#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 0.31 0.00 4.33 0.00 -1.26 -5.11 117.38 115.64 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2abd n ALA 3 N -3.00 0.00 1.31 2.61 0.00 -1.26 -4.93 120.51 115.24 2abd n ALA 3 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2abd n ALA 3 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 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 1.91 -0.19 0.00 0.28 -1.26 -4.51 120.64 116.86 2abd n GLU 4 Ca 0.00 -1.32 0.00 0.00 -0.16 0.00 0.00 57.16 55.68 2abd n GLU 4 Cb 0.00 -1.47 0.03 0.00 1.43 0.00 0.00 31.44 31.43 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 0.61 0.04 0.21 -1.84 7.35 -1.26 0.23 117.46 122.80 2abd n PHE 5 Ca 0.17 0.61 0.06 0.00 -0.76 0.00 0.00 57.45 57.53 2abd n PHE 5 Cb 0.45 -0.70 0.48 0.00 0.35 0.00 0.00 39.48 40.05 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 0.05 -2.13 3.32 -1.95 0.30 116.42 116.00 2abd h ASP 6 Ca 0.18 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.03 2abd h ASP 6 Cb 0.31 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.88 2abd h ASP 6 CO -0.50 0.27 -0.83 0.50 -1.72 0.00 0.00 179.24 176.96 2abd h LYS 7 N 0.00 0.48 0.11 3.56 3.11 0.26 0.28 116.57 124.37 2abd h LYS 7 Ca -0.00 -0.58 0.02 0.00 -2.81 0.00 0.00 60.65 57.28 2abd h LYS 7 Cb 0.55 0.18 -0.05 0.00 -1.00 0.00 0.00 32.23 31.91 2abd h LYS 7 CO 0.04 1.22 -0.42 0.00 -2.81 0.00 0.00 179.45 177.47 2abd h ALA 8 N 0.28 -0.74 -0.31 5.00 0.00 0.12 0.34 119.26 123.95 2abd h ALA 8 Ca -0.12 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2abd h ALA 8 Cb 1.55 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 19.97 2abd h ALA 8 CO 0.16 -0.99 -0.23 0.00 0.00 0.00 0.00 179.25 178.19 2abd h ALA 9 N -0.17 -0.06 -0.81 0.00 0.00 -0.42 0.25 119.26 118.05 2abd h ALA 9 Ca 0.02 0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.23 2abd h ALA 9 Cb 0.68 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2abd h ALA 9 CO -0.25 -0.64 -0.00 1.49 0.00 0.00 0.00 179.25 179.85 2abd h GLU 10 N -0.21 0.08 0.04 0.00 4.81 1.00 0.61 114.58 120.91 2abd h GLU 10 Ca 0.16 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2abd h GLU 10 Cb 0.46 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.83 2abd h GLU 10 CO -0.43 0.05 -0.37 0.93 -0.73 0.00 0.00 179.01 178.46 2abd h GLU 11 N 0.08 0.18 -0.94 1.92 5.08 -0.05 -3.31 114.58 117.54 2abd h GLU 11 Ca 0.45 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2abd h GLU 11 Cb 0.82 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 2abd h GLU 11 CO -0.73 1.04 0.58 -0.24 -1.00 0.00 0.00 179.01 178.66 2abd h VAL 12 N -0.55 0.97 0.00 3.13 3.04 -0.08 0.23 116.25 122.99 2abd h VAL 12 Ca -0.06 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2abd h VAL 12 Cb 1.20 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2abd h VAL 12 CO 0.07 0.18 0.00 0.29 -1.01 0.00 0.00 177.57 177.10 2abd n LYS 13 N -4.63 0.40 -0.04 4.17 5.02 0.16 -3.25 118.16 120.00 2abd n LYS 13 Ca 0.16 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.39 2abd n LYS 13 Cb 0.27 -1.49 -0.04 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 -0.99 0.00 0.00 2.13 8.25 0.73 -5.08 