#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd n GLN 2 N 0.00 3.26 0.00 1.43 10.64 -1.26 -5.14 117.38 126.31 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2abd n ALA 3 N -3.00 0.00 0.41 2.61 0.00 -1.26 -4.95 120.51 114.31 2abd n ALA 3 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2abd n ALA 3 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 2.22 -0.24 0.00 0.28 -1.26 -4.55 120.64 117.09 2abd n GLU 4 Ca 0.00 -1.89 0.02 0.00 -0.16 0.00 0.00 57.16 55.14 2abd n GLU 4 Cb 0.00 -1.43 0.07 0.00 1.43 0.00 0.00 31.44 31.51 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2abd n PHE 5 N 1.05 0.16 0.23 -1.84 7.35 -1.26 0.21 117.46 123.36 2abd n PHE 5 Ca 0.18 0.80 0.09 0.00 -0.76 0.00 0.00 57.45 57.77 2abd n PHE 5 Cb 0.46 -0.83 0.54 0.00 0.35 0.00 0.00 39.48 39.99 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 0.00 -0.00 -2.13 3.32 -1.98 0.37 116.42 115.99 2abd h ASP 6 Ca 0.29 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 2abd h ASP 6 Cb 0.45 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.01 2abd h ASP 6 CO -0.67 0.23 -0.65 0.50 -1.72 0.00 0.00 179.24 176.93 2abd h LYS 7 N 0.00 0.45 0.51 3.56 3.11 0.22 0.28 116.57 124.71 2abd h LYS 7 Ca -0.00 -0.48 -0.01 0.00 -2.81 0.00 0.00 60.65 57.35 2abd h LYS 7 Cb 0.58 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 2abd h LYS 7 CO 0.03 1.13 -0.45 0.00 -2.81 0.00 0.00 179.45 177.35 2abd h ALA 8 N 0.33 -1.04 -0.87 5.00 0.00 0.12 0.22 119.26 123.02 2abd h ALA 8 Ca -0.08 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.87 2abd h ALA 8 Cb 1.35 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 19.64 2abd h ALA 8 CO 0.13 -1.12 0.33 0.00 0.00 0.00 0.00 179.25 178.59 2abd h ALA 9 N -0.72 1.34 -0.14 0.00 0.00 -0.29 0.25 119.26 119.70 2abd h ALA 9 Ca -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2abd h ALA 9 Cb 0.82 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2abd h ALA 9 CO -0.03 -0.38 0.06 1.49 0.00 0.00 0.00 179.25 180.39 2abd h GLU 10 N 0.33 0.21 -0.02 0.00 4.22 0.11 0.27 114.58 119.69 2abd h GLU 10 Ca 0.54 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.95 2abd h GLU 10 Cb 1.05 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2abd h GLU 10 CO -0.56 0.28 0.01 0.93 -2.18 0.00 0.00 179.01 177.49 2abd h GLU 11 N 0.09 0.03 -0.63 1.92 5.08 0.14 -0.33 114.58 120.88 2abd h GLU 11 Ca 0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2abd h GLU 11 Cb 0.14 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2abd h GLU 11 CO -0.01 0.07 0.42 -0.24 -1.00 0.00 0.00 179.01 178.25 2abd h VAL 12 N -0.01 1.16 -0.04 3.13 3.04 -0.55 0.36 116.25 123.34 2abd h VAL 12 Ca 0.01 -0.29 0.01 0.00 -1.01 0.00 0.00 66.70 65.42 2abd h VAL 12 Cb 0.04 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 29.56 2abd h VAL 12 CO -0.00 0.15 0.04 0.11 -1.01 0.00 0.00 177.57 176.86 2abd h LYS 13 N 0.85 0.00 0.13 4.17 1.79 0.44 -2.98 116.57 120.97 2abd h LYS 13 Ca 0.23 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.35 2abd h LYS 13 Cb -0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2abd h LYS 13 CO -0.05 0.00 -1.85 0.45 -1.08 0.00 0.00 179.45 176.92 2abd h HIS 14 N 0.00 0.50 0.00 -1.35 3.86 0.67 -3.50 115.15 115.34 2abd h HIS 14 