.58 118.71 2abd h GLU 11 Ca 0.55 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 59.03 2abd h GLU 11 Cb 0.85 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 2abd h GLU 11 CO -0.39 -0.56 0.17 -0.24 -1.00 0.00 0.00 179.01 176.99 2abd h VAL 12 N -1.13 0.86 -0.24 3.13 3.04 0.19 0.27 116.25 122.37 2abd h VAL 12 Ca -0.09 -0.12 0.07 0.00 -1.01 0.00 0.00 66.70 65.55 2abd h VAL 12 Cb 0.74 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 2abd h VAL 12 CO 0.15 0.06 0.34 0.11 -1.01 0.00 0.00 177.57 177.23 2abd h LYS 13 N 0.35 0.00 0.00 4.17 1.57 -0.16 -3.09 116.57 119.41 2abd h LYS 13 Ca 0.22 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 2abd h LYS 13 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2abd h LYS 13 CO -0.22 0.00 -1.65 -2.39 -0.57 0.00 0.00 179.45 174.63 2abd n HIS 14 N -3.52 0.00 0.00 -1.35 1.44 -0.40 -5.05 115.22 106.35 2abd n HIS 14 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2abd n HIS 14 Cb 0.47 -0.45 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2abd n LEU 15 N -2.52 0.00 -0.01 2.39 4.77 0.81 -4.54 117.00 117.91 2abd n LEU 15 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2abd n LEU 15 Cb 0.77 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2abd n LEU 15 CO 0.17 0.00 0.01 1.17 -1.33 0.00 0.00 177.39 177.41 2abd n LYS 16 N 0.00 -0.00 -3.87 3.23 4.81 -0.50 -3.01 118.16 118.82 2abd n LYS 16 Ca 0.00 0.02 -0.35 0.00 -0.87 0.00 0.00 58.31 57.11 2abd n LYS 16 Cb 0.00 -0.04 -0.08 0.00 0.02 0.00 0.00 35.03 34.93 2abd n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2abd s THR 17 N -4.69 5.16 -0.46 3.15 2.01 -1.21 -5.05 115.64 114.56 2abd s THR 17 Ca -0.00 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 2abd s THR 17 Cb 0.00 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.22 2abd s THR 17 CO 0.01 0.48 1.04 -0.54 -0.69 0.00 0.00 174.62 174.92 2abd s LYS 18 N 0.13 3.67 0.26 4.92 3.01 -1.16 -4.63 119.74 125.94 2abd s LYS 18 Ca 0.07 0.43 -0.27 0.00 -1.01 0.00 0.00 55.97 55.19 2abd s LYS 18 Cb -0.12 -3.90 -0.15 0.00 -1.01 0.00 0.00 37.83 32.65 2abd s LYS 18 CO -0.00 -1.28 0.69 -2.30 0.51 0.00 0.00 175.35 172.96 2abd n PRO 19 N 7.48 0.56 -1.50 -1.68 -0.02 -1.26 -4.91 135.00 133.67 2abd n PRO 19 Ca 0.09 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 2abd n PRO 19 Cb 0.49 -1.36 0.09 0.00 -0.02 0.00 0.00 33.50 32.69 2abd n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2abd s ALA 20 N -1.10 2.16 0.15 3.55 0.00 -1.26 -4.61 121.76 120.65 2abd s ALA 20 Ca 0.62 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 53.34 2abd s ALA 20 Cb -0.80 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 18.77 2abd s ALA 20 CO 0.58 -1.86 1.57 0.22 0.00 0.00 0.00 175.76 176.27 2abd h ASP 21 N -0.05 -1.49 -0.34 0.00 3.58 -1.99 0.54 116.42 116.66 2abd h ASP 21 Ca -0.49 0.22 0.07 0.00 0.42 0.00 0.00 57.03 57.25 2abd h ASP 21 Cb 1.32 0.64 -0.08 0.00 1.72 0.00 0.00 39.33 42.92 2abd h ASP 21 CO 0.50 -0.39 -0.31 -0.33 -2.88 0.00 0.00 179.24 175.84 2abd h GLU 22 N -0.37 -0.26 -0.64 0.28 5.08 -1.99 0.43 114.58 117.11 2abd h GLU 22 Ca 0.12 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2abd h GLU 22 Cb 0.60 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2abd h GLU 22 CO -0.55 -0.17 0.33 0.93 -1.00 0.00 0.00 179.01 178.55 2abd h GLU 23 N -0.27 0.58 -0.15 2.33 5.08 -1.68 -2.11 114.58 118.37 2abd h GLU 23 Ca 0.16 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2abd h