115.22 120.26 2abd n HIS 14 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2abd n HIS 14 Cb 0.04 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 -2.81 0.00 -0.14 2.41 4.77 -0.67 -4.67 117.00 115.90 2abd n LEU 15 Ca -0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.94 2abd n LEU 15 Cb 0.66 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.96 2abd n LEU 15 CO 0.08 0.00 0.41 0.29 -1.33 0.00 0.00 177.39 176.84 2abd n LYS 16 N 0.00 -0.03 -4.23 3.23 5.02 0.37 -4.26 118.16 118.26 2abd n LYS 16 Ca 0.00 0.59 -0.24 0.00 -2.02 0.00 0.00 58.31 56.64 2abd n LYS 16 Cb 0.00 -1.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 2abd n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2abd s THR 17 N -4.80 2.82 -0.89 -0.18 2.01 -1.26 -5.07 115.64 108.26 2abd s THR 17 Ca -0.04 -1.85 -0.15 0.00 0.31 0.00 0.00 61.69 59.96 2abd s THR 17 Cb 0.14 -2.88 0.20 0.00 0.01 0.00 0.00 72.50 69.97 2abd s THR 17 CO 0.32 -0.20 0.90 -0.75 -0.69 0.00 0.00 174.62 174.21 2abd s LYS 18 N -3.77 3.68 0.01 4.92 2.20 -1.26 -4.94 119.74 120.57 2abd s LYS 18 Ca 0.36 -2.38 -0.02 0.00 -0.36 0.00 0.00 55.97 53.58 2abd s LYS 18 Cb -0.01 -4.58 -0.01 0.00 -1.51 0.00 0.00 37.83 31.72 2abd s LYS 18 CO 0.21 -1.41 0.03 -2.30 -0.36 0.00 0.00 175.35 171.51 2abd n PRO 19 N 4.50 0.00 -1.82 4.03 -0.02 -1.26 -4.75 135.00 135.68 2abd n PRO 19 Ca 0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 2abd n PRO 19 Cb 0.47 -0.06 -0.01 0.00 -0.02 0.00 0.00 33.50 33.88 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 -0.06 3.63 0.21 3.55 0.00 -1.26 -4.66 121.76 123.17 2abd s ALA 20 Ca 0.04 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 2abd s ALA 20 Cb -0.05 -3.61 0.18 0.00 0.00 0.00 0.00 23.12 19.63 2abd s ALA 20 CO 0.03 -0.99 1.55 -0.44 0.00 0.00 0.00 175.76 175.92 2abd h ASP 21 N 3.77 -1.50 -0.94 0.00 5.19 -1.97 0.45 116.42 121.42 2abd h ASP 21 Ca -0.49 0.30 0.26 0.00 -0.62 0.00 0.00 57.03 56.48 2abd h ASP 21 Cb 1.23 0.76 -0.14 0.00 0.18 0.00 0.00 39.33 41.36 2abd h ASP 21 CO 0.70 -0.29 0.41 -0.33 -3.12 0.00 0.00 179.24 176.61 2abd h GLU 22 N -0.03 0.31 0.00 3.56 3.07 -2.00 0.61 114.58 120.11 2abd h GLU 22 Ca 0.31 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.93 2abd h GLU 22 Cb 0.57 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2abd h GLU 22 CO -0.94 0.20 -0.92 0.93 -1.40 0.00 0.00 179.01 176.88 2abd h GLU 23 N 0.32 0.35 -0.94 2.33 5.08 -0.48 -3.05 114.58 118.19 2abd h GLU 23 Ca 0.62 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2abd h GLU 23 Cb 1.30 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 2abd h GLU 23 CO -0.60 1.06 0.62 0.52 -1.00 0.00 0.00 179.01 179.61 2abd h MET 24 N 0.20 1.19 -0.84 2.33 2.86 0.96 -2.92 114.93 118.70 2abd h MET 24 Ca -0.07 -0.07 0.20 0.00 -2.06 0.00 0.00 59.70 57.70 2abd h MET 24 Cb 1.56 -0.27 -0.15 0.00 0.06 0.00 0.00 31.60 32.80 2abd h MET 24 CO 0.15 0.79 -0.04 -0.07 1.06 0.00 0.00 176.91 178.81 2abd h LEU 25 N 1.23 -0.48 0.33 1.22 3.38 0.13 0.40 115.31 121.51 2abd h LEU 25 Ca 0.36 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 2abd h LEU 25 Cb -0.07 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2abd h LEU 25 