Ca 0.02 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2abd h HIS 14 Cb 0.10 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2abd h HIS 14 CO 0.00 1.64 0.00 1.28 0.86 0.00 0.00 177.93 181.71 2abd n LEU 15 N -3.47 0.00 0.28 2.43 4.77 -0.08 -4.81 117.00 116.13 2abd n LEU 15 Ca -0.27 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2abd n LEU 15 Cb 1.06 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.96 2abd n LEU 15 CO 0.46 0.00 1.09 0.50 -1.33 0.00 0.00 177.39 178.11 2abd h LYS 16 N 0.00 0.00 -6.10 3.23 3.64 -0.78 -3.42 116.57 113.14 2abd h LYS 16 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 2abd h LYS 16 Cb 0.00 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 2abd h LYS 16 CO 0.00 0.02 -0.53 0.99 -2.27 0.00 0.00 179.45 177.65 2abd s THR 17 N -4.72 3.07 -0.54 1.00 2.01 -1.21 -5.08 115.64 110.16 2abd s THR 17 Ca -0.05 -1.68 -0.17 0.00 0.31 0.00 0.00 61.69 60.11 2abd s THR 17 Cb 0.16 -2.99 0.10 0.00 0.01 0.00 0.00 72.50 69.77 2abd s THR 17 CO 0.59 -0.18 0.55 -1.59 -0.69 0.00 0.00 174.62 173.30 2abd s LYS 18 N -3.85 3.02 0.29 4.92 -2.85 -1.26 -4.92 119.74 115.09 2abd s LYS 18 Ca 0.38 -1.41 -0.23 0.00 -1.00 0.00 0.00 55.97 53.70 2abd s LYS 18 Cb -0.03 -4.23 -0.16 0.00 -2.06 0.00 0.00 37.83 31.36 2abd s LYS 18 CO 0.23 -1.31 0.28 -2.30 0.10 0.00 0.00 175.35 172.35 2abd n PRO 19 N 5.68 0.00 -1.43 1.78 -0.02 -1.26 -4.95 135.00 134.80 2abd n PRO 19 Ca -0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.08 2abd n PRO 19 Cb 0.42 -0.95 0.15 0.00 -0.02 0.00 0.00 33.50 33.10 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 -1.29 1.52 0.07 3.55 0.00 -1.26 -4.69 121.76 119.65 2abd s ALA 20 Ca 0.59 -0.49 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 2abd s ALA 20 Cb -0.74 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.23 2abd s ALA 20 CO 0.57 -2.46 1.35 -0.44 0.00 0.00 0.00 175.76 174.77 2abd h ASP 21 N -1.63 -1.01 0.15 0.00 5.19 -1.99 -1.01 116.42 116.13 2abd h ASP 21 Ca -0.52 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.01 2abd h ASP 21 Cb 1.33 0.37 -0.05 0.00 0.18 0.00 0.00 39.33 41.17 2abd h ASP 21 CO 0.61 -0.36 -0.52 -0.33 -3.12 0.00 0.00 179.24 175.52 2abd h GLU 22 N -0.48 -0.74 -0.88 3.56 4.39 -1.98 0.39 114.58 118.85 2abd h GLU 22 Ca -0.00 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.88 2abd h GLU 22 Cb 0.48 0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 29.16 2abd h GLU 22 CO -0.18 -0.49 -0.34 0.39 -1.16 0.00 0.00 179.01 177.23 2abd n GLU 23 N -5.49 -0.20 0.08 2.33 4.71 -1.12 0.40 120.64 121.34 2abd n GLU 23 Ca -0.09 1.35 -0.13 0.00 -0.01 0.00 0.00 57.16 58.28 2abd n GLU 23 Cb 0.42 -2.00 -0.08 0.00 -1.01 0.00 0.00 31.44 28.76 2abd n GLU 23 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 2abd h MET 24 N 0.00 -0.15 -0.89 3.49 2.86 -0.15 -2.97 114.93 117.13 2abd h MET 24 Ca 0.31 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 58.16 2abd h MET 24 Cb 0.53 0.03 -0.17 0.00 0.06 0.00 0.00 31.60 32.06 2abd h MET 24 CO -0.87 0.01 -0.13 -0.07 1.06 0.00 0.00 176.91 176.91 2abd h LEU 25 N -0.27 -0.67 0.00 1.22 3.38 0.42 0.45 115.31 119.84 2abd h LEU 25 Ca -0.02 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2abd h LEU 25 Cb 0.22 