GLU 23 Cb 0.53 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2abd h GLU 23 CO -0.49 0.38 0.05 0.52 -1.00 0.00 0.00 179.01 178.47 2abd h MET 24 N 0.60 0.12 -0.73 2.33 2.86 0.66 -3.09 114.93 117.67 2abd h MET 24 Ca 0.30 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 58.03 2abd h MET 24 Cb 0.24 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.77 2abd h MET 24 CO -0.21 0.08 -0.34 1.28 1.06 0.00 0.00 176.91 178.78 2abd n LEU 25 N -5.06 -0.58 0.00 1.22 4.77 0.14 0.30 117.00 117.78 2abd n LEU 25 Ca -0.04 1.29 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 2abd n LEU 25 Cb 0.06 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2abd n LEU 25 CO 0.31 -1.12 0.45 0.33 -1.33 0.00 0.00 177.39 176.03 2abd n PHE 26 N -5.02 0.00 -0.15 -1.77 -0.00 -1.17 -0.12 117.46 109.23 2abd n PHE 26 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.46 2abd n PHE 26 Cb 0.26 -0.41 -0.04 0.00 -0.00 0.00 0.00 39.48 39.29 2abd n PHE 26 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2abd h ILE 27 N 0.00 0.00 -0.13 -2.13 5.03 -1.23 -2.46 117.51 116.59 2abd h ILE 27 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.75 2abd h ILE 27 Cb 0.00 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.77 2abd h ILE 27 CO 0.00 0.00 -0.10 0.22 -0.68 0.00 0.00 178.15 177.59 2abd h TYR 28 N -0.03 -0.30 -0.71 1.37 3.20 -0.07 0.56 116.97 120.98 2abd h TYR 28 Ca 0.06 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.02 2abd h TYR 28 Cb 0.18 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.50 2abd h TYR 28 CO -0.91 -0.07 -0.56 0.66 -1.64 0.00 0.00 178.16 175.64 2abd h SER 29 N -0.02 -1.97 0.22 -2.11 4.64 -0.39 0.25 113.55 114.18 2abd h SER 29 Ca 0.02 0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 2abd h SER 29 Cb 0.08 0.84 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2abd h SER 29 CO -0.14 -0.30 -0.11 0.45 -0.87 0.00 0.00 176.83 175.87 2abd h HIS 30 N -0.17 -0.27 -0.01 4.77 3.86 -1.24 -1.56 115.15 120.52 2abd h HIS 30 Ca 0.12 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2abd h HIS 30 Cb 0.48 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 2abd h HIS 30 CO -0.89 -0.07 -0.37 -0.92 0.86 0.00 0.00 177.93 176.54 2abd h TYR 31 N -0.42 -1.08 -0.82 2.45 3.20 0.90 0.39 116.97 121.59 2abd h TYR 31 Ca -0.03 0.04 0.19 0.00 3.14 0.00 0.00 58.73 62.06 2abd h TYR 31 Cb 0.32 0.47 -0.15 0.00 1.54 0.00 0.00 36.73 38.92 2abd h TYR 31 CO -0.03 -0.39 -0.06 0.87 -1.64 0.00 0.00 178.16 176.91 2abd h LYS 32 N -0.46 0.05 -0.13 1.82 1.79 -0.55 0.25 116.57 119.35 2abd h LYS 32 Ca 0.01 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2abd h LYS 32 Cb 0.49 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2abd h LYS 32 CO -0.25 0.03 0.05 1.96 -1.08 0.00 0.00 179.45 180.16 2abd h GLN 33 N 0.05 0.20 -0.17 3.15 1.08 0.03 0.29 115.11 119.75 2abd h GLN 33 Ca 0.44 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.57 2abd h GLN 33 Cb 0.78 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 2abd h GLN 33 CO -0.77 0.32 -0.02 0.00 -0.95 0.00 0.00 178.83 177.40 2abd h ALA 34 N 0.88 1.65 0.00 3.87 0.00 0.17 -2.99 119.26 122.83 2abd h ALA 34 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 2abd h ALA 34 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2abd h ALA 34 CO -0.00 0.26 -2.03 0.25 0.00 0.00 0.00 179.25 177.73 2abd n THR 35 N -4.37 1.52 -0.08 0.00 -2.24 0.70 -4.78 114.28 105.02 2abd n THR 35 Ca -0.00 