#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 0.00 0.00 -1.46 -0.06 -1.26 -3.06 117.38 111.54 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2abd n ALA 3 N -3.70 0.00 -0.28 1.69 0.00 -1.26 -0.20 120.51 116.77 2abd n ALA 3 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2abd n ALA 3 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.09 2.71 -0.07 0.00 0.28 -1.21 -3.72 120.64 118.54 2abd n GLU 4 Ca 0.00 -2.56 -0.07 0.00 -0.16 0.00 0.00 57.16 54.36 2abd n GLU 4 Cb 0.00 -1.53 -0.05 0.00 1.43 0.00 0.00 31.44 31.29 2abd n GLU 4 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2abd h PHE 5 N 4.10 0.00 -0.18 -1.84 3.57 -1.17 0.54 116.94 121.96 2abd h PHE 5 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2abd h PHE 5 Cb 0.97 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2abd h PHE 5 CO 0.44 0.42 -0.19 -0.44 -2.23 0.00 0.00 178.31 176.31 2abd h ASP 6 N -1.00 0.31 -0.30 0.41 3.32 -0.77 0.28 116.42 118.67 2abd h ASP 6 Ca -0.06 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2abd h ASP 6 Cb 0.54 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2abd h ASP 6 CO -0.03 0.52 0.18 0.50 -1.72 0.00 0.00 179.24 178.69 2abd h LYS 7 N 0.29 0.41 0.00 3.56 3.64 -1.64 -0.34 116.57 122.49 2abd h LYS 7 Ca 0.05 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2abd h LYS 7 Cb 0.51 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 2abd h LYS 7 CO 0.03 0.32 -0.40 0.00 -2.27 0.00 0.00 179.45 177.13 2abd h ALA 8 N 1.06 -0.63 -0.72 5.00 0.00 0.19 0.30 119.26 124.47 2abd h ALA 8 Ca 0.11 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 8 Cb 0.02 0.71 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 2abd h ALA 8 CO -0.02 -0.93 -0.21 0.00 0.00 0.00 0.00 179.25 178.09 2abd h ALA 9 N 0.02 0.41 -0.24 0.00 0.00 -0.05 0.39 119.26 119.78 2abd h ALA 9 Ca 0.05 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2abd h ALA 9 Cb 0.64 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2abd h ALA 9 CO -0.31 -0.45 -0.25 0.93 0.00 0.00 0.00 179.25 179.18 2abd h GLU 10 N -0.02 0.60 0.35 0.00 4.39 0.24 -0.99 114.58 119.16 2abd h GLU 10 Ca 0.34 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2abd h GLU 10 Cb 0.54 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2abd h GLU 10 CO -0.75 0.91 -0.17 0.93 -1.16 0.00 0.00 179.01 178.77 2abd h GLU 11 N 0.30 -0.46 0.02 2.33 5.08 0.52 -2.98 114.58 119.39 2abd h GLU 11 Ca 0.04 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2abd h GLU 11 Cb 0.81 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 2abd h GLU 11 CO 0.06 -0.20 -0.37 -0.24 -1.00 0.00 0.00 179.01 177.27 2abd h VAL 12 N -0.67 0.23 -0.35 3.13 3.04 -0.35 -0.99 116.25 120.29 2abd h VAL 12 Ca -0.05 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.74 2abd h VAL 12 Cb 0.47 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 2abd h VAL 12 CO 0.08 0.00 1.03 0.11 -1.01 0.00 0.00 177.57 177.78 2abd h LYS 13 N -0.53 0.00 0.00 4.17 1.57 -1.02 -0.30 116.57 120.46 2abd h LYS 13 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2abd h LYS 13 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2abd h LYS 13 CO -0.28 0.00 -0.43 0.72 -0.57 0.00 0.00 179.45 178.89 2abd