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2abd h LEU 25 CO 0.03 -0.29 0.00 0.33 0.09 0.00 0.00 178.44 178.60 2abd n PHE 26 N -5.51 0.00 -0.24 1.13 7.35 0.41 0.08 117.46 120.67 2abd n PHE 26 Ca 0.15 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.75 2abd n PHE 26 Cb 0.52 -0.49 -0.08 0.00 0.35 0.00 0.00 39.48 39.78 2abd n PHE 26 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2abd h ILE 27 N 0.00 0.00 -0.29 -2.13 5.03 -1.21 -1.08 117.51 117.83 2abd h ILE 27 Ca 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.79 2abd h ILE 27 Cb 0.00 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.71 2abd h ILE 27 CO 0.00 0.00 -0.51 0.22 -0.68 0.00 0.00 178.15 177.18 2abd h TYR 28 N -0.13 -1.51 0.09 1.37 3.20 -0.07 0.81 116.97 120.74 2abd h TYR 28 Ca 0.10 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2abd h TYR 28 Cb 0.39 0.70 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2abd h TYR 28 CO -0.88 -0.50 -0.28 0.66 -1.64 0.00 0.00 178.16 175.52 2abd h SER 29 N -0.45 -0.82 -0.73 -2.11 4.64 0.19 0.37 113.55 114.63 2abd h SER 29 Ca 0.08 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2abd h SER 29 Cb 0.63 0.30 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 2abd h SER 29 CO -0.52 -0.30 0.44 0.45 -0.87 0.00 0.00 176.83 176.03 2abd h HIS 30 N -0.41 0.81 0.00 4.77 3.86 -1.13 0.12 115.15 123.17 2abd h HIS 30 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2abd h HIS 30 Cb 0.41 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2abd h HIS 30 CO -0.35 0.42 0.00 0.98 0.86 0.00 0.00 177.93 179.84 2abd n TYR 31 N -4.70 0.00 -0.32 2.45 9.36 0.28 0.66 117.16 124.88 2abd n TYR 31 Ca 0.09 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.48 2abd n TYR 31 Cb 0.15 -0.43 0.34 0.00 -0.63 0.00 0.00 39.34 38.76 2abd n TYR 31 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2abd h LYS 32 N 0.00 0.07 -0.22 2.98 1.79 -0.07 0.47 116.57 121.59 2abd h LYS 32 Ca 0.00 -0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 2abd h LYS 32 Cb 0.00 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2abd h LYS 32 CO 0.00 0.05 -0.34 0.37 -1.08 0.00 0.00 179.45 178.45 2abd h GLN 33 N 0.07 0.62 0.00 3.15 5.75 -0.47 0.39 115.11 124.62 2abd h GLN 33 Ca 0.62 -0.37 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 2abd h GLN 33 Cb 1.35 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.93 2abd h GLN 33 CO -0.81 0.98 -0.25 0.00 -2.65 0.00 0.00 178.83 176.11 2abd h ALA 34 N 0.63 1.43 0.00 3.38 0.00 0.37 -3.04 119.26 122.03 2abd h ALA 34 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2abd h ALA 34 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2abd h ALA 34 CO 0.08 0.31 -0.80 0.25 0.00 0.00 0.00 179.25 179.08 2abd n THR 35 N -4.01 1.24 -0.05 0.00 -2.24 0.13 -4.76 114.28 104.58 2abd n THR 35 Ca -0.02 0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.82 2abd n THR 35 Cb 0.32 -2.18 -0.13 0.00 -2.10 0.00 0.00 70.33 66.23 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 -0.80 1.75 0.00 2.28 2.07 -0.59 -3.51 116.25 117.46 2abd h VAL 36 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2abd h VAL 36 Cb 0.80 3.