#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ner s SER 2 N 0.00 7.27 0.57 0.00 0.01 -1.26 -5.04 113.70 115.24 1ner s SER 2 Ca 0.00 1.51 -0.17 0.00 1.31 0.00 0.00 55.95 58.60 1ner s SER 2 Cb 0.00 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 1ner s SER 2 CO 0.00 0.11 1.05 0.21 0.41 0.00 0.00 173.24 175.02 1ner s ASN 3 N -0.56 5.93 0.15 2.44 2.47 -1.26 -5.00 114.94 119.11 1ner s ASN 3 Ca 0.37 1.84 -0.30 0.00 0.42 0.00 0.00 52.86 55.18 1ner s ASN 3 Cb -0.21 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 36.98 1ner s ASN 3 CO 0.24 -1.06 0.97 -1.83 -3.72 0.00 0.00 177.10 171.69 1ner s GLU 4 N -3.88 4.73 0.91 0.43 -1.05 -1.26 -4.72 118.70 113.84 1ner s GLU 4 Ca 0.64 1.48 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 1ner s GLU 4 Cb -0.16 -3.35 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 1ner s GLU 4 CO 0.33 0.27 0.00 1.63 0.95 0.00 0.00 175.26 178.44 1ner n LYS 5 N 2.46 0.00 0.06 -4.83 4.76 -1.26 -4.11 118.16 115.24 1ner n LYS 5 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1ner n LYS 5 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ner n ALA 6 N 6.29 0.00 0.00 7.82 0.00 -1.26 -4.99 120.51 128.37 1ner n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ner n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ner n ALA 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ner n ARG 7 N -2.71 0.00 -1.45 0.00 5.12 -1.26 -5.09 116.66 111.26 1ner n ARG 7 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1ner n ARG 7 Cb 0.00 -0.47 0.21 0.00 -1.16 0.00 0.00 32.46 31.05 1ner n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ner s ASP 8 N -1.55 1.92 0.23 0.55 1.01 -1.26 -4.65 116.67 112.92 1ner s ASP 8 Ca 0.00 0.49 -0.30 0.00 0.71 0.00 0.00 52.55 53.45 1ner s ASP 8 Cb 0.00 -0.65 -0.09 0.00 1.01 0.00 0.00 42.92 43.18 1ner s ASP 8 CO 0.00 -3.49 1.36 0.26 0.21 0.00 0.00 175.17 173.50 1ner s TRP 9 N -3.39 3.15 0.42 4.23 0.52 -1.19 -4.76 118.94 117.93 1ner s TRP 9 Ca 0.72 1.17 -0.22 0.00 0.02 0.00 0.00 56.10 57.79 1ner s TRP 9 Cb -0.07 -3.69 -0.13 0.00 -1.15 0.00 0.00 33.47 28.43 1ner s TRP 9 CO 0.55 -2.16 0.46 1.58 0.02 0.00 0.00 176.95 177.39 1ner n HIS 10 N 2.34 -0.82 -0.32 -1.98 -0.00 -1.26 -4.61 115.22 108.57 1ner n HIS 10 Ca 0.06 0.60 0.24 0.00 0.46 0.00 0.00 57.72 59.07 1ner n HIS 10 Cb 0.42 -1.95 0.53 0.00 -0.12 0.00 0.00 29.99 28.87 1ner n HIS 10 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1ner h ARG 11 N 0.68 0.34 0.00 1.57 -0.00 -1.96 0.81 114.38 115.83 1ner h ARG 11 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 1ner h ARG 11 Cb 1.41 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 1ner h ARG 11 CO 0.50 0.23 -0.61 0.00 -0.00 0.00 0.00 179.97 180.09 1ner h ALA 12 N 1.60 0.65 0.00 0.08 0.00 -1.99 -3.15 119.26 116.45 1ner h ALA 12 Ca 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1ner h ALA 12 Cb 1.