CO -0.09 -0.25 -0.16 0.15 0.09 0.00 0.00 178.44 178.18 2abd h PHE 26 N 0.06 -0.41 -0.97 1.13 3.57 -1.63 0.32 116.94 119.02 2abd h PHE 26 Ca 0.46 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.04 2abd h PHE 26 Cb 0.84 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 39.60 2abd h PHE 26 CO -0.50 -0.25 -0.58 0.82 -2.23 0.00 0.00 178.31 175.57 2abd h ILE 27 N -0.45 0.00 0.49 1.41 5.03 -1.48 -0.15 117.51 122.37 2abd h ILE 27 Ca -0.04 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.68 2abd h ILE 27 Cb 0.34 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.11 2abd h ILE 27 CO 0.07 0.00 -0.46 0.22 -0.68 0.00 0.00 178.15 177.30 2abd h TYR 28 N -0.00 -1.27 -0.20 1.37 3.20 -0.21 0.75 116.97 120.60 2abd h TYR 28 Ca 0.16 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.08 2abd h TYR 28 Cb 0.40 0.49 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 2abd h TYR 28 CO -1.02 -0.62 -0.43 0.66 -1.64 0.00 0.00 178.16 175.11 2abd h SER 29 N -0.94 -1.36 0.58 -2.11 4.64 0.11 0.43 113.55 114.90 2abd h SER 29 Ca -0.06 0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2abd h SER 29 Cb 0.81 0.56 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 2abd h SER 29 CO -0.04 -0.41 -0.28 0.45 -0.87 0.00 0.00 176.83 175.68 2abd h HIS 30 N -0.45 -0.73 -0.14 4.77 3.86 -1.02 -1.16 115.15 120.28 2abd h HIS 30 Ca 0.09 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 2abd h HIS 30 Cb 0.62 0.24 -0.06 0.00 1.06 0.00 0.00 27.41 29.27 2abd h HIS 30 CO -0.52 -0.40 -0.46 -0.92 0.86 0.00 0.00 177.93 176.49 2abd h TYR 31 N -0.95 -1.37 -0.73 2.45 5.03 0.84 0.42 116.97 122.66 2abd h TYR 31 Ca -0.08 0.05 0.13 0.00 2.58 0.00 0.00 58.73 61.42 2abd h TYR 31 Cb 0.65 0.62 -0.13 0.00 1.55 0.00 0.00 36.73 39.41 2abd h TYR 31 CO -0.01 -0.45 -0.28 0.87 -1.32 0.00 0.00 178.16 176.98 2abd h LYS 32 N -0.47 -0.06 0.49 1.82 1.79 -0.16 0.37 116.57 120.34 2abd h LYS 32 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2abd h LYS 32 Cb 0.56 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2abd h LYS 32 CO -0.38 -0.04 -0.34 1.96 -1.08 0.00 0.00 179.45 179.56 2abd h GLN 33 N -0.07 -0.78 -0.78 3.15 1.08 0.36 0.31 115.11 118.39 2abd h GLN 33 Ca 0.31 0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.74 2abd h GLN 33 Cb 0.56 0.18 -0.12 0.00 -0.05 0.00 0.00 27.48 28.05 2abd h GLN 33 CO -0.77 -0.52 0.20 0.00 -0.95 0.00 0.00 178.83 176.79 2abd h ALA 34 N -0.39 1.04 0.00 3.87 0.00 0.13 -2.48 119.26 121.42 2abd h ALA 34 Ca -0.05 0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 2abd h ALA 34 Cb 0.67 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2abd h ALA 34 CO 0.03 -0.36 -2.06 0.25 0.00 0.00 0.00 179.25 177.11 2abd n THR 35 N -5.16 1.53 -0.07 0.00 -2.24 0.11 -4.80 114.28 103.65 2abd n THR 35 Ca 0.16 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.62 2abd n THR 35 Cb 0.51 -1.97 -0.05 0.00 -2.10 0.00 0.00 70.33 66.72 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 0.51 0.00 2.28 2.07 -0.67 -3.51 116.25 115.94 2abd h VAL 36 Ca -0.55 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.51 2abd h VAL 36 Cb 1.46 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2abd