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 2abd n THR 35 Cb 0.19 -2.02 -0.10 0.00 -2.10 0.00 0.00 70.33 66.29 2abd n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2abd h VAL 36 N -1.00 1.15 0.00 2.28 2.07 -0.74 -3.51 116.25 116.51 2abd h VAL 36 Ca -0.49 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2abd h VAL 36 Cb 1.41 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2abd h VAL 36 CO -0.30 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2abd n GLY 37 N 1.55 0.04 3.67 2.17 0.00 0.39 -5.01 105.19 108.00 2abd n GLY 37 Ca -0.18 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 2abd n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2abd s ASP 38 N -4.00 6.47 0.00 1.61 1.11 -1.26 -3.53 116.67 117.07 2abd s ASP 38 Ca 0.00 2.66 0.00 0.00 0.18 0.00 0.00 52.55 55.39 2abd s ASP 38 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2abd s ASP 38 CO 0.00 -1.02 0.00 0.00 1.18 0.00 0.00 175.17 175.33 2abd n ILE 39 N 5.19 0.00 -0.91 0.77 3.06 -1.26 -4.73 119.36 121.48 2abd n ILE 39 Ca 0.19 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.21 2abd n ILE 39 Cb 0.40 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.69 2abd n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2abd n ASN 40 N 0.00 4.91 -4.23 9.51 3.02 -1.26 -4.80 115.26 122.42 2abd n ASN 40 Ca 0.00 -3.36 -0.15 0.00 -0.03 0.00 0.00 54.58 51.04 2abd n ASN 40 Cb 0.00 -0.86 -0.11 0.00 -0.61 0.00 0.00 39.78 38.21 2abd n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2abd s THR 41 N -3.06 1.16 0.05 3.41 -4.23 -1.26 -5.14 115.64 106.57 2abd s THR 41 Ca 0.48 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2abd s THR 41 Cb 0.39 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 2abd s THR 41 CO 0.05 -0.59 0.17 -1.61 -0.54 0.00 0.00 174.62 172.10 2abd s GLU 42 N -3.14 3.29 0.27 3.99 2.02 -1.26 -5.05 118.70 118.81 2abd s GLU 42 Ca 0.11 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 2abd s GLU 42 Cb -0.01 -2.96 -0.11 0.00 0.10 0.00 0.00 34.13 31.15 2abd s GLU 42 CO 0.01 0.61 1.53 0.50 0.02 0.00 0.00 175.26 177.93 2abd s ARG 43 N -2.39 4.19 0.00 1.61 3.52 -1.26 -4.85 118.95 119.77 2abd s ARG 43 Ca 0.32 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.38 2abd s ARG 43 Cb -0.13 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2abd s ARG 43 CO 0.25 -0.54 0.00 -2.30 -0.81 0.00 0.00 175.30 171.90 2abd n PRO 44 N 2.31 0.00 0.00 5.12 -0.02 -1.26 -5.01 135.00 136.14 2abd n PRO 44 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2abd n PRO 44 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 2abd n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2abd n GLY 45 N 0.00 0.07 0.12 -1.23 0.00 0.22 -4.86 105.19 99.52 2abd n GLY 45 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2abd n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2abd n MET 46 N -1.37 0.66 -0.92 1.61 2.81 -0.80 -4.84 117.12 114.27 2abd n MET 46 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2abd n MET 46 Cb 0.00 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2abd n MET 46 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2abd n LEU 47 N -3.15 0.00 0.00 4.03 -0.00 -1.20 -4.92 117.00 111.76 2abd n LEU 47 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 2abd n LEU 47 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.44 2abd n LEU 47 CO 0.29 -0.49 0.00 -0.67 -0.00 0.00 0.00 177.39 176.52 2abd n ASP 48 N -2.91 0.00 -4.21 1.45 -0.08 -1.26 -1.94 