#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 1.63 0.00 1.43 2.00 -1.26 -5.16 119.66 118.30 2abd s GLN 2 Ca 0.00 -1.74 0.00 0.00 -2.00 0.00 0.00 55.36 51.62 2abd s GLN 2 Cb 0.00 -1.68 0.00 0.00 0.80 0.00 0.00 33.01 32.13 2abd s GLN 2 CO 0.00 0.31 0.00 0.00 -0.50 0.00 0.00 175.29 175.10 2abd n ALA 3 N -0.58 0.00 0.92 1.58 0.00 -1.26 -4.96 120.51 116.20 2abd n ALA 3 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2abd n ALA 3 Cb 0.60 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.18 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 2.33 -0.30 0.00 0.00 -1.26 -4.57 120.64 116.84 2abd n GLU 4 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 57.16 55.22 2abd n GLU 4 Cb 0.00 -1.47 0.05 0.00 0.00 0.00 0.00 31.44 30.02 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 1.33 0.08 -0.25 -1.84 7.35 -1.26 0.23 117.46 123.11 2abd n PHE 5 Ca 0.15 0.96 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 2abd n PHE 5 Cb 0.59 -0.83 0.22 0.00 0.35 0.00 0.00 39.48 39.82 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 0.91 -0.04 -2.13 3.32 -1.98 0.27 116.42 116.77 2abd h ASP 6 Ca 0.30 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.34 2abd h ASP 6 Cb 0.49 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2abd h ASP 6 CO -0.78 0.66 -0.07 0.50 -1.72 0.00 0.00 179.24 177.83 2abd h LYS 7 N 1.08 -0.10 -0.12 3.56 1.63 0.26 0.42 116.57 123.30 2abd h LYS 7 Ca 0.29 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.15 2abd h LYS 7 Cb -0.12 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.47 2abd h LYS 7 CO -0.06 -0.06 -0.34 0.00 -3.45 0.00 0.00 179.45 175.53 2abd h ALA 8 N 0.93 -0.42 -1.01 5.00 0.00 0.13 0.45 119.26 124.34 2abd h ALA 8 Ca 0.04 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.20 2abd h ALA 8 Cb 0.16 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 2abd h ALA 8 CO -0.10 -0.82 0.61 0.00 0.00 0.00 0.00 179.25 178.94 2abd h ALA 9 N 0.36 1.83 0.00 0.00 0.00 0.58 0.26 119.26 122.29 2abd h ALA 9 Ca 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2abd h ALA 9 Cb 0.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2abd h ALA 9 CO -0.35 -0.27 -0.26 0.93 0.00 0.00 0.00 179.25 179.29 2abd h GLU 10 N 0.59 0.17 0.18 0.00 5.08 0.16 -3.04 114.58 117.73 2abd h GLU 10 Ca 0.63 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2abd h GLU 10 Cb 1.20 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2abd h GLU 10 CO -0.44 0.93 -0.43 0.93 -1.00 0.00 0.00 179.01 179.01 2abd h GLU 11 N -0.51 -0.68 -0.78 2.33 5.08 0.91 -1.59 114.58 119.35 2abd h GLU 11 Ca -0.03 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 2abd h GLU 11 Cb 1.03 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 2abd h GLU 11 CO 0.05 -0.45 0.37 -0.24 -1.00 0.00 0.00 179.01 177.74 2abd h VAL 12 N -0.70 0.74 0.00 3.13 3.04 -0.66 0.12 116.25 121.91 2abd h VAL 12 Ca 0.01 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2abd h VAL 12 Cb 0.70 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2abd h VAL 12 CO -0.21 0.10 0.00 0.29 -1.01 0.00 0.00 177.57 176.74 2abd n LYS 13 N -4.91 0.00 -0.11 4.17 5.02 -0.61 -2.74 118.16 118.98 2abd n LYS 13 Ca 0.14 0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 56.72 