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ner h ALA 12 CO -0.27 0.00 -0.14 -0.44 0.00 0.00 0.00 179.25 178.40 1ner h ASP 13 N 0.00 0.00 0.00 0.00 5.19 0.37 1.16 116.42 123.14 1ner h ASP 13 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ner h ASP 13 Cb 0.87 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1ner h ASP 13 CO 0.00 0.14 -0.04 0.58 -3.12 0.00 0.00 179.24 176.81 1ner h VAL 14 N 0.00 0.62 0.84 -1.35 2.07 -1.40 -2.01 116.25 115.02 1ner h VAL 14 Ca -0.00 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 1ner h VAL 14 Cb 0.51 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ner h VAL 14 CO 0.02 0.21 -0.40 0.40 0.02 0.00 0.00 177.57 177.82 1ner h ILE 15 N -1.00 0.03 0.33 4.57 5.03 -1.48 -2.40 117.51 122.59 1ner h ILE 15 Ca -0.01 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 64.57 1ner h ILE 15 Cb 0.37 0.04 -0.03 0.00 -3.03 0.00 0.00 36.82 34.17 1ner h ILE 15 CO -0.00 0.00 -0.43 0.00 -0.68 0.00 0.00 178.15 177.04 1ner h ALA 16 N -1.25 -0.89 -0.67 1.87 0.00 0.12 0.25 119.26 118.69 1ner h ALA 16 Ca -0.11 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ner h ALA 16 Cb 0.87 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1ner h ALA 16 CO 0.19 -1.05 -0.29 0.78 0.00 0.00 0.00 179.25 178.87 1ner h GLY 17 N -0.81 0.10 1.11 0.00 0.00 -1.37 0.11 103.07 102.20 1ner h GLY 17 Ca -0.02 0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 1ner h GLY 17 CO -0.12 -0.23 -0.10 1.41 0.00 0.00 0.00 176.54 177.49 1ner h LEU 18 N -0.10 1.04 -2.18 3.11 3.38 -1.12 -2.71 115.31 116.72 1ner h LEU 18 Ca 0.28 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ner h LEU 18 Cb 0.55 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ner h LEU 18 CO -0.73 1.15 -0.03 0.11 0.09 0.00 0.00 178.44 179.03 1ner h LYS 19 N 0.92 0.00 -0.71 1.13 1.57 0.16 -2.76 116.57 116.88 1ner h LYS 19 Ca 0.14 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1ner h LYS 19 Cb 0.68 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1ner h LYS 19 CO 0.05 0.03 0.47 0.87 -0.57 0.00 0.00 179.45 180.30 1ner h LYS 20 N 0.00 0.51 0.00 3.15 1.57 -0.55 -3.36 116.57 117.90 1ner h LYS 20 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ner h LYS 20 Cb 0.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1ner h LYS 20 CO 0.00 0.34 0.00 0.54 -0.57 0.00 0.00 179.45 179.76 1ner n ARG 21 N -4.49 0.00 -2.84 3.15 1.74 -1.05 -5.00 116.66 108.17 1ner n ARG 21 Ca 0.12 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1ner n ARG 21 Cb 0.40 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.89 1ner n ARG 21 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1ner n LYS 22 N 0.00 0.97 -4.03 5.56 2.85 -1.24 -5.13 118.16 117.13 1ner n LYS 22 Ca 0.00 -2.24 -0.12 0.00 -1.05 0.00 0.00 58.31 54.90 1ner n LYS 22 Cb 0.00 -1.23 -0.12 0.00 -0.65 0.00 0.00 35.03 33.03 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ner s LEU 23 N -2.05 2.19 -0.14 -5.58 1.43 -1.17 -5.01 118.68 108.35 1ner s LEU 23 Ca 0.27 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 1ner s LEU 23 Cb 0.29 -0.08 0.05 0.00 0.03 0.00 0.00 46.19 46.48 1ner s LEU 23 CO -0.09 -0.18 0.35 -0.94 0.23 0.00 0.00 176.35 175.73 1ner s SER 24 N -1.20 -0.41 0.54 2.29 1.04 -1.26 -3.37 113.70 111.33 1ner s SER 24 Ca -0.09 0.75 0.38 0.00 0.48 0.00 0.00 55.95 57.46 1ner s SER 24 Cb -0.08 0.66 1.55 0.00 0.10 0.00 0.00 66.02 68.26 1ner s SER 24 CO -0.00 -0.17 1.77 -0.07 0.98 0.00 0.00 173.24 175.75 1ner h LEU 25 N 6.70 0.03 -1.06 2.42 3.38 -1.98 1.08 115.31 125.89 1ner h LEU 25 Ca -0.35 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1ner h LEU 25 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ner h LEU 25 CO 0.31 0.00 -0.30 -1.28 0.09 0.00 0.00 178.44 177.26 1ner h SER 26 N 0.02 