116.55 107.60 2abd n ASP 48 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2abd n ASP 48 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 2abd n ASP 48 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2abd s PHE 49 N -0.27 2.22 0.00 -0.67 -0.12 -1.26 -4.98 117.98 112.89 2abd s PHE 49 Ca 0.00 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.16 2abd s PHE 49 Cb 0.00 -1.48 0.00 0.00 -0.63 0.00 0.00 43.02 40.91 2abd s PHE 49 CO 0.00 -0.25 0.00 1.63 -0.05 0.00 0.00 175.22 176.55 2abd n LYS 50 N 3.17 0.00 0.00 1.99 4.76 -0.82 -3.84 118.16 123.42 2abd n LYS 50 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2abd n LYS 50 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2abd n GLY 51 N -0.86 0.52 0.07 0.72 0.00 -1.26 0.73 105.19 105.10 2abd n GLY 51 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2abd n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2abd h LYS 52 N 0.00 -0.15 0.00 1.61 -0.00 -1.94 -3.10 116.57 112.99 2abd h LYS 52 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 2abd h LYS 52 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 32.26 2abd h LYS 52 CO 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 179.45 179.35 2abd n ALA 53 N -2.18 0.00 0.07 0.07 0.00 -1.26 0.76 120.51 117.97 2abd n ALA 53 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2abd n ALA 53 Cb 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 2abd n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2abd h LYS 54 N 0.00 -0.51 0.04 0.00 1.79 -1.93 0.41 116.57 116.37 2abd h LYS 54 Ca 0.00 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2abd h LYS 54 Cb 0.00 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2abd h LYS 54 CO 0.00 -0.34 -0.34 2.35 -1.08 0.00 0.00 179.45 180.04 2abd h TRP 55 N -0.53 -1.00 0.33 -1.35 7.01 -1.23 -0.63 115.95 118.55 2abd h TRP 55 Ca 0.05 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2abd h TRP 55 Cb 0.61 0.43 -0.03 0.00 -2.10 0.00 0.00 29.16 28.07 2abd h TRP 55 CO -0.37 -0.37 -0.41 -0.44 -2.79 0.00 0.00 178.44 174.05 2abd h ASP 56 N -0.46 -1.15 -0.91 2.65 3.32 0.45 0.49 116.42 120.82 2abd h ASP 56 Ca 0.00 0.11 0.20 0.00 0.02 0.00 0.00 57.03 57.36 2abd h ASP 56 Cb 0.47 0.40 -0.17 0.00 0.22 0.00 0.00 39.33 40.25 2abd h ASP 56 CO -0.21 -0.54 -0.16 0.00 -1.72 0.00 0.00 179.24 176.61 2abd h ALA 57 N -0.40 0.72 0.21 3.45 0.00 0.03 0.40 119.26 123.68 2abd h ALA 57 Ca -0.02 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2abd h ALA 57 Cb 0.72 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2abd h ALA 57 CO -0.11 -0.43 -0.10 2.35 0.00 0.00 0.00 179.25 180.96 2abd h TRP 58 N 0.01 -0.27 -0.93 0.00 7.01 -0.57 -3.26 115.95 117.94 2abd h TRP 58 Ca 0.47 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.64 2abd h TRP 58 Cb 0.78 0.09 -0.18 0.00 -2.10 0.00 0.00 29.16 27.75 2abd h TRP 58 CO -0.64 0.12 -0.24 -0.97 -2.79 0.00 0.00 178.44 173.92 2abd h ASN 59 N -0.89 -0.89 -1.23 2.65 -1.24 0.19 0.96 115.58 115.13 2abd h ASN 59 Ca -0.03 0.28 0.44 0.00 0.71 0.00 0.00 56.30 57.70 2abd h ASN 59 Cb 0.51 0.59 -0.14 0.00 0.73 0.00 0.00 38.32 40.00 2abd h ASN 59 CO 0.05 -0.31 0.78 1.21 -1.29 0.00 0.00 177.43 177.87 2abd n GLU 60 N -5.59 -0.04 0.10 6.67 4.07 0.12 0.20 120.64 126.18 2abd n GLU 60 Ca 0.14 1.19 -0.21 0.00 -0.06 0.00 0.00 57.16 58.23 2abd n GLU 60 Cb 0.46 -2.31 -0.13 0.00 -0.06 0.00 0.00 31.44 29.41 2abd n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2abd h LEU 61 N 0.00 0.78 0.00 4.31 3.38 -0.92 -3.47 115.31 119.39 2abd h LEU 61 Ca 0.82 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2abd h LEU 61 Cb 2.