2abd n LYS 13 Cb 0.38 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2abd n HIS 14 N -1.51 0.24 0.00 2.13 8.25 0.38 -5.07 115.22 119.64 2abd n HIS 14 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2abd n HIS 14 Cb 0.00 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.09 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 -3.54 0.00 -0.14 2.41 4.77 -1.11 -4.75 117.00 114.65 2abd n LEU 15 Ca -0.45 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.52 2abd n LEU 15 Cb 0.97 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.07 2abd n LEU 15 CO 0.24 0.00 0.21 1.17 -1.33 0.00 0.00 177.39 177.67 2abd n LYS 16 N 0.00 -0.09 -4.20 3.23 4.81 0.12 -4.03 118.16 118.00 2abd n LYS 16 Ca 0.00 0.55 -0.24 0.00 -0.87 0.00 0.00 58.31 57.75 2abd n LYS 16 Cb 0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 35.03 34.17 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 -5.33 3.90 -0.48 3.15 2.01 -1.26 -5.07 115.64 112.56 2abd s THR 17 Ca -0.05 -1.59 -0.17 0.00 0.31 0.00 0.00 61.69 60.19 2abd s THR 17 Cb 0.07 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.58 2abd s THR 17 CO 0.25 -0.29 0.50 -0.54 -0.69 0.00 0.00 174.62 173.85 2abd s LYS 18 N -3.53 3.05 0.02 4.92 -0.14 -1.26 -4.94 119.74 117.86 2abd s LYS 18 Ca 0.31 -1.10 -0.08 0.00 -1.36 0.00 0.00 55.97 53.74 2abd s LYS 18 Cb -0.08 -4.10 -0.04 0.00 -1.68 0.00 0.00 37.83 31.93 2abd s LYS 18 CO 0.21 -1.10 0.19 -2.30 -0.76 0.00 0.00 175.35 171.60 2abd n PRO 19 N 5.67 0.00 -1.76 -1.68 -0.02 -1.26 -4.93 135.00 131.02 2abd n PRO 19 Ca -0.09 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.04 2abd n PRO 19 Cb 0.45 -0.30 0.06 0.00 -0.02 0.00 0.00 33.50 33.69 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 -0.11 2.39 0.08 3.55 0.00 -1.26 -4.57 121.76 121.83 2abd s ALA 20 Ca 0.18 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2abd s ALA 20 Cb -0.26 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2abd s ALA 20 CO 0.13 -1.41 1.22 -0.25 0.00 0.00 0.00 175.76 175.45 2abd n ASP 21 N -2.20 -0.51 -0.07 0.00 9.92 -1.26 -0.74 116.55 121.68 2abd n ASP 21 Ca 0.12 1.33 -0.08 0.00 -0.53 0.00 0.00 54.79 55.63 2abd n ASP 21 Cb 0.51 -0.35 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2abd h GLU 22 N 0.00 -0.27 -0.61 -1.24 5.08 -1.99 0.41 114.58 115.96 2abd h GLU 22 Ca 0.08 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.58 2abd h GLU 22 Cb 0.20 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 2abd h GLU 22 CO -0.45 -0.18 -0.19 0.93 -1.00 0.00 0.00 179.01 178.12 2abd h GLU 23 N -0.28 -0.03 -0.06 2.33 3.07 -1.27 -1.86 114.58 116.47 2abd h GLU 23 Ca 0.15 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2abd h GLU 23 Cb 0.52 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2abd h GLU 23 CO -0.46 -0.02 0.02 0.52 -1.40 0.00 0.00 179.01 177.67 2abd h MET 24 N -0.04 0.09 -0.60 2.33 2.86 0.36 -3.25 114.93 116.69 2abd h MET 24 Ca 0.29 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.00 2abd h MET 24 Cb 0.48 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.03 2abd h MET 24 CO -0.65 0.23 -0.24 1.28 1.06 0.00 0.00 176.91 178.58 2abd n LEU 25 N -4.96 -0.40 0.06 1.22 4.77 0.13 -0.03 117.00 117.79 2abd n LEU 25 Ca -0.06 