n HIS 14 N -2.79 0.00 0.00 -1.35 8.25 -0.41 -5.08 115.22 113.84 2abd n HIS 14 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2abd n HIS 14 Cb 1.14 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.24 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2abd n LEU 15 N -1.22 0.00 0.28 2.41 4.77 -0.12 -4.69 117.00 118.43 2abd n LEU 15 Ca 0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2abd n LEU 15 Cb 0.14 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.49 2abd n LEU 15 CO 0.18 0.00 0.96 0.50 -1.33 0.00 0.00 177.39 177.70 2abd h LYS 16 N 0.00 0.00 -4.98 3.23 3.64 -0.48 -3.41 116.57 114.57 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 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 2abd h LYS 16 CO 0.00 0.00 -0.49 0.99 -2.27 0.00 0.00 179.45 177.68 2abd s THR 17 N -3.75 0.34 -0.48 1.00 2.01 -1.26 -5.03 115.64 108.47 2abd s THR 17 Ca -0.01 -2.00 -0.16 0.00 0.31 0.00 0.00 61.69 59.83 2abd s THR 17 Cb 0.03 -2.36 0.07 0.00 0.01 0.00 0.00 72.50 70.25 2abd s THR 17 CO 0.09 0.00 0.44 -0.75 -0.69 0.00 0.00 174.62 173.70 2abd s LYS 18 N -3.58 3.00 1.08 4.92 2.20 -1.26 -4.99 119.74 121.11 2abd s LYS 18 Ca 0.28 -1.30 -0.14 0.00 -0.36 0.00 0.00 55.97 54.46 2abd s LYS 18 Cb 0.02 -4.14 0.17 0.00 -1.51 0.00 0.00 37.83 32.37 2abd s LYS 18 CO 0.19 -1.07 0.65 -2.30 -0.36 0.00 0.00 175.35 172.46 2abd n PRO 19 N 5.36 -1.51 -3.39 4.03 -0.02 -1.26 -4.99 135.00 133.22 2abd n PRO 19 Ca -0.12 -0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 60.64 2abd n PRO 19 Cb 0.44 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.40 3.55 0.06 3.55 0.00 -1.26 -4.89 121.76 120.37 2abd s ALA 20 Ca 0.63 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 2abd s ALA 20 Cb -0.20 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 2abd s ALA 20 CO 0.65 0.48 1.10 -3.47 0.00 0.00 0.00 175.76 174.51 2abd n ASP 21 N -0.21 -0.38 -0.35 0.00 -0.08 -1.26 -0.93 116.55 113.35 2abd n ASP 21 Ca 0.01 1.18 0.24 0.00 -1.51 0.00 0.00 54.79 54.71 2abd n ASP 21 Cb 0.53 -0.36 0.48 0.00 2.34 0.00 0.00 41.12 44.11 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2abd h GLU 22 N 0.00 0.36 0.55 -0.67 5.08 -1.97 0.47 114.58 118.40 2abd h GLU 22 Ca 0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2abd h GLU 22 Cb 0.15 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2abd h GLU 22 CO -0.33 0.24 -0.26 0.93 -1.00 0.00 0.00 179.01 178.58 2abd h GLU 23 N 0.37 -0.71 -0.87 2.33 5.08 -1.42 0.36 114.58 119.72 2abd h GLU 23 Ca 0.70 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 59.27 2abd h GLU 23 Cb 1.64 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.99 2abd h GLU 23 CO -0.49 -0.42 0.57 0.00 -1.00 0.00 0.00 179.01 177.67 2abd h MET 24 N -1.11 0.56 0.24 2.33 -0.00 -0.51 -1.34 114.93 115.10 2abd h MET 24 Ca -0.