h VAL 36 CO -0.33 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.04 2abd n GLY 37 N 1.65 0.43 3.59 2.17 0.00 0.47 -5.00 105.19 108.51 2abd n GLY 37 Ca -0.09 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 5.75 0.00 1.61 1.11 -1.26 -3.53 116.67 116.35 2abd s ASP 38 Ca 0.00 1.31 0.00 0.00 0.18 0.00 0.00 52.55 54.04 2abd s ASP 38 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2abd s ASP 38 CO 0.00 -1.82 0.00 0.00 1.18 0.00 0.00 175.17 174.53 2abd n ILE 39 N 7.47 0.00 -1.85 0.77 3.06 -1.26 -4.71 119.36 122.83 2abd n ILE 39 Ca 0.24 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 60.20 2abd n ILE 39 Cb 0.47 0.00 0.04 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 6.02 0.00 9.51 6.94 -1.26 -4.64 115.26 131.82 2abd n ASN 40 Ca 0.00 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 50.79 2abd n ASN 40 Cb 0.00 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 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 -0.73 0.00 0.00 5.53 -2.24 -1.26 -5.15 114.28 110.43 2abd n THR 41 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2abd n THR 41 Cb 0.77 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.27 0.00 -2.52 -0.78 0.28 -1.26 -5.09 120.64 111.00 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 -3.21 3.61 0.50 3.44 3.52 -1.26 -4.94 118.95 120.61 2abd s ARG 43 Ca 0.00 0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 55.98 2abd s ARG 43 Cb 0.00 -3.97 -0.13 0.00 -1.56 0.00 0.00 34.95 29.28 2abd s ARG 43 CO 0.00 -1.53 0.08 -2.30 -0.81 0.00 0.00 175.30 170.74 2abd n PRO 44 N 8.09 0.15 0.00 5.12 -0.02 -1.26 -4.87 135.00 142.21 2abd n PRO 44 Ca 0.12 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2abd n PRO 44 Cb 0.49 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 2.28 0.00 0.00 -1.23 0.00 -1.26 -4.74 105.19 100.24 2abd n GLY 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2abd n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2abd n MET 46 N 0.00 0.00 -2.66 1.61 1.56 -1.26 -4.51 117.12 111.86 2abd n MET 46 Ca 0.00 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.22 2abd n MET 46 Cb 0.00 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.41 2abd n MET 46 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2abd s LEU 47 N -7.64 3.30 -0.13 -0.89 1.43 -1.26 -5.08 118.68 108.41 2abd s LEU 47 Ca 0.00 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2abd s LEU 47 Cb 0.00 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2abd s LEU 47 CO 0.00 -1.11 0.01 -1.81 0.23 0.00 0.00 176.35 173.67 2abd s ASP 48 N -4.41 5.29 0.35 2.29 1.11 -1.26 -5.00 116.67 115.04 2abd s ASP 48 Ca 0.57 0.08 0.04 0.00 0.18 0.00 0.00 52.55 53.42 2abd s ASP 48 Cb -0.10 -1.69 -0.03 0.00 1.07 0.00 0.00 42.92 42.16 2abd s ASP 48 CO 0.38 0.28 0.16 -0.36 1.18 0.00 0.00 175.17 176.81 2abd s PHE 49 N -0.29 1.72 0.00 4.23 0.08 -1.26 -5.04 117.98 117.41 2abd s PHE 49 Ca 0.07 -1.35 -0.01 0.00 0.12 0.00 0.00 56.93 55.75 2abd s PHE 49 Cb -0.12 -0.99 -0.07 0.00 -0.57 0.00 0.00 43.02 41.28 2abd s PHE 49 CO 0.02 -0.45 2.14 1.17 -0.10 0.00 0.00 175.22 178.00 2abd n LYS 50 N -0.73 1.10 0.03 0.44 4.81 -1.26 -1.86 118.16 120.70 