1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.91 2abd n LEU 25 Cb 0.11 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2abd n LEU 25 CO 0.34 -0.93 0.51 0.15 -1.33 0.00 0.00 177.39 176.12 2abd h PHE 26 N 0.00 -0.38 -0.47 -1.77 3.57 -1.58 0.42 116.94 116.74 2abd h PHE 26 Ca 0.20 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.78 2abd h PHE 26 Cb 0.35 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.14 2abd h PHE 26 CO -0.53 -0.17 -0.43 0.82 -2.23 0.00 0.00 178.31 175.77 2abd h ILE 27 N -0.24 0.10 0.14 1.41 5.03 -1.26 0.01 117.51 122.70 2abd h ILE 27 Ca -0.01 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.73 2abd h ILE 27 Cb 0.22 0.10 -0.04 0.00 -3.03 0.00 0.00 36.82 34.08 2abd h ILE 27 CO -0.04 0.00 -0.42 0.22 -0.68 0.00 0.00 178.15 177.23 2abd h TYR 28 N -0.29 -1.22 -0.21 1.37 3.20 -0.30 0.89 116.97 120.41 2abd h TYR 28 Ca 0.15 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2abd h TYR 28 Cb 0.58 0.51 -0.07 0.00 1.54 0.00 0.00 36.73 39.29 2abd h TYR 28 CO -0.65 -0.49 -0.54 0.66 -1.64 0.00 0.00 178.16 175.50 2abd h SER 29 N -0.64 -1.73 -0.02 -2.11 4.64 0.23 0.25 113.55 114.17 2abd h SER 29 Ca -0.01 0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2abd h SER 29 Cb 0.62 0.69 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2abd h SER 29 CO -0.21 -0.45 0.00 0.45 -0.87 0.00 0.00 176.83 175.75 2abd h HIS 30 N -0.52 0.03 -0.10 4.77 3.86 -0.96 -0.72 115.15 121.50 2abd h HIS 30 Ca 0.04 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2abd h HIS 30 Cb 0.64 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.06 2abd h HIS 30 CO -0.62 0.32 -0.40 -0.92 0.86 0.00 0.00 177.93 177.16 2abd h TYR 31 N -0.26 -1.19 -0.26 2.45 3.20 0.11 0.34 116.97 121.35 2abd h TYR 31 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2abd h TYR 31 Cb 0.30 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 2abd h TYR 31 CO 0.03 -0.40 -0.29 0.87 -1.64 0.00 0.00 178.16 176.73 2abd h LYS 32 N -0.43 -0.28 -0.19 1.82 1.79 -0.53 0.21 116.57 118.97 2abd h LYS 32 Ca 0.02 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.57 2abd h LYS 32 Cb 0.50 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.14 2abd h LYS 32 CO -0.32 -0.19 -0.34 1.96 -1.08 0.00 0.00 179.45 179.49 2abd h GLN 33 N -0.29 -0.36 -0.77 3.15 1.08 0.42 0.30 115.11 118.64 2abd h GLN 33 Ca 0.14 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.51 2abd h GLN 33 Cb 0.51 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.93 2abd h GLN 33 CO -0.42 -0.24 0.32 0.00 -0.95 0.00 0.00 178.83 177.53 2abd h ALA 34 N 0.45 1.10 0.01 3.87 0.00 0.62 -1.88 119.26 123.43 2abd h ALA 34 Ca 0.11 0.11 -0.39 0.00 0.00 0.00 0.00 54.91 54.74 2abd h ALA 34 Cb 0.55 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2abd h ALA 34 CO -0.40 -0.20 -2.21 0.25 0.00 0.00 0.00 179.25 176.69 2abd n THR 35 N -4.99 1.55 -0.11 0.00 -2.24 0.66 -4.77 114.28 104.37 2abd n THR 35 Ca 0.15 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 2abd n THR 35 Cb 0.43 -1.79 -0.11 0.00 -2.10 0.00 0.00 70.33 66.76 2abd n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2abd n VAL 36 N -3.97 1.53 0.00 2.28 0.31 0.75 -5.07 118.33 114.17 2abd n VAL 36 Ca -0.46 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 2abd