0.30 0.37 -0.43 0.87 -1.95 -0.12 113.55 112.62 1ner h SER 26 Ca 0.63 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.07 1ner h SER 26 Cb 2.45 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.33 1ner h SER 26 CO -0.03 0.59 -0.18 0.00 -0.53 0.00 0.00 176.83 176.68 1ner h ALA 27 N 1.43 -0.56 -0.25 6.23 0.00 0.82 -2.08 119.26 124.85 1ner h ALA 27 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ner h ALA 27 Cb 0.67 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ner h ALA 27 CO 0.05 -0.53 0.04 1.37 0.00 0.00 0.00 179.25 180.18 1ner h LEU 28 N -0.98 0.32 0.22 0.00 -0.00 -1.57 0.30 115.31 113.60 1ner h LEU 28 Ca -0.05 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1ner h LEU 28 Cb 0.38 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1ner h LEU 28 CO 0.08 0.35 -0.10 0.77 -0.00 0.00 0.00 178.44 179.53 1ner h SER 29 N 0.35 -0.25 0.40 0.17 4.64 -1.07 -2.76 113.55 115.03 1ner h SER 29 Ca 0.08 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 1ner h SER 29 Cb 0.17 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1ner h SER 29 CO -0.00 0.04 -0.60 -0.09 -0.87 0.00 0.00 176.83 175.31 1ner h ARG 30 N -0.55 0.20 0.00 4.77 2.43 -1.12 -1.83 114.38 118.28 1ner h ARG 30 Ca -0.03 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1ner h ARG 30 Cb 0.41 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1ner h ARG 30 CO 0.05 0.74 -0.25 1.96 -1.51 0.00 0.00 179.97 180.96 1ner h GLN 31 N 0.15 0.00 0.00 0.20 4.20 -0.37 -3.02 115.11 116.27 1ner h GLN 31 Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1ner h GLN 31 Cb 1.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1ner h GLN 31 CO 0.09 0.25 -2.08 1.19 -0.67 0.00 0.00 178.83 177.61 1ner n PHE 32 N -3.88 0.04 0.00 2.96 3.01 -1.05 -5.02 117.46 113.52 1ner n PHE 32 Ca -0.02 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ner n PHE 32 Cb 0.33 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1ner n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ner n GLY 33 N 1.40 3.58 3.66 1.37 0.00 -0.71 -5.08 105.19 109.41 1ner n GLY 33 Ca -0.12 -0.84 -0.57 0.00 0.00 0.00 0.00 46.02 44.49 1ner n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ner n TYR 34 N 0.00 1.78 -0.78 1.61 4.01 -1.06 -4.72 117.16 117.99 1ner n TYR 34 Ca 0.00 0.65 -0.33 0.00 -0.16 0.00 0.00 57.90 58.06 1ner n TYR 34 Cb 0.00 -2.38 0.13 0.00 -0.31 0.00 0.00 39.34 36.78 1ner n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ner n ALA 35 N 4.14 -3.18 0.14 -0.72 0.00 -1.26 -3.58 120.51 116.05 1ner n ALA 35 Ca 0.24 -0.78 0.09 0.00 0.00 0.00 0.00 53.44 52.99 1ner n ALA 35 Cb 0.13 -1.68 0.59 0.00 0.00 0.00 0.00 19.45 18.49 1ner n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ner h PRO 36 N -1.64 0.15 -0.38 0.00 0.13 -1.89 -1.91 132.00 126.46 1ner h PRO 36 Ca -0.46 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1ner h PRO 36 Cb 1.30 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1ner h PRO 36 CO 0.34 0.10 -0.07 1.79 -0.23 0.00 0.00 178.00 179.93 1ner h THR 37 N 0.15 1.23 0.49 1.56 1.35 -1.96 -2.97 112.91 112.76 1ner h THR 37 Ca 0.09 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.94 1ner h THR 37 Cb 0.19 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1ner h THR 37 CO -0.01 0.34 -0.41 0.74 -0.25 0.00 0.00 175.52 175.93 1ner h THR 38 