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2abd h VAL 36 CO 0.00 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.83 2abd n GLY 37 N 1.61 0.27 3.18 2.17 0.00 0.65 -5.00 105.19 108.07 2abd n GLY 37 Ca -0.11 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 2abd n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2abd n ASP 38 N 0.00 -4.34 -4.53 1.61 9.92 -1.26 -3.35 116.55 114.60 2abd n ASP 38 Ca 0.00 0.30 -0.16 0.00 -0.53 0.00 0.00 54.79 54.40 2abd n ASP 38 Cb 0.00 -0.93 -0.13 0.00 -0.64 0.00 0.00 41.12 39.42 2abd n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2abd n ILE 39 N -2.69 0.00 -0.01 0.53 3.06 -1.26 -4.67 119.36 114.33 2abd n ILE 39 Ca 0.02 -0.49 -0.10 0.00 -2.50 0.00 0.00 62.75 59.68 2abd n ILE 39 Cb 0.54 -1.20 0.08 0.00 0.54 0.00 0.00 39.64 39.61 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 13.49 3.33 -4.15 9.51 3.02 -1.26 -4.74 115.26 134.47 2abd n ASN 40 Ca 0.54 -2.72 -0.10 0.00 -0.03 0.00 0.00 54.58 52.27 2abd n ASN 40 Cb 0.32 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.50 0.54 0.31 3.41 -4.23 -1.26 -5.16 115.64 107.75 2abd s THR 41 Ca 0.26 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.95 2abd s THR 41 Cb 0.22 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 2abd s THR 41 CO 0.05 -0.90 0.10 -1.83 -0.54 0.00 0.00 174.62 171.51 2abd s GLU 42 N -3.87 2.39 -0.47 3.99 1.03 -1.26 -5.04 118.70 115.46 2abd s GLU 42 Ca 0.11 -1.48 -0.29 0.00 0.03 0.00 0.00 54.97 53.34 2abd s GLU 42 Cb 0.06 -2.19 0.02 0.00 -0.80 0.00 0.00 34.13 31.21 2abd s GLU 42 CO -0.06 0.20 1.33 0.50 -1.33 0.00 0.00 175.26 175.90 2abd s ARG 43 N -3.80 3.55 0.45 -4.83 3.52 -1.26 -4.92 118.95 111.65 2abd s ARG 43 Ca 0.36 0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 56.65 2abd s ARG 43 Cb -0.04 -4.01 -0.00 0.00 -1.56 0.00 0.00 34.95 29.34 2abd s ARG 43 CO 0.22 -1.61 -0.01 -2.30 -0.81 0.00 0.00 175.30 170.80 2abd n PRO 44 N 8.16 0.00 0.00 5.12 -0.02 -1.26 -5.07 135.00 141.93 2abd n PRO 44 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2abd n PRO 44 Cb 0.49 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 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 2.66 2.76 0.00 -1.23 0.00 -1.26 -5.05 105.19 103.07 2abd n GLY 45 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2abd n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2abd n MET 46 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.49 117.12 112.98 2abd n MET 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2abd n MET 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2abd n MET 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2abd n LEU 47 N 0.00 0.02 -0.79 3.17 7.94 -1.26 -4.90 117.00 121.17 2abd n LEU 47 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2abd n LEU 47 Cb 0.00 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2abd n LEU 47 CO 0.00 -0.39 0.00 0.47 -1.11 0.00 0.00 177.39 176.36 2abd n ASP 48 N -2.27 0.00 -0.21 1.96 8.00 -1.26 -4.73 116.55 118.03 2abd n ASP 48 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2abd n ASP 48 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2abd n ASP 48 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2abd h PHE 49 N 0.00 -1.07 0.00 1.24 0.04 -1.90 0.10 116.94 115.35 2abd h PHE 49 Ca 0.00 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2abd