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 2abd h MET 24 Cb 0.62 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2abd h MET 24 CO 0.12 0.37 -0.11 -0.07 -0.00 0.00 0.00 176.91 177.22 2abd h LEU 25 N 0.58 -0.27 -0.04 -0.10 -0.00 0.24 0.26 115.31 115.98 2abd h LEU 25 Ca 0.45 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.29 2abd h LEU 25 Cb 0.86 0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.56 2abd h LEU 25 CO -0.19 -0.13 -0.32 0.15 -0.00 0.00 0.00 178.44 177.95 2abd h PHE 26 N -0.40 -0.94 -0.01 1.13 3.57 0.77 0.33 116.94 121.40 2abd h PHE 26 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2abd h PHE 26 Cb 0.30 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2abd h PHE 26 CO -0.04 -0.33 -0.02 0.82 -2.23 0.00 0.00 178.31 176.51 2abd h ILE 27 N -0.37 0.00 -0.83 1.41 5.03 -1.30 -1.33 117.51 120.13 2abd h ILE 27 Ca 0.01 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.83 2abd h ILE 27 Cb 0.41 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.09 2abd h ILE 27 CO -0.23 0.00 -0.57 0.22 -0.68 0.00 0.00 178.15 176.89 2abd h TYR 28 N -0.02 -1.80 0.26 1.37 3.20 -0.15 0.70 116.97 120.53 2abd h TYR 28 Ca 0.00 0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2abd h TYR 28 Cb 0.02 0.89 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 2abd h TYR 28 CO -0.55 -0.41 -0.49 0.66 -1.64 0.00 0.00 178.16 175.73 2abd h SER 29 N -0.12 -1.42 -0.15 -2.11 4.64 -0.22 0.31 113.55 114.48 2abd h SER 29 Ca 0.14 0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.62 2abd h SER 29 Cb 0.47 0.51 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2abd h SER 29 CO -0.84 -0.58 0.03 0.45 -0.87 0.00 0.00 176.83 175.02 2abd h HIS 30 N -0.82 0.06 0.00 4.77 3.86 -0.99 0.51 115.15 122.54 2abd h HIS 30 Ca -0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2abd h HIS 30 Cb 0.78 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2abd h HIS 30 CO -0.36 0.02 0.00 0.98 0.86 0.00 0.00 177.93 179.43 2abd n TYR 31 N -5.08 0.00 -0.30 2.45 9.36 0.24 0.57 117.16 124.40 2abd n TYR 31 Ca -0.04 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.28 2abd n TYR 31 Cb 0.07 -0.40 0.22 0.00 -0.63 0.00 0.00 39.34 38.60 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 -0.16 2.98 1.79 -0.24 0.50 116.57 121.51 2abd h LYS 32 Ca 0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2abd h LYS 32 Cb 0.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2abd h LYS 32 CO 0.00 0.04 -0.02 0.37 -1.08 0.00 0.00 179.45 178.77 2abd h GLN 33 N 0.07 0.29 -0.25 3.15 5.75 -0.31 0.57 115.11 124.37 2abd h GLN 33 Ca 0.51 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 2abd h GLN 33 Cb 0.96 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 2abd h GLN 33 CO -0.80 0.54 0.15 0.00 -2.65 0.00 0.00 178.83 176.08 2abd h ALA 34 N 0.74 1.79 0.00 3.38 0.00 0.28 -2.90 119.26 122.55 2abd h ALA 34 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2abd h ALA 34 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2abd h ALA 34 CO 0.01 0.19 -1.33 0.25 0.00 0.00 0.00 179.25 178.37 2abd n THR 35 N -4.48 1.47 -0.03 0.00 -2.24 0.15 -4.79 114.28 104.35 2abd n THR 35 Ca 0.01 0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 2abd n THR 35 Cb 0.08 -2.18 -0.13 0.00 -2.10 0.00 0.00 70.33 66.00 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 -0.93 1.60 0.00 2.28 2.07 -0.18 -3.50 116.25 117.59 2abd h VAL 36 Ca -0.17 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2abd h VAL 36 Cb 1.10 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 2abd h VAL 36 CO -0.10 