n VAL 36 Cb 0.89 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2abd n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2abd n GLY 37 N 1.38 0.20 3.58 2.92 0.00 0.57 -4.99 105.19 108.86 2abd n GLY 37 Ca -0.39 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.21 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 5.18 0.00 1.61 1.11 -1.26 -3.43 116.67 115.88 2abd s ASP 38 Ca 0.00 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.11 2abd s ASP 38 Cb 0.00 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.48 2abd s ASP 38 CO 0.00 -2.26 0.00 0.00 1.18 0.00 0.00 175.17 174.09 2abd n ILE 39 N 7.73 0.00 -2.22 0.77 3.06 -1.26 -4.71 119.36 122.73 2abd n ILE 39 Ca 0.30 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 60.25 2abd n ILE 39 Cb 0.49 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.69 2abd n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2abd n ASN 40 N 0.00 5.47 0.00 9.51 6.94 -1.26 -4.57 115.26 131.35 2abd n ASN 40 Ca 0.00 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.81 2abd n ASN 40 Cb 0.00 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 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 -0.56 0.00 0.00 5.53 -2.24 -1.26 -5.13 114.28 110.62 2abd n THR 41 Ca 0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2abd n THR 41 Cb 0.64 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2abd n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2abd n GLU 42 N -0.11 0.00 -2.27 -0.78 0.28 -1.26 -5.10 120.64 111.39 2abd n GLU 42 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 2abd n GLU 42 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2abd s ARG 43 N -2.68 3.54 0.41 3.44 3.52 -1.26 -4.95 118.95 120.97 2abd s ARG 43 Ca 0.00 1.06 -0.23 0.00 -0.13 0.00 0.00 55.73 56.43 2abd s ARG 43 Cb 0.00 -4.06 -0.12 0.00 -1.56 0.00 0.00 34.95 29.21 2abd s ARG 43 CO 0.00 -1.61 0.63 -2.30 -0.81 0.00 0.00 175.30 171.20 2abd n PRO 44 N 8.13 0.68 0.00 5.12 -0.02 -1.26 -4.96 135.00 142.69 2abd n PRO 44 Ca 0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2abd n PRO 44 Cb 0.48 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.69 0.04 0.00 -1.23 0.00 -1.26 -4.86 105.19 99.57 2abd n GLY 45 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.53 0.00 -0.14 1.61 2.81 -1.26 -4.08 117.12 114.54 2abd n MET 46 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 2abd n MET 46 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 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 0.00 1.94 0.00 4.03 -0.00 -1.26 -4.94 117.00 116.77 2abd n LEU 47 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 2abd n LEU 47 Cb 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 2abd n LEU 47 CO 0.00 0.53 0.00 0.47 -0.00 0.00 0.00 177.39 178.39 2abd n ASP 48 N -4.25 0.00 -0.22 1.45 9.92 -1.26 -4.70 116.55 117.50 2abd n ASP 48 Ca -0.52 0.00 0.25 0.00 -0.53 0.00 0.00 54.79 53.98 2abd n ASP 48 Cb 0.87 0.00 0.63 0.00 -0.64 0.00 0.00 41.12 41.98 2abd n ASP 48 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2abd h PHE 49 N 0.00 0.25 -0.28 1.24 -5.15 -1.92 -0.11 116.94 110.98 2abd h PHE 49 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 2abd h PHE 49 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.09 