h PHE 49 Cb 0.00 0.54 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2abd h PHE 49 CO 0.00 -0.23 0.00 1.63 -0.60 0.00 0.00 178.31 179.11 2abd n LYS 50 N -4.28 0.55 0.01 1.51 4.01 -1.26 -3.00 118.16 115.69 2abd n LYS 50 Ca 0.01 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 2abd n LYS 50 Cb 0.16 -1.13 -0.01 0.00 -0.51 0.00 0.00 35.03 33.54 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2abd n GLY 51 N 0.13 -0.08 0.26 0.72 0.00 0.16 -4.61 105.19 101.76 2abd n GLY 51 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.99 2abd n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2abd n LYS 52 N -3.42 -0.13 0.11 1.61 5.02 -0.04 0.81 118.16 122.11 2abd n LYS 52 Ca -0.04 1.06 -0.13 0.00 -2.02 0.00 0.00 58.31 57.19 2abd n LYS 52 Cb 0.27 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2abd h ALA 53 N 1.07 -0.41 -0.58 7.82 0.00 -1.82 0.19 119.26 125.52 2abd h ALA 53 Ca 0.26 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.26 2abd h ALA 53 Cb 0.44 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 2abd h ALA 53 CO -0.69 -0.78 -0.04 0.87 0.00 0.00 0.00 179.25 178.62 2abd h LYS 54 N -0.44 0.08 0.12 0.00 6.56 0.14 0.43 116.57 123.46 2abd h LYS 54 Ca 0.03 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.62 2abd h LYS 54 Cb 0.47 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 2abd h LYS 54 CO -0.13 0.05 -0.47 2.35 -2.06 0.00 0.00 179.45 179.19 2abd h TRP 55 N 0.08 -1.37 0.36 -1.35 7.01 -0.14 -0.56 115.95 119.98 2abd h TRP 55 Ca 0.30 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.33 2abd h TRP 55 Cb 0.47 0.58 -0.03 0.00 -2.10 0.00 0.00 29.16 28.09 2abd h TRP 55 CO -0.39 -0.54 -0.41 -0.44 -2.79 0.00 0.00 178.44 173.88 2abd h ASP 56 N -0.68 -1.14 -0.78 2.65 3.32 0.38 0.46 116.42 120.63 2abd h ASP 56 Ca -0.01 0.10 0.18 0.00 0.02 0.00 0.00 57.03 57.32 2abd h ASP 56 Cb 0.68 0.39 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2abd h ASP 56 CO -0.25 -0.55 0.01 0.00 -1.72 0.00 0.00 179.24 176.73 2abd h ALA 57 N -0.43 0.83 0.13 3.45 0.00 0.04 0.20 119.26 123.47 2abd h ALA 57 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 57 Cb 0.73 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2abd h ALA 57 CO -0.10 -0.43 -0.06 2.35 0.00 0.00 0.00 179.25 181.01 2abd h TRP 58 N 0.10 -0.16 -0.85 0.00 7.01 -0.65 -3.12 115.95 118.28 2abd h TRP 58 Ca 0.43 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.64 2abd h TRP 58 Cb 0.77 0.05 -0.14 0.00 -2.10 0.00 0.00 29.16 27.74 2abd h TRP 58 CO -0.42 0.22 0.20 -0.97 -2.79 0.00 0.00 178.44 174.67 2abd h ASN 59 N -0.57 -0.04 -1.53 2.65 -1.24 0.16 0.17 115.58 115.17 2abd h ASN 59 Ca -0.02 0.19 0.44 0.00 0.71 0.00 0.00 56.30 57.63 2abd h ASN 59 Cb 0.45 0.27 -0.06 0.00 0.73 0.00 0.00 38.32 39.71 2abd h ASN 59 CO 0.03 -0.14 1.15 -0.08 -1.29 0.00 0.00 177.43 177.10 2abd h GLU 60 N 0.21 0.00 0.00 6.67 4.57 -0.62 0.34 114.58 125.74 2abd h GLU 60 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2abd h GLU 60 Cb 1.