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.72 2abd n GLY 37 N 1.62 0.23 3.34 2.17 0.00 0.45 -5.00 105.19 108.01 2abd n GLY 37 Ca -0.14 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.72 -4.57 1.61 9.92 -1.26 -3.37 116.55 116.17 2abd n ASP 38 Ca 0.00 0.35 -0.26 0.00 -0.53 0.00 0.00 54.79 54.34 2abd n ASP 38 Cb 0.00 -1.12 -0.05 0.00 -0.64 0.00 0.00 41.12 39.31 2abd n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2abd s ILE 39 N -2.24 3.46 -0.62 0.53 2.07 -1.26 -4.63 121.20 118.50 2abd s ILE 39 Ca 0.55 -0.50 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 2abd s ILE 39 Cb -0.23 -4.12 0.49 0.00 0.13 0.00 0.00 42.46 38.72 2abd s ILE 39 CO 0.69 -0.92 2.02 -0.46 -1.91 0.00 0.00 174.94 174.36 2abd n ASN 40 N 14.30 6.95 0.00 4.50 6.94 -1.26 -4.80 115.26 141.89 2abd n ASN 40 Ca 0.42 -3.74 0.00 0.00 -0.02 0.00 0.00 54.58 51.23 2abd n ASN 40 Cb 0.47 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2abd n THR 41 N -0.94 0.00 -4.17 5.53 -2.24 -1.26 -5.16 114.28 106.04 2abd n THR 41 Ca 0.62 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.24 2abd n THR 41 Cb 0.85 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.95 2abd n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2abd s GLU 42 N 2.69 0.58 -0.04 -0.78 2.02 -1.26 -5.13 118.70 116.77 2abd s GLU 42 Ca 0.00 -0.54 -0.10 0.00 0.02 0.00 0.00 54.97 54.35 2abd s GLU 42 Cb 0.00 -0.48 -0.05 0.00 0.10 0.00 0.00 34.13 33.70 2abd s GLU 42 CO 0.00 0.11 0.28 0.50 0.02 0.00 0.00 175.26 176.17 2abd s ARG 43 N -0.92 3.66 0.79 1.61 3.52 -1.26 -5.00 118.95 121.35 2abd s ARG 43 Ca -0.03 0.10 -0.20 0.00 -0.13 0.00 0.00 55.73 55.47 2abd s ARG 43 Cb -0.06 -3.17 -0.15 0.00 -1.56 0.00 0.00 34.95 30.00 2abd s ARG 43 CO 0.00 0.71 -1.08 -2.30 -0.81 0.00 0.00 175.30 171.82 2abd n PRO 44 N 1.71 0.00 0.00 5.12 -0.02 -1.26 -5.03 135.00 135.53 2abd n PRO 44 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2abd n PRO 44 Cb 0.53 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 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 2.76 0.00 0.00 -1.23 0.00 -1.26 -5.07 105.19 100.40 2abd n GLY 45 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.81 3.38 -2.59 1.61 2.81 -1.26 -4.92 117.12 114.33 2abd n MET 46 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2abd n MET 46 Cb 0.12 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.63 2abd n MET 46 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2abd s LEU 47 N 0.00 3.85 -0.46 4.03 1.43 -1.26 -4.70 118.68 121.58 2abd s LEU 47 Ca 0.00 -2.35 -0.01 0.00 -1.03 0.00 0.00 54.13 50.74 2abd s LEU 47 Cb 0.00 -2.57 0.33 0.00 0.03 0.00 0.00 46.19 43.98 2abd s LEU 47 CO 0.00 -1.19 1.99 0.47 0.23 0.00 0.00 176.35 177.85 2abd n ASP 48 N 8.34 6.71 0.08 2.29 8.00 -1.26 -4.57 116.55 136.13 2abd n ASP 48 Ca 0.46 -3.35 0.03 0.00 0.71 0.00 0.00 54.79 52.64 2abd n ASP 48 Cb 0.46 -1.00 0.16 0.00 -0.02 0.00 0.00 41.12 40.72 2abd n ASP 48 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2abd n PHE 49 N -0.23 0.19 1.17 1.24 3.72 -1.26 -0.77 117.46 121.52 2abd n PHE 49 Ca 0.44 0.10 0.13 0.00 -0.05 0.00 0.00 57.45 58.07 2abd n PHE 49 Cb 0.67 -0.44 0.37 0.00 -0.94 0.00 0.00 39.48 39.14 2abd n PHE 49 