2abd h PHE 49 CO 0.00 0.05 0.00 1.17 -2.00 0.00 0.00 178.31 177.53 2abd n LYS 50 N -4.39 2.58 0.03 6.09 3.00 -1.26 -4.25 118.16 119.96 2abd n LYS 50 Ca 0.20 -1.39 0.00 0.00 -0.00 0.00 0.00 58.31 57.12 2abd n LYS 50 Cb 0.87 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 34.16 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 51 N 0.43 0.01 0.01 3.14 0.00 -0.08 -4.84 105.19 103.85 2abd n GLY 51 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.95 -0.00 -0.01 1.61 5.02 -1.03 -0.27 118.16 120.53 2abd n LYS 52 Ca 0.00 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 2abd n LYS 52 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.04 -0.26 -0.69 7.82 0.00 -1.87 -0.21 119.26 124.10 2abd h ALA 53 Ca 0.02 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2abd h ALA 53 Cb 0.04 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.23 2abd h ALA 53 CO -0.02 -0.73 -0.26 0.87 0.00 0.00 0.00 179.25 179.11 2abd h LYS 54 N -0.33 -0.07 -0.24 0.00 1.79 -1.00 0.27 116.57 117.00 2abd h LYS 54 Ca 0.11 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.63 2abd h LYS 54 Cb 0.49 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.08 2abd h LYS 54 CO -0.34 -0.05 -0.51 2.35 -1.08 0.00 0.00 179.45 179.83 2abd h TRP 55 N -0.07 -1.50 0.09 -1.35 7.01 -1.30 0.74 115.95 119.56 2abd h TRP 55 Ca 0.30 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.36 2abd h TRP 55 Cb 0.55 0.69 0.00 0.00 -2.10 0.00 0.00 29.16 28.30 2abd h TRP 55 CO -0.63 -0.51 -0.04 -0.44 -2.79 0.00 0.00 178.44 174.03 2abd h ASP 56 N -0.49 -0.10 -0.76 2.65 3.32 0.33 0.33 116.42 121.70 2abd h ASP 56 Ca 0.07 -0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.26 2abd h ASP 56 Cb 0.64 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.10 2abd h ASP 56 CO -0.49 -0.05 0.19 0.00 -1.72 0.00 0.00 179.24 177.18 2abd h ALA 57 N 0.75 1.00 -0.01 3.45 0.00 0.15 0.30 119.26 124.90 2abd h ALA 57 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2abd h ALA 57 Cb 0.12 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2abd h ALA 57 CO 0.02 -0.35 -0.07 2.35 0.00 0.00 0.00 179.25 181.20 2abd h TRP 58 N 0.27 0.10 -0.91 0.00 7.01 -0.56 -3.22 115.95 118.64 2abd h TRP 58 Ca 0.44 -0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.59 2abd h TRP 58 Cb 0.76 -0.01 -0.11 0.00 -2.10 0.00 0.00 29.16 27.69 2abd h TRP 58 CO -0.26 0.74 0.45 -0.97 -2.79 0.00 0.00 178.44 175.61 2abd h ASN 59 N -0.57 0.48 -1.04 2.65 -1.24 0.55 0.37 115.58 116.78 2abd h ASN 59 Ca -0.01 0.13 0.27 0.00 0.71 0.00 0.00 56.30 57.40 2abd h ASN 59 Cb 0.74 0.07 -0.09 0.00 0.73 0.00 0.00 38.32 39.77 2abd h ASN 59 CO 0.01 0.10 0.67 -0.08 -1.29 0.00 0.00 177.43 176.85 2abd h GLU 60 N 0.52 0.37 0.00 6.67 4.81 -0.46 -2.38 114.58 124.12 2abd h GLU 60 Ca 0.54 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2abd h GLU 60 Cb 0.95 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2abd h GLU 60 CO -0.46 0.25 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.00 2abd h LEU 61 N 0.38 -0.01 0.00 1.64 3.38 -0.35 -3.47 115.31 116.89 2abd h LEU 61 Ca 0.59 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2abd h LEU 61 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2abd h LEU 61 CO -0.28 