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2abd h GLU 60 CO -0.64 0.00 -0.71 1.28 -1.18 0.00 0.00 179.01 177.76 2abd n LEU 61 N -3.95 0.64 -3.95 1.64 4.77 0.58 -4.93 117.00 111.80 2abd n LEU 61 Ca 0.34 -0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 2abd n LEU 61 Cb 1.63 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 42.51 2abd n LEU 61 CO 0.40 0.13 1.18 1.17 -1.33 0.00 0.00 177.39 178.95 2abd n LYS 62 N -1.60 0.00 0.00 3.23 0.00 0.12 0.13 118.16 120.04 2abd n LYS 62 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 2abd n LYS 62 Cb 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.42 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 63 N 4.53 1.93 3.79 3.14 0.00 -1.26 -4.97 105.19 112.34 2abd n GLY 63 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.63 -0.54 2.61 -1.32 0.36 -4.84 115.64 113.54 2abd s THR 64 Ca 0.00 1.09 -0.33 0.00 -1.21 0.00 0.00 61.69 61.25 2abd s THR 64 Cb 0.00 -3.48 -0.13 0.00 -1.51 0.00 0.00 72.50 67.37 2abd s THR 64 CO 0.00 -0.15 2.36 -0.24 -2.21 0.00 0.00 174.62 174.38 2abd n SER 65 N -0.74 1.66 -0.16 8.08 2.88 -1.26 -4.70 113.62 119.38 2abd n SER 65 Ca 0.08 0.16 0.15 0.00 -1.33 0.00 0.00 58.87 57.93 2abd n SER 65 Cb 0.51 -1.23 0.26 0.00 -0.75 0.00 0.00 64.21 62.99 2abd n SER 65 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2abd n LYS 66 N 8.42 -0.02 -0.04 -1.46 4.81 -1.26 0.18 118.16 128.79 2abd n LYS 66 Ca 0.47 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 58.26 2abd n LYS 66 Cb 0.24 -0.99 -0.13 0.00 0.02 0.00 0.00 35.03 34.16 2abd n LYS 66 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2abd h GLU 67 N 0.00 0.10 -0.60 1.64 4.22 -1.85 -3.28 114.58 114.80 2abd h GLU 67 Ca 0.35 -0.17 0.10 0.00 0.08 0.00 0.00 59.36 59.72 2abd h GLU 67 Cb 1.03 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 2abd h GLU 67 CO -0.24 1.08 0.17 -0.44 -2.18 0.00 0.00 179.01 177.40 2abd h ASP 68 N -0.77 0.11 -0.91 1.04 5.19 0.15 -0.55 116.42 120.68 2abd h ASP 68 Ca -0.12 0.09 0.14 0.00 -0.62 0.00 0.00 57.03 56.52 2abd h ASP 68 Cb 1.29 0.11 -0.15 0.00 0.18 0.00 0.00 39.33 40.75 2abd h ASP 68 CO 0.01 0.07 -0.38 0.00 -3.12 0.00 0.00 179.24 175.81 2abd h ALA 69 N 1.44 0.10 0.79 3.45 0.00 -1.09 0.12 119.26 124.07 2abd h ALA 69 Ca 0.31 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 2abd h ALA 69 Cb 0.42 0.97 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2abd h ALA 69 CO -0.35 -0.64 -0.38 0.52 0.00 0.00 0.00 179.25 178.40 2abd h MET 70 N -0.04 -1.02 -0.83 0.00 2.86 -1.28 0.11 114.93 114.73 2abd h MET 70 Ca 0.32 0.07 0.09 0.00 -2.06 0.00 0.00 59.70 58.12 2abd h MET 70 Cb 0.58 0.23 -0.12 0.00 0.06 0.00 0.00 31.60 32.36 2abd h MET 70 CO -0.92 -0.67 -0.54 0.87 1.06 0.00 0.00 176.91 176.71 2abd h LYS 71 N -1.21 -0.10 0.12 1.72 1.57 -0.41 0.12 116.57 118.38 2abd h LYS 71 Ca -0.11 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2abd h LYS 71 Cb 0.82 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 2abd h LYS 71 CO 0.18 -0.07 -0.33 0.00 -0.57 0.00 0.00 179.45 178.66 2abd h ALA 72 N 0.53 -0.87 -0.63 3.86 0.00 -0.80 -0.99 119.26 120.36 2abd h ALA 72 Ca 0.17 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2abd h ALA 72 Cb 0.49 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2abd h ALA 72 CO -0.85 -0.94 -0.31 0.98 0.00 0.00 0.00 179.25 178.14 2abd n TYR 73 N -4.33 -0.12 0.25 0.00 9.36 0.37 0.33 117.16 123.03 2abd n TYR 73 Ca -0.06 0.78 -0.10 0.00 3.32 0.00 0.00 