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2abd n LYS 50 N -1.63 0.50 0.00 -1.08 2.85 -1.26 -4.76 118.16 112.78 2abd n LYS 50 Ca -0.00 -0.27 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 2abd n LYS 50 Cb 0.28 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2abd n GLY 51 N 1.39 -0.17 0.00 2.58 0.00 0.05 -5.00 105.19 104.04 2abd n GLY 51 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2abd n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2abd n LYS 52 N -2.14 0.00 -0.37 1.61 0.00 -1.00 -0.67 118.16 115.58 2abd n LYS 52 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2abd n LYS 52 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2abd n ALA 53 N -2.60 -0.38 -0.14 0.58 0.00 -1.26 0.39 120.51 117.10 2abd n ALA 53 Ca 0.00 0.84 -0.05 0.00 0.00 0.00 0.00 53.44 54.23 2abd n ALA 53 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.13 0.37 0.00 1.79 -1.27 0.36 116.57 117.69 2abd h LYS 54 Ca 0.22 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 2abd h LYS 54 Cb 0.45 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 2abd h LYS 54 CO -0.89 -0.08 -0.49 2.35 -1.08 0.00 0.00 179.45 179.26 2abd h TRP 55 N -0.13 -1.38 -0.11 -1.35 7.01 -0.20 0.52 115.95 120.31 2abd h TRP 55 Ca 0.21 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.28 2abd h TRP 55 Cb 0.47 0.55 -0.05 0.00 -2.10 0.00 0.00 29.16 28.03 2abd h TRP 55 CO -0.49 -0.62 -0.23 -0.44 -2.79 0.00 0.00 178.44 173.88 2abd h ASP 56 N -0.89 -0.70 -0.22 2.65 3.32 -0.14 0.42 116.42 120.86 2abd h ASP 56 Ca -0.04 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.17 2abd h ASP 56 Cb 0.80 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 2abd h ASP 56 CO -0.13 -0.28 -0.14 0.00 -1.72 0.00 0.00 179.24 176.97 2abd h ALA 57 N 0.66 0.03 0.34 3.45 0.00 -0.15 0.94 119.26 124.51 2abd h ALA 57 Ca 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2abd h ALA 57 Cb 0.44 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2abd h ALA 57 CO -0.28 -0.56 -0.25 2.35 0.00 0.00 0.00 179.25 180.51 2abd h TRP 58 N -0.13 -0.65 -0.90 0.00 7.01 -0.31 -2.55 115.95 118.42 2abd h TRP 58 Ca 0.12 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.26 2abd h TRP 58 Cb 0.32 0.24 -0.14 0.00 -2.10 0.00 0.00 29.16 27.47 2abd h TRP 58 CO -0.30 -0.38 -0.35 -1.71 -2.79 0.00 0.00 178.44 172.91 2abd n ASN 59 N -5.38 -0.59 -0.44 2.65 5.15 0.14 0.13 115.26 116.92 2abd n ASN 59 Ca -0.10 1.57 0.38 0.00 -0.60 0.00 0.00 54.58 55.84 2abd n ASN 59 Cb 0.28 -0.36 0.66 0.00 -0.53 0.00 0.00 39.78 39.83 2abd n ASN 59 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2abd h GLU 60 N 0.00 0.02 0.00 1.20 4.57 -0.41 0.34 114.58 120.29 2abd h GLU 60 Ca 0.31 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 2abd h GLU 60 Cb 0.54 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2abd h GLU 60 CO -0.89 0.01 -0.25 -0.07 -1.18 0.00 0.00 179.01 176.63 2abd h LEU 61 N 0.02 0.00 -4.46 1.64 3.38 -0.35 -3.47 115.31 112.07 2abd h LEU 61 Ca 0.87 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.63 2abd h LEU 61 Cb 2.70 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 43.38 2abd h LEU 61 CO -0.52 0.25 1.12 1.17 0.09 0.00 0.00 178.44 180.55 2abd n LYS 62 N -3.19 0.00 