N 0.59 0.00 -0.64 6.82 2.02 -1.65 0.37 112.91 120.41 1ner h THR 38 Ca 0.11 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.42 1ner h THR 38 Cb 0.47 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.78 1ner h THR 38 CO 0.02 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 175.94 1ner h LEU 39 N -0.87 -0.09 0.23 2.58 -0.00 -1.64 0.42 115.31 115.94 1ner h LEU 39 Ca -0.06 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1ner h LEU 39 Cb 0.74 0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1ner h LEU 39 CO -0.01 -0.05 -0.23 0.00 -0.00 0.00 0.00 178.44 178.16 1ner h ALA 40 N 1.55 -0.94 0.00 1.53 0.00 -1.30 -0.31 119.26 119.79 1ner h ALA 40 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ner h ALA 40 Cb 0.56 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ner h ALA 40 CO -0.48 -0.95 0.06 0.09 0.00 0.00 0.00 179.25 177.97 1ner n ASN 41 N -3.72 0.00 0.00 0.00 3.02 0.09 -1.35 115.26 113.30 1ner n ASN 41 Ca -0.05 0.32 0.09 0.00 -0.03 0.00 0.00 54.58 54.91 1ner n ASN 41 Cb 0.21 -0.32 0.55 0.00 -0.61 0.00 0.00 39.78 39.62 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ner n ALA 42 N -1.30 2.18 0.05 5.41 0.00 0.10 0.10 120.51 127.05 1ner n ALA 42 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1ner n ALA 42 Cb 0.06 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 1ner n ALA 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ner h LEU 43 N 0.00 0.37 0.00 0.00 3.38 -1.34 -3.40 115.31 114.32 1ner h LEU 43 Ca 0.00 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1ner h LEU 43 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ner h LEU 43 CO 0.00 1.47 -1.27 -0.62 0.09 0.00 0.00 178.44 178.11 1ner n GLU 44 N -3.43 0.44 -2.46 1.13 1.02 -1.08 -4.98 120.64 111.29 1ner n GLU 44 Ca -0.18 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 1ner n GLU 44 Cb 1.05 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 31.30 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ner s ARG 45 N -2.37 4.38 -0.63 3.49 6.06 0.11 -4.90 118.95 125.10 1ner s ARG 45 Ca -0.02 1.69 -0.26 0.00 -2.50 0.00 0.00 55.73 54.64 1ner s ARG 45 Cb 0.03 -3.49 -0.11 0.00 0.06 0.00 0.00 34.95 31.45 1ner s ARG 45 CO 0.23 -0.37 2.42 1.58 -2.50 0.00 0.00 175.30 176.66 1ner n HIS 46 N 4.77 1.29 -2.72 5.12 -0.00 -1.26 -4.67 115.22 117.75 1ner n HIS 46 Ca 0.10 0.06 -0.06 0.00 -0.00 0.00 0.00 57.72 57.82 1ner n HIS 46 Cb 0.46 -2.60 0.05 0.00 -0.00 0.00 0.00 29.99 27.90 1ner n HIS 46 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.34 178.21 1ner n TRP 47 N 16.96 -2.51 0.16 1.57 -0.00 -1.26 -5.00 117.44 127.35 1ner n TRP 47 Ca 0.42 -1.36 0.10 0.00 -0.00 0.00 0.00 57.50 56.66 1ner n TRP 47 Cb 0.49 1.40 0.51 0.00 -0.00 0.00 0.00 31.31 33.71 1ner n TRP 47 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1ner n PRO 48 N 1.83 0.12 0.22 5.87 -0.02 -1.26 -1.24 135.00 140.52 1ner n PRO 48 Ca 0.08 0.62 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 1ner n PRO 48 Cb 0.64 -1.98 0.49 0.00 -0.02 0.00 0.00 33.50 32.63 1ner n PRO 48 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ner h LYS 49 N 0.00 0.00 0.00 -0.52 3.11 -1.97 -1.75 116.57 115.44 1ner h LYS 49 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1ner h LYS 49 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1ner h LYS 49 CO 0.00 