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 43.07 2abd h LEU 61 CO -0.48 1.55 0.00 1.17 0.09 0.00 0.00 178.44 180.77 2abd n LYS 62 N -3.74 0.00 0.00 1.13 4.81 0.13 0.02 118.16 120.51 2abd n LYS 62 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2abd n LYS 62 Cb 0.99 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.04 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 63 N 0.00 1.70 3.78 3.14 0.00 -1.26 -5.00 105.19 107.54 2abd n GLY 63 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2abd n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2abd s THR 64 N -2.00 3.76 -0.79 2.61 -1.32 0.10 -4.86 115.64 113.13 2abd s THR 64 Ca 0.00 1.44 -0.23 0.00 -1.21 0.00 0.00 61.69 61.69 2abd s THR 64 Cb 0.00 -3.79 -0.18 0.00 -1.51 0.00 0.00 72.50 67.02 2abd s THR 64 CO 0.00 0.10 2.39 -1.20 -2.21 0.00 0.00 174.62 173.70 2abd n SER 65 N 0.28 1.03 0.00 8.08 7.64 -1.26 -4.76 113.62 124.64 2abd n SER 65 Ca 0.03 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.02 2abd n SER 65 Cb 0.49 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 2abd n SER 65 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2abd n LYS 66 N 8.09 0.00 0.29 1.43 4.81 -1.26 0.18 118.16 131.70 2abd n LYS 66 Ca 0.52 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.80 2abd n LYS 66 Cb 0.35 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.32 2abd n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2abd h GLU 67 N 0.00 -0.70 -0.62 1.64 3.07 -1.92 0.10 114.58 116.15 2abd h GLU 67 Ca 0.00 0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.00 2abd h GLU 67 Cb 0.00 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.00 2abd h GLU 67 CO 0.00 -0.40 0.26 -0.44 -1.40 0.00 0.00 179.01 177.03 2abd h ASP 68 N -0.91 0.30 -0.19 1.42 3.32 0.15 0.47 116.42 120.98 2abd h ASP 68 Ca -0.07 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2abd h ASP 68 Cb 0.62 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.13 2abd h ASP 68 CO 0.12 0.18 -0.28 0.00 -1.72 0.00 0.00 179.24 177.54 2abd h ALA 69 N 1.41 -0.25 0.67 3.45 0.00 -1.11 -0.55 119.26 122.87 2abd h ALA 69 Ca 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2abd h ALA 69 Cb 0.35 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2abd h ALA 69 CO -0.28 -0.73 -0.32 0.52 0.00 0.00 0.00 179.25 178.43 2abd h MET 70 N -0.32 -0.87 -0.28 0.00 2.86 0.88 -2.08 114.93 115.12 2abd h MET 70 Ca 0.12 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2abd h MET 70 Cb 0.50 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 2abd h MET 70 CO -0.37 -0.57 -0.18 0.87 1.06 0.00 0.00 176.91 177.72 2abd h LYS 71 N -1.23 -0.01 -0.47 1.72 1.57 -0.08 -0.04 116.57 118.02 2abd h LYS 71 Ca -0.09 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2abd h LYS 71 Cb 0.69 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 2abd h LYS 71 CO 0.15 -0.01 -0.56 0.00 -0.57 0.00 0.00 179.45 178.47 2abd h ALA 72 N -0.59 -0.74 -0.98 3.86 0.00 -1.21 0.53 119.26 120.13 2abd h ALA 72 Ca 0.05 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.14 2abd h ALA 72 Cb 0.13 1.