0.00 1.13 0.00 0.12 0.15 118.16 116.37 2abd n LYS 62 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 2abd n LYS 62 Cb 0.60 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 35.05 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 3.11 1.37 3.77 3.14 0.00 -1.26 -5.00 105.19 110.32 2abd n GLY 63 Ca 0.38 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 2abd n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2abd s THR 64 N -2.00 3.16 -0.80 2.61 2.01 0.40 -4.79 115.64 116.24 2abd s THR 64 Ca 0.00 0.84 -0.19 0.00 0.31 0.00 0.00 61.69 62.65 2abd s THR 64 Cb 0.00 -3.41 -0.19 0.00 0.01 0.00 0.00 72.50 68.92 2abd s THR 64 CO 0.00 -0.04 2.08 -1.20 -0.69 0.00 0.00 174.62 174.76 2abd n SER 65 N -0.64 0.47 0.00 3.53 7.64 -1.26 -4.69 113.62 118.67 2abd n SER 65 Ca 0.08 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2abd n SER 65 Cb 0.49 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 7.34 0.00 0.14 1.43 4.81 -1.26 0.62 118.16 131.24 2abd n LYS 66 Ca 0.43 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.62 2abd n LYS 66 Cb 0.39 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.29 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 0.53 -0.63 1.64 4.22 -1.86 -3.29 114.58 115.19 2abd h GLU 67 Ca 0.00 -0.91 0.12 0.00 0.08 0.00 0.00 59.36 58.65 2abd h GLU 67 Cb 0.00 0.34 -0.09 0.00 0.50 0.00 0.00 28.75 29.50 2abd h GLU 67 CO 0.00 1.44 0.14 -0.44 -2.18 0.00 0.00 179.01 177.97 2abd h ASP 68 N 0.13 0.01 -0.44 1.04 5.19 -0.18 -0.38 116.42 121.80 2abd h ASP 68 Ca -0.26 0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.35 2abd h ASP 68 Cb 2.16 0.16 -0.07 0.00 0.18 0.00 0.00 39.33 41.76 2abd h ASP 68 CO 0.27 0.01 -0.00 0.00 -3.12 0.00 0.00 179.24 176.39 2abd h ALA 69 N 1.50 0.40 0.50 3.45 0.00 -1.67 0.19 119.26 123.64 2abd h ALA 69 Ca 0.33 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2abd h ALA 69 Cb 0.51 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2abd h ALA 69 CO -0.42 -0.39 -0.24 0.52 0.00 0.00 0.00 179.25 178.72 2abd h MET 70 N 0.11 -0.65 0.04 0.00 2.86 -1.20 0.42 114.93 116.50 2abd h MET 70 Ca 0.22 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2abd h MET 70 Cb 0.32 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2abd h MET 70 CO -0.37 -0.38 -0.23 0.87 1.06 0.00 0.00 176.91 177.87 2abd h LYS 71 N -0.80 -0.30 -0.57 1.72 1.57 -0.94 -2.42 116.57 114.83 2abd h LYS 71 Ca -0.07 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2abd h LYS 71 Cb 0.57 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 2abd h LYS 71 CO 0.11 -0.20 -0.34 0.00 -0.57 0.00 0.00 179.45 178.45 2abd n ALA 72 N -2.67 -0.37 -0.26 3.86 0.00 0.66 -0.64 120.51 121.10 2abd n ALA 72 Ca -0.03 0.49 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 2abd n ALA 72 Cb 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 2abd n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2abd n TYR 73 N -4.29 -0.27 0.31 0.00 9.36 0.13 0.05 117.16 122.46 2abd n TYR 73 Ca 0.01 0.76 -0.12 0.00 3.32 0.00 0.00 57.90 61.87 2abd n TYR 73 Cb 0.15 -0.54 -0.06 0.00 -0.63 0.00 0.00 39.34 38.26 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 -1.41 2.97 2.04 -0.75 0.16 117.51 120.51 2abd