0.23 -0.32 0.78 -2.81 0.00 0.00 179.45 177.33 1ner h GLY 50 N 1.88 0.00 1.41 5.01 0.00 -1.55 -2.72 103.07 107.11 1ner h GLY 50 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ner h GLY 50 CO 0.03 0.00 -0.58 0.83 0.00 0.00 0.00 176.54 176.82 1ner h GLU 51 N 0.00 0.61 -0.84 4.80 4.39 -1.45 -3.03 114.58 119.06 1ner h GLU 51 Ca -0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1ner h GLU 51 Cb 0.85 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 1ner h GLU 51 CO 0.04 1.02 0.54 1.96 -1.16 0.00 0.00 179.01 181.40 1ner h GLN 52 N 0.46 1.12 0.02 2.33 7.50 -1.36 -0.58 115.11 124.60 1ner h GLN 52 Ca 0.00 -0.08 0.02 0.00 0.50 0.00 0.00 58.65 59.09 1ner h GLN 52 Cb 1.14 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 28.40 1ner h GLN 52 CO 0.11 0.76 -0.13 0.82 -1.50 0.00 0.00 178.83 178.90 1ner h ILE 53 N 1.15 0.69 0.36 2.54 2.04 -1.45 0.45 117.51 123.29 1ner h ILE 53 Ca 0.31 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 1ner h ILE 53 Cb -0.09 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1ner h ILE 53 CO -0.06 0.00 -0.17 0.40 0.00 0.00 0.00 178.15 178.32 1ner h ILE 54 N -0.22 0.64 -0.86 -0.67 2.04 -1.43 -2.89 117.51 114.12 1ner h ILE 54 Ca 0.04 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1ner h ILE 54 Cb 0.27 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1ner h ILE 54 CO -0.11 0.08 0.57 0.00 0.00 0.00 0.00 178.15 178.69 1ner h ALA 55 N -0.19 1.46 -0.59 1.87 0.00 -1.05 -0.60 119.26 120.17 1ner h ALA 55 Ca -0.05 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1ner h ALA 55 Cb 0.50 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ner h ALA 55 CO 0.08 0.45 0.40 -0.91 0.00 0.00 0.00 179.25 179.27 1ner h ASN 56 N 1.07 0.32 -0.50 0.00 -0.26 0.00 -0.17 115.58 116.04 1ner h ASN 56 Ca 0.34 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.07 1ner h ASN 56 Cb 0.03 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 1ner h ASN 56 CO -0.10 0.19 0.26 0.00 -1.06 0.00 0.00 177.43 176.71 1ner h ALA 57 N 1.70 1.44 -0.33 -0.83 0.00 -0.89 -0.26 119.26 120.10 1ner h ALA 57 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ner h ALA 57 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ner h ALA 57 CO -0.07 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1ner n LEU 58 N -4.37 1.88 -0.57 0.00 4.77 -0.10 -4.86 117.00 113.75 1ner n LEU 58 Ca 0.05 -0.94 -0.07 0.00 -0.03 0.00 0.00 56.01 55.01 1ner n LEU 58 Cb 0.13 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1ner n LEU 58 CO 0.37 0.44 -0.07 1.21 -1.33 0.00 0.00 177.39 178.02 1ner n GLU 59 N 0.46 -1.80 -1.36 3.23 4.07 -0.11 -4.93 120.64 120.21 1ner n GLU 59 Ca 0.11 0.73 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 1ner n GLU 59 Cb 0.31 -5.11 0.00 0.00 -0.06 0.00 0.00 31.44 26.58 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1ner n THR 60 N -2.04 0.00 -4.08 6.31 5.66 -1.11 -5.00 114.28 114.01 1ner n THR 60 Ca -0.07 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.62 1ner n THR 60 Cb 0.54 -0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 68.79 1ner n THR 60 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ner s LYS 61 N -1.53 2.79 0.35 1.09 3.01 -1.26 -4.15 119.74 120.04 1ner s LYS 61 Ca 0.00 -0.72 0.24 0.00 -1.01 0.00 0.00 55.97 54.48 1ner s LYS 61 Cb 0.00 -2.68 1.28 0.00 -1.01 