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 2abd h ALA 72 CO -0.27 -1.04 -0.32 0.98 0.00 0.00 0.00 179.25 178.60 2abd n TYR 73 N -5.37 0.18 0.26 0.00 9.36 -0.20 0.54 117.16 121.92 2abd n TYR 73 Ca -0.03 1.21 -0.11 0.00 3.32 0.00 0.00 57.90 62.29 2abd n TYR 73 Cb 0.33 -0.96 -0.05 0.00 -0.63 0.00 0.00 39.34 38.03 2abd n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2abd h ILE 74 N 0.00 0.00 -1.58 2.97 2.04 -0.03 0.25 117.51 121.17 2abd h ILE 74 Ca 0.40 -0.47 0.49 0.00 1.00 0.00 0.00 64.86 66.28 2abd h ILE 74 Cb 0.65 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 2abd h ILE 74 CO -0.99 0.00 1.09 0.47 0.00 0.00 0.00 178.15 178.72 2abd n ASP 75 N -5.22 0.09 -0.10 1.72 9.92 0.08 0.03 116.55 123.06 2abd n ASP 75 Ca -0.09 1.08 -0.22 0.00 -0.53 0.00 0.00 54.79 55.04 2abd n ASP 75 Cb 0.28 -0.54 -0.12 0.00 -0.64 0.00 0.00 41.12 40.10 2abd n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2abd n LYS 76 N -4.13 0.65 -0.32 -1.24 3.00 0.19 -4.43 118.16 111.88 2abd n LYS 76 Ca 0.39 0.24 0.16 0.00 -0.00 0.00 0.00 58.31 59.10 2abd n LYS 76 Cb 1.68 -1.58 0.35 0.00 0.00 0.00 0.00 35.03 35.48 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2abd h VAL 77 N -0.29 0.49 -0.72 3.15 2.07 0.32 0.42 116.25 121.69 2abd h VAL 77 Ca -0.55 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.01 2abd h VAL 77 Cb 1.82 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2abd h VAL 77 CO -0.13 0.09 0.91 -0.08 0.02 0.00 0.00 177.57 178.37 2abd h GLU 78 N 0.47 0.00 0.10 1.57 4.57 -1.66 1.11 114.58 120.75 2abd h GLU 78 Ca 0.61 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.65 2abd h GLU 78 Cb 1.17 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.78 2abd h GLU 78 CO -0.51 0.00 -0.60 0.93 -1.18 0.00 0.00 179.01 177.65 2abd h GLU 79 N 0.00 0.22 -0.60 1.92 5.08 -1.18 -3.19 114.58 116.84 2abd h GLU 79 Ca 0.34 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2abd h GLU 79 Cb 2.16 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.52 2abd h GLU 79 CO -0.00 1.18 0.39 -0.07 -1.00 0.00 0.00 179.01 179.51 2abd h LEU 80 N -0.54 0.69 -2.09 1.33 3.38 0.10 0.37 115.31 118.55 2abd h LEU 80 Ca -0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2abd h LEU 80 Cb 1.47 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2abd h LEU 80 CO 0.11 0.50 0.30 0.50 0.09 0.00 0.00 178.44 179.94 2abd h LYS 81 N 0.81 0.00 0.00 1.13 3.64 -0.63 0.21 116.57 121.73 2abd h LYS 81 Ca 0.22 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 59.17 2abd h LYS 81 Cb -0.09 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 2abd h LYS 81 CO -0.05 0.00 -2.46 1.63 -2.27 0.00 0.00 179.45 176.31 2abd n LYS 82 N -2.92 0.62 -0.19 1.90 5.02 0.93 -2.50 118.16 121.01 2abd n LYS 82 Ca -0.02 0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 2abd n LYS 82 Cb 0.35 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2abd h LYS 83 N -0.58 1.03 0.00 1.97 1.63 0.08 -3.39 116.57 117.32 2abd h LYS 83 Ca -0.64 -0.36 -0.26 0.00 -0.85 0.00 0.00 60.65 58.55 2abd h LYS 83 Cb 1.73 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 33.24 2abd h LYS 83 CO -0.27 1.05 -1.83 0.66 -3.45 0.00 0.00 179.45 175.60 2abd n TYR 84 N -4.18 0.00 0.00 1.91 4.01 0.51 -5.06 117.16 114.34 2abd n TYR 84 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2abd n TYR 84 Cb 0.37 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 2abd n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2abd n GLY 85 N 1.98 0.05 0.00 2.72 0.00 0.03 -3.74 105.19 106.23 2abd n GLY 85 Ca -0.31 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.76 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71