h ILE 74 Ca 0.10 -0.25 0.44 0.00 1.00 0.00 0.00 64.86 66.14 2abd h ILE 74 Cb 0.25 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 2abd h ILE 74 CO -0.57 0.00 0.98 0.47 0.00 0.00 0.00 178.15 179.03 2abd n ASP 75 N -4.89 0.07 -0.13 1.72 9.92 0.18 0.06 116.55 123.49 2abd n ASP 75 Ca -0.10 0.95 -0.19 0.00 -0.53 0.00 0.00 54.79 54.92 2abd n ASP 75 Cb 0.32 -0.47 -0.11 0.00 -0.64 0.00 0.00 41.12 40.22 2abd n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2abd n LYS 76 N -3.90 0.62 -0.30 -1.24 4.76 0.11 -4.55 118.16 113.66 2abd n LYS 76 Ca 0.35 0.16 0.21 0.00 -2.87 0.00 0.00 58.31 56.16 2abd n LYS 76 Cb 1.50 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 33.58 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2abd n VAL 77 N -3.37 -0.38 -0.26 -0.18 0.31 0.11 -0.79 118.33 113.77 2abd n VAL 77 Ca -0.46 1.93 0.03 0.00 -0.01 0.00 0.00 64.34 65.84 2abd n VAL 77 Cb 0.96 -2.96 0.08 0.00 -0.91 0.00 0.00 33.84 31.01 2abd n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2abd n GLU 78 N -5.21 -0.09 -0.25 5.55 4.07 -1.10 0.17 120.64 123.79 2abd n GLU 78 Ca 0.27 1.09 -0.01 0.00 -0.06 0.00 0.00 57.16 58.46 2abd n GLU 78 Cb 0.92 -1.63 0.06 0.00 -0.06 0.00 0.00 31.44 30.73 2abd n GLU 78 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2abd h GLU 79 N 0.00 -0.05 -0.29 5.31 5.08 -1.29 0.56 114.58 123.90 2abd h GLU 79 Ca 0.31 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2abd h GLU 79 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2abd h GLU 79 CO -0.72 -0.03 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.14 2abd h LEU 80 N -0.05 0.54 -2.78 1.33 3.38 0.16 0.40 115.31 118.29 2abd h LEU 80 Ca 0.32 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2abd h LEU 80 Cb 0.55 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2abd h LEU 80 CO -0.76 0.76 -0.00 0.50 0.09 0.00 0.00 178.44 179.03 2abd h LYS 81 N 0.31 0.00 0.00 1.13 3.64 0.13 0.32 116.57 122.10 2abd h LYS 81 Ca 0.08 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.05 2abd h LYS 81 Cb 0.52 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 2abd h LYS 81 CO 0.02 0.00 -2.23 1.63 -2.27 0.00 0.00 179.45 176.61 2abd n LYS 82 N -3.23 0.58 -0.13 1.90 4.76 0.17 -2.60 118.16 119.61 2abd n LYS 82 Ca -0.03 0.33 -0.09 0.00 -2.87 0.00 0.00 58.31 55.65 2abd n LYS 82 Cb 0.09 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 31.73 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2abd h LYS 83 N -1.00 0.58 0.00 1.97 3.64 -0.09 -3.37 116.57 118.30 2abd h LYS 83 Ca -0.61 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 58.61 2abd h LYS 83 Cb 1.53 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2abd h LYS 83 CO -0.37 0.54 -1.07 0.66 -2.27 0.00 0.00 179.45 176.94 2abd n TYR 84 N -4.66 0.00 -2.12 1.91 4.01 0.84 -4.96 117.16 112.17 2abd n TYR 84 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2abd n TYR 84 Cb 0.14 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 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 1.70 -2.22 0.46 2.72 0.00 0.46 -4.12 105.19 104.19 2abd n GLY 85 Ca -0.17 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.39 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83