0.00 0.00 37.83 35.43 1ner s LYS 61 CO 0.00 0.56 1.75 -1.00 0.51 0.00 0.00 175.35 177.17 1ner h PRO 62 N 3.42 0.00 0.00 -1.68 0.13 -1.89 -0.85 132.00 131.12 1ner h PRO 62 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ner h PRO 62 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ner h PRO 62 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 1ner n GLU 63 N -2.35 0.12 -0.02 0.86 1.02 -1.26 -1.57 120.64 117.42 1ner n GLU 63 Ca -0.01 0.44 -0.12 0.00 -0.02 0.00 0.00 57.16 57.44 1ner n GLU 63 Cb 0.07 -1.76 -0.14 0.00 -0.02 0.00 0.00 31.44 29.59 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ner n VAL 64 N -1.98 1.63 0.07 2.62 0.31 -0.32 -3.54 118.33 117.11 1ner n VAL 64 Ca 0.01 -0.76 0.02 0.00 -0.01 0.00 0.00 64.34 63.61 1ner n VAL 64 Cb 0.15 -1.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 1ner n VAL 64 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ner h ILE 65 N 0.02 0.48 -2.09 2.52 2.04 -1.63 -3.40 117.51 115.45 1ner h ILE 65 Ca -0.35 -1.86 -0.57 0.00 1.00 0.00 0.00 64.86 63.07 1ner h ILE 65 Cb 2.04 2.02 -0.40 0.00 -0.74 0.00 0.00 36.82 39.74 1ner h ILE 65 CO 0.07 0.27 -0.89 0.79 0.00 0.00 0.00 178.15 178.40 1ner n TRP 66 N -2.93 1.44 0.67 1.37 8.01 -0.61 -3.18 117.44 122.21 1ner n TRP 66 Ca -0.06 -3.83 0.11 0.00 -1.31 0.00 0.00 57.50 52.41 1ner n TRP 66 Cb 0.77 -0.44 0.46 0.00 -2.01 0.00 0.00 31.31 30.08 1ner n TRP 66 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1ner n PRO 67 N 1.07 0.07 0.00 -0.99 -0.04 -1.23 -4.38 135.00 129.50 1ner n PRO 67 Ca 0.25 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1ner n PRO 67 Cb 0.48 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1ner n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ner n SER 68 N -1.73 0.00 -2.48 3.54 3.41 -1.26 -2.87 113.62 112.22 1ner n SER 68 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 1ner n SER 68 Cb 0.27 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1ner n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ner n ARG 69 N 0.00 2.68 -4.24 4.33 1.74 -1.26 -4.95 116.66 114.96 1ner n ARG 69 Ca 0.00 -3.29 -0.35 0.00 -0.77 0.00 0.00 57.85 53.45 1ner n ARG 69 Cb 0.00 -2.26 -0.10 0.00 -1.02 0.00 0.00 32.46 29.08 1ner n ARG 69 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ner s TYR 70 N -3.81 3.18 0.00 -1.55 1.51 -1.14 -4.96 117.35 110.58 1ner s TYR 70 Ca 0.60 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 1ner s TYR 70 Cb 0.48 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1ner s TYR 70 CO -0.13 0.26 0.00 0.94 -1.11 0.00 0.00 175.55 175.51 1ner n GLN 71 N 2.92 0.00 0.00 -0.62 7.27 -1.26 -4.95 117.38 120.74 1ner n GLN 71 Ca -0.18 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.04 1ner n GLN 71 Cb 0.53 0.00 0.72 0.00 2.41 0.00 0.00 30.24 33.90 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ner n ALA 72 N -3.00 2.67 -1.00 1.69 0.00 -1.26 -4.79 120.51 114.81 1ner n ALA 72 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ner n ALA 72 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1ner n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ner n GLY 73 N 1.13 0.89 0.62 0.00 0.00 -1.26 -5.34 105.19 101.23 1ner n GLY 73 Ca 0.20 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.99 1ner n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11