57.90 61.85 2abd n TYR 73 Cb 0.26 -0.65 -0.05 0.00 -0.63 0.00 0.00 39.34 38.28 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 -0.52 2.97 2.04 -0.62 0.32 117.51 121.70 2abd h ILE 74 Ca 0.16 -0.05 0.15 0.00 1.00 0.00 0.00 64.86 66.12 2abd h ILE 74 Cb 0.32 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2abd h ILE 74 CO -0.61 0.00 0.85 0.44 0.00 0.00 0.00 178.15 178.83 2abd h ASP 75 N -0.69 0.00 0.08 1.72 3.32 0.32 0.78 116.42 121.94 2abd h ASP 75 Ca -0.06 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.62 2abd h ASP 75 Cb 0.49 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 2abd h ASP 75 CO 0.11 0.00 -2.28 1.17 -1.72 0.00 0.00 179.24 176.52 2abd n LYS 76 N -3.16 0.68 -0.28 3.56 0.00 0.15 -4.12 118.16 114.99 2abd n LYS 76 Ca 0.11 0.14 0.09 0.00 0.00 0.00 0.00 58.31 58.66 2abd n LYS 76 Cb 1.02 -1.59 0.33 0.00 0.00 0.00 0.00 35.03 34.80 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 0.01 0.90 -1.30 3.15 2.07 0.45 0.69 116.25 122.23 2abd h VAL 77 Ca -0.51 -0.27 0.38 0.00 0.82 0.00 0.00 66.70 67.11 2abd h VAL 77 Cb 2.03 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2abd h VAL 77 CO -0.01 0.15 1.07 -0.08 0.02 0.00 0.00 177.57 178.72 2abd h GLU 78 N 0.80 0.00 -0.01 1.57 4.22 -1.39 0.64 114.58 120.40 2abd h GLU 78 Ca 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.84 2abd h GLU 78 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2abd h GLU 78 CO -0.20 0.00 -0.13 0.93 -2.18 0.00 0.00 179.01 177.43 2abd h GLU 79 N 0.00 0.11 -0.47 1.92 5.08 -1.10 -3.25 114.58 116.87 2abd h GLU 79 Ca 0.62 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.90 2abd h GLU 79 Cb 2.75 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 32.00 2abd h GLU 79 CO -0.01 0.80 0.28 -0.07 -1.00 0.00 0.00 179.01 179.02 2abd h LEU 80 N -0.54 0.46 -1.50 1.33 3.38 -0.00 0.17 115.31 118.61 2abd h LEU 80 Ca -0.01 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.22 2abd h LEU 80 Cb 0.84 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2abd h LEU 80 CO 0.03 0.33 0.94 0.50 0.09 0.00 0.00 178.44 180.33 2abd h LYS 81 N 0.57 0.00 0.00 1.13 3.64 -0.49 0.24 116.57 121.65 2abd h LYS 81 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2abd h LYS 81 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2abd h LYS 81 CO -0.08 0.00 -0.80 1.63 -2.27 0.00 0.00 179.45 177.93 2abd n LYS 82 N -3.50 0.42 -0.34 1.90 5.02 -0.34 -2.48 118.16 118.85 2abd n LYS 82 Ca 0.19 0.17 0.15 0.00 -2.02 0.00 0.00 58.31 56.80 2abd n LYS 82 Cb 1.23 -1.23 0.30 0.00 -0.02 0.00 0.00 35.03 35.30 2abd n LYS 82 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2abd n LYS 83 N -4.17 -0.08 -0.05 1.97 3.00 0.45 -3.32 118.16 115.96 2abd n LYS 83 Ca -0.11 1.46 -0.08 0.00 -0.00 0.00 0.00 58.31 59.58 2abd n LYS 83 Cb 0.41 -2.33 -0.04 0.00 0.00 0.00 0.00 35.03 33.07 2abd n LYS 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2abd n TYR 84 N -5.45 0.00 0.00 5.64 4.01 0.61 -4.97 117.16 116.99 2abd n TYR 84 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 2abd n TYR 84 Cb 0.77 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 2.78 0.00 0.45 2.72 0.00 0.08 -3.36 105.19 107.86 2abd n GLY 85 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71