2abd n LYS 50 Ca -0.01 -0.24 -0.01 0.00 -0.87 0.00 0.00 58.31 57.17 2abd n LYS 50 Cb 0.65 -1.31 -0.00 0.00 0.02 0.00 0.00 35.03 34.38 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 51 N 1.85 -0.07 0.40 3.14 0.00 -1.26 -4.68 105.19 104.57 2abd n GLY 51 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2abd n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2abd h LYS 52 N -0.07 -0.35 -0.31 1.61 1.63 -1.73 -2.57 116.57 114.78 2abd h LYS 52 Ca -0.01 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2abd h LYS 52 Cb 0.23 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 2abd h LYS 52 CO -0.00 -0.23 -0.18 0.00 -3.45 0.00 0.00 179.45 175.58 2abd n ALA 53 N -3.04 -0.20 -0.13 5.00 0.00 -1.20 0.29 120.51 121.23 2abd n ALA 53 Ca -0.01 0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 2abd n ALA 53 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.24 -0.24 0.00 6.56 -1.75 0.21 116.57 121.10 2abd h LYS 54 Ca 0.05 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.69 2abd h LYS 54 Cb 0.13 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.78 2abd h LYS 54 CO -0.29 -0.16 -0.49 2.35 -2.06 0.00 0.00 179.45 178.79 2abd h TRP 55 N -0.25 -1.49 0.05 -1.35 7.01 0.44 0.65 115.95 121.00 2abd h TRP 55 Ca 0.17 0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.26 2abd h TRP 55 Cb 0.55 0.68 -0.03 0.00 -2.10 0.00 0.00 29.16 28.25 2abd h TRP 55 CO -0.56 -0.46 -0.20 -0.44 -2.79 0.00 0.00 178.44 173.99 2abd h ASP 56 N -0.44 -0.57 -0.60 2.65 5.19 0.03 0.46 116.42 123.15 2abd h ASP 56 Ca 0.05 0.08 0.12 0.00 -0.62 0.00 0.00 57.03 56.66 2abd h ASP 56 Cb 0.57 0.23 -0.10 0.00 0.18 0.00 0.00 39.33 40.20 2abd h ASP 56 CO -0.46 -0.27 -0.03 0.00 -3.12 0.00 0.00 179.24 175.35 2abd h ALA 57 N 0.51 0.54 0.15 3.45 0.00 -0.08 0.89 119.26 124.73 2abd h ALA 57 Ca 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2abd h ALA 57 Cb 0.40 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2abd h ALA 57 CO -0.15 -0.40 -0.07 2.35 0.00 0.00 0.00 179.25 180.97 2abd h TRP 58 N 0.09 -0.19 -0.79 0.00 7.01 -0.19 -3.13 115.95 118.76 2abd h TRP 58 Ca 0.31 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.45 2abd h TRP 58 Cb 0.49 0.06 -0.14 0.00 -2.10 0.00 0.00 29.16 27.47 2abd h TRP 58 CO -0.39 0.15 -0.28 -0.97 -2.79 0.00 0.00 178.44 174.17 2abd h ASN 59 N -0.55 -1.01 -1.47 2.65 -1.24 0.71 0.27 115.58 114.94 2abd h ASN 59 Ca -0.02 0.25 0.49 0.00 0.71 0.00 0.00 56.30 57.73 2abd h ASN 59 Cb 0.42 0.58 -0.12 0.00 0.73 0.00 0.00 38.32 39.92 2abd h ASN 59 CO 0.03 -0.28 0.98 1.21 -1.29 0.00 0.00 177.43 178.08 2abd n GLU 60 N -5.49 -0.03 0.05 6.67 2.13 0.23 -0.68 120.64 123.52 2abd n GLU 60 Ca 0.09 1.19 -0.20 0.00 0.66 0.00 0.00 57.16 58.90 2abd n GLU 60 Cb 0.40 -2.42 -0.14 0.00 0.27 0.00 0.00 31.44 29.55 2abd n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2abd h LEU 61 N 0.00 0.51 0.00 4.31 3.38 -0.56 -3.47 115.31 119.48 2abd h LEU 61 Ca 0.87 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2abd h LEU 61 Cb 2.97 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 43.56 2abd h LEU 61 CO -0.36 1.38 0.00 1.17 0.09 0.00 0.00 178.44 180.72 2abd n LYS 62 N -4.12 0.00 