0.85 0.00 1.17 0.09 0.00 0.00 178.44 180.26 2abd n LYS 62 N -4.67 0.00 0.00 1.13 0.00 -0.63 0.14 118.16 114.13 2abd n LYS 62 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.24 2abd n LYS 62 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.38 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 0.00 1.59 3.61 3.14 0.00 -1.26 -5.00 105.19 107.27 2abd n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2abd n GLY 63 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2abd n THR 64 N 0.00 2.47 -2.42 2.61 5.66 0.12 -4.94 114.28 117.78 2abd n THR 64 Ca 0.00 -0.34 -0.30 0.00 -3.05 0.00 0.00 64.05 60.36 2abd n THR 64 Cb 0.00 -1.07 -0.02 0.00 -1.55 0.00 0.00 70.33 67.69 2abd n THR 64 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2abd s SER 65 N -1.73 6.43 0.45 1.09 0.15 -1.26 -4.83 113.70 113.99 2abd s SER 65 Ca 0.72 1.30 0.23 0.00 0.70 0.00 0.00 55.95 58.90 2abd s SER 65 Cb -0.33 -2.40 1.23 0.00 -1.71 0.00 0.00 66.02 62.80 2abd s SER 65 CO 0.52 -0.61 1.81 0.50 1.20 0.00 0.00 173.24 176.66 2abd h LYS 66 N 0.55 0.27 -0.14 5.44 3.64 -1.87 0.33 116.57 124.78 2abd h LYS 66 Ca -0.46 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 2abd h LYS 66 Cb 1.19 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2abd h LYS 66 CO 0.62 0.18 -0.04 0.93 -2.27 0.00 0.00 179.45 178.87 2abd h GLU 67 N 0.28 0.28 -0.01 1.90 4.39 -1.92 0.26 114.58 119.75 2abd h GLU 67 Ca 0.53 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 60.13 2abd h GLU 67 Cb 1.57 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2abd h GLU 67 CO -0.18 0.57 0.00 -0.44 -1.16 0.00 0.00 179.01 177.80 2abd h ASP 68 N -0.02 0.01 -0.58 1.42 3.32 -0.80 0.34 116.42 120.11 2abd h ASP 68 Ca 0.04 -0.22 0.11 0.00 0.02 0.00 0.00 57.03 56.98 2abd h ASP 68 Cb 0.46 -0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.90 2abd h ASP 68 CO 0.01 0.23 -0.29 0.00 -1.72 0.00 0.00 179.24 177.47 2abd h ALA 69 N 0.79 0.06 0.24 3.45 0.00 -0.87 -0.95 119.26 121.98 2abd h ALA 69 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2abd h ALA 69 Cb 0.22 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2abd h ALA 69 CO -0.00 -0.62 -0.11 0.52 0.00 0.00 0.00 179.25 179.04 2abd h MET 70 N -0.13 -0.31 -0.48 0.00 2.86 -0.33 -2.56 114.93 113.98 2abd h MET 70 Ca 0.25 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 2abd h MET 70 Cb 0.53 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 2abd h MET 70 CO -0.66 -0.20 -0.40 0.87 1.06 0.00 0.00 176.91 177.58 2abd h LYS 71 N -1.08 -0.14 -0.23 1.72 1.57 -0.28 -0.85 116.57 117.27 2abd h LYS 71 Ca -0.03 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2abd h LYS 71 Cb 0.25 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 2abd h LYS 71 CO 0.05 -0.10 -0.47 0.00 -0.57 0.00 0.00 179.45 178.37 2abd h ALA 72 N -0.19 -0.64 -0.36 3.86 0.00 -1.33 -0.94 119.26 119.65 2abd h ALA 72 Ca 0.08 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 72 Cb 0.36 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2abd h ALA 72 CO -0.53 -0.96 -0.21 0.98 0.00 0.00 0.00 179.25 178.52 2abd n TYR 73 N -5.43 -0.16 0.26 0.00 9.36 -0.36 0.59 117.16 121.43 2abd n TYR 73 Ca -0.04 0.45 -0.13 0.00 3.32 0.00 0.00 57.90 61.50 2abd n TYR 73 Cb 0.36 -0.47 -0.07 0.00 -0.63 0.00 0.00 39.34 38.54 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 0.28 -1.50 2.97 2.04 -1.13 0.15 117.51 120.33 2abd h ILE 74 Ca 0.06 -0.46 0.43 0.00 1.00 0.00 0.00 64.86 65.89 2abd h ILE 74 Cb 0.15 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 2abd h ILE 74 CO -0.34 0.05 1.27 0.44 0.00 0.00 0.00 178.15 179.56 2abd h ASP 75 N -1.05 0.00 0.00 1.72 3.32 0.51 0.10 116.42 121.03 2abd h ASP 75 Ca -0.07 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.58 2abd h ASP 75 Cb 0.61 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.09 2abd h ASP 75 CO 0.12 0.00 -2.44 1.17 -1.72 0.00 0.00 179.24 176.37 2abd n LYS 76 N -3.68 0.60 -0.24 3.56 3.00 0.20 -4.56 118.16 117.04 2abd n LYS 76 Ca 0.33 0.18 0.15 0.00 -0.00 0.00 0.00 58.31 58.97 2abd n LYS 76 Cb 1.72 -1.47 0.28 0.00 0.00 0.00 0.00 35.03 35.56 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2abd n VAL 77 N -3.59 -0.30 -0.29 3.15 0.31 0.53 -0.01 118.33 118.14 2abd n VAL 77 Ca -0.47 1.52 -0.00 0.00 -0.01 0.00 0.00 64.34 65.38 2abd n VAL 77 Cb 0.93 -2.30 0.04 0.00 -0.91 0.00 0.00 33.84 31.60 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 -4.84 -0.16 -0.33 5.55 4.07 -1.17 0.16 120.64 123.91 2abd n GLU 78 Ca 0.20 1.16 0.06 0.00 -0.06 0.00 0.00 57.16 58.52 2abd n GLU 78 Cb 0.67 -1.73 0.14 0.00 -0.06 0.00 0.00 31.44 30.46 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 0.00 -0.07 5.31 5.08 -0.75 0.46 114.58 124.61 2abd h GLU 79 Ca 0.28 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2abd h GLU 79 Cb 0.47 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2abd h GLU 79 CO -0.75 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.12 2abd h LEU 80 N 0.00 0.19 -1.71 1.33 3.38 0.15 0.47 115.31 119.12 2abd h LEU 80 Ca 0.46 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2abd h LEU 80 Cb 0.74 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2abd h LEU 80 CO -0.95 0.64 0.56 0.50 0.09 0.00 0.00 178.44 179.28 2abd h LYS 81 N -0.26 0.00 0.00 1.13 3.64 0.21 0.41 116.57 121.69 2abd h LYS 81 Ca 0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2abd h LYS 81 Cb 0.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2abd h LYS 81 CO 0.02 0.00 -1.21 1.63 -2.27 0.00 0.00 179.45 177.62 2abd n LYS 82 N -3.32 0.53 -0.22 1.90 4.76 0.98 -2.00 118.16 120.80 2abd n LYS 82 Ca 0.06 0.24 0.01 0.00 -2.87 0.00 0.00 58.31 55.76 2abd n LYS 82 Cb 0.71 -1.46 0.09 0.00 -1.84 0.00 0.00 35.03 32.53 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 0.05 0.00 1.97 3.64 0.45 -3.32 116.57 118.37 2abd h LYS 83 Ca -0.11 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 2abd h LYS 83 Cb 1.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2abd h LYS 83 CO -0.07 0.03 -1.35 0.66 -2.27 0.00 0.00 179.45 176.45 2abd n TYR 84 N -5.38 0.00 -3.31 1.91 4.01 0.11 -4.96 117.16 109.54 2abd n TYR 84 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2abd n TYR 84 Cb 0.37 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 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 2.01 1.47 0.24 2.72 0.00 0.73 -3.84 105.19 108.51 2abd n GLY 85 Ca -0.23 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.31 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83