0.00 1.13 0.00 0.15 -0.16 118.16 115.16 2abd n LYS 62 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.18 2abd n LYS 62 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.84 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 1.74 3.84 3.14 0.00 -1.26 -4.98 105.19 107.67 2abd n GLY 63 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.74 4.51 -0.43 2.61 -1.32 0.77 -4.85 115.64 115.19 2abd s THR 64 Ca 0.00 1.19 -0.39 0.00 -1.21 0.00 0.00 61.69 61.28 2abd s THR 64 Cb 0.00 -3.71 -0.15 0.00 -1.51 0.00 0.00 72.50 67.13 2abd s THR 64 CO 0.00 -0.70 2.18 -0.24 -2.21 0.00 0.00 174.62 173.65 2abd n SER 65 N -1.63 1.46 -0.52 8.08 2.88 -1.26 -4.67 113.62 117.95 2abd n SER 65 Ca 0.07 0.52 0.42 0.00 -1.33 0.00 0.00 58.87 58.55 2abd n SER 65 Cb 0.54 -1.09 0.71 0.00 -0.75 0.00 0.00 64.21 63.62 2abd n SER 65 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2abd h LYS 66 N 10.90 0.04 0.04 -1.46 3.64 -1.89 1.18 116.57 129.00 2abd h LYS 66 Ca -0.19 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 2abd h LYS 66 Cb 1.37 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.19 2abd h LYS 66 CO 1.06 0.02 -0.54 0.93 -2.27 0.00 0.00 179.45 178.66 2abd h GLU 67 N 0.04 0.30 -0.22 1.90 3.07 -1.88 -3.15 114.58 114.63 2abd h GLU 67 Ca 0.86 -0.37 0.06 0.00 -0.50 0.00 0.00 59.36 59.40 2abd h GLU 67 Cb 2.98 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 30.94 2abd h GLU 67 CO -0.29 1.09 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.80 2abd h ASP 68 N -0.32 -0.55 -0.98 1.42 5.19 0.99 0.52 116.42 122.68 2abd h ASP 68 Ca -0.08 0.11 0.19 0.00 -0.62 0.00 0.00 57.03 56.63 2abd h ASP 68 Cb 1.31 0.28 -0.18 0.00 0.18 0.00 0.00 39.33 40.91 2abd h ASP 68 CO 0.10 -0.21 -0.27 0.00 -3.12 0.00 0.00 179.24 175.74 2abd n ALA 69 N -2.68 0.17 0.24 3.45 0.00 -0.03 0.27 120.51 121.94 2abd n ALA 69 Ca -0.01 1.07 -0.13 0.00 0.00 0.00 0.00 53.44 54.36 2abd n ALA 69 Cb 0.24 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 2abd n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2abd h MET 70 N 0.00 -0.62 -0.09 0.00 2.86 -1.09 0.79 114.93 116.79 2abd h MET 70 Ca 0.45 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 58.15 2abd h MET 70 Cb 0.70 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.45 2abd h MET 70 CO -1.01 -0.32 -0.39 1.57 1.06 0.00 0.00 176.91 177.82 2abd h LYS 71 N -0.99 -0.41 -0.49 1.72 2.10 0.09 -0.98 116.57 117.61 2abd h LYS 71 Ca -0.07 0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.66 2abd h LYS 71 Cb 0.59 0.09 -0.08 0.00 -0.90 0.00 0.00 32.23 31.94 2abd h LYS 71 CO 0.11 -0.28 -0.48 0.00 -2.00 0.00 0.00 179.45 176.81 2abd h ALA 72 N -0.63 -0.63 -0.92 0.07 0.00 -0.28 0.31 119.26 117.17 2abd h ALA 72 Ca 0.02 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 72 Cb 0.50 1.14 -0.16 0.00 0.00 0.00 0.00 17.79 19.27 2abd h ALA 72 CO -0.31 -0.89 -0.32 0.98 0.00 0.00 0.00 179.25 178.71 2abd n TYR 73 N -4.92 0.13 0.19 0.00 9.36 0.27 0.58 117.16 122.77 2abd n TYR 73 Ca -0.02 1.14 -0.08 0.00 3.32 0.00 0.00 57.90 62.26 2abd n TYR 73 Cb 0.26 -0.91 -0.04 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 -0.93 2.97 2.04 0.18 0.51 117.51 122.28 2abd h ILE 74 Ca 0.36 -0.29 0.33 0.00 1.00 0.00 0.00 64.86 66.26 2abd h ILE 74 Cb 0.59 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 2abd h ILE 74 CO -0.93 0.00 0.59 0.47 0.00 0.00 0.00 178.15 178.28 2abd n ASP 75 N -4.20 0.15 -0.12 1.72 8.00 0.91 0.78 116.55 123.80 2abd n ASP 75 Ca -0.07 0.97 -0.15 0.00 0.71 0.00 0.00 54.79 56.25 2abd n ASP 75 Cb 0.21 -0.47 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 2abd n ASP 75 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2abd n LYS 76 N -4.09 0.67 -0.34 -1.24 0.00 0.19 -4.45 118.16 108.89 2abd n LYS 76 Ca 0.28 0.10 0.23 0.00 0.00 0.00 0.00 58.31 58.92 2abd n LYS 76 Cb 1.06 -1.53 0.46 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 0.37 -0.96 3.15 2.07 0.56 0.24 116.25 121.68 2abd h VAL 77 Ca -0.56 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 66.99 2abd h VAL 77 Cb 2.02 -0.05 -0.16 0.00 -1.52 0.00 0.00 31.29 31.58 2abd h VAL 77 CO -0.04 0.07 -0.34 -0.08 0.02 0.00 0.00 177.57 177.19 2abd h GLU 78 N 0.39 -0.01 -0.99 1.57 4.57 -1.67 0.75 114.58 119.18 2abd h GLU 78 Ca 0.71 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 59.15 2abd h GLU 78 Cb 1.60 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 30.00 2abd h GLU 78 CO -0.54 -0.01 0.01 0.93 -1.18 0.00 0.00 179.01 178.22 2abd h GLU 79 N -0.01 0.00 -0.03 1.92 4.39 -0.80 0.34 114.58 120.39 2abd h GLU 79 Ca 0.37 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 2abd h GLU 79 Cb 0.63 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2abd h GLU 79 CO -0.97 0.00 -0.38 -0.07 -1.16 0.00 0.00 179.01 176.43 2abd h LEU 80 N 0.00 0.38 -2.09 1.33 3.38 0.22 0.56 115.31 119.09 2abd h LEU 80 Ca 0.60 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2abd h LEU 80 Cb 1.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2abd h LEU 80 CO -0.94 1.05 0.33 0.50 0.09 0.00 0.00 178.44 179.47 2abd h LYS 81 N -0.25 0.00 0.00 1.13 3.64 0.22 0.35 116.57 121.66 2abd h LYS 81 Ca -0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2abd h LYS 81 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2abd h LYS 81 CO 0.08 0.00 -1.21 1.17 -2.27 0.00 0.00 179.45 177.22 2abd n LYS 82 N -3.43 0.53 -0.27 1.90 4.81 0.90 -2.48 118.16 120.13 2abd n LYS 82 Ca 0.02 0.25 0.03 0.00 -0.87 0.00 0.00 58.31 57.74 2abd n LYS 82 Cb 0.44 -1.46 0.12 0.00 0.02 0.00 0.00 35.03 34.15 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2abd h LYS 83 N -1.00 0.02 0.00 1.64 1.63 0.70 -3.26 116.57 116.31 2abd h LYS 83 Ca -0.11 -0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.38 2abd h LYS 83 Cb 1.06 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.64 2abd h LYS 83 CO -0.07 0.01 -2.05 0.66 -3.45 0.00 0.00 179.45 174.56 2abd n TYR 84 N -5.48 0.00 -0.89 1.91 4.01 0.92 -5.04 117.16 112.59 2abd n TYR 84 Ca 0.12 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.96 2abd n TYR 84 Cb 0.43 -0.68 -0.02 0.00 -0.31 0.00 0.00 39.34 38.76 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 1.99 -0.92 0.13 2.72 0.00 0.51 -3.94 105.19 105.68 2abd n GLY 85 Ca -0.36 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.10 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83