#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ner n SER 2 N 0.00 -2.72 -2.54 0.00 2.88 -1.26 -3.09 113.62 106.89 1ner n SER 2 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1ner n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ner n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ner n ASN 3 N -2.84 6.76 -4.54 -3.46 6.94 -1.26 -4.82 115.26 112.04 1ner n ASN 3 Ca 0.00 -3.36 -0.42 0.00 -0.02 0.00 0.00 54.58 50.77 1ner n ASN 3 Cb 0.00 -1.17 -0.07 0.00 -2.36 0.00 0.00 39.78 36.18 1ner n ASN 3 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1ner s GLU 4 N -2.35 3.48 -1.32 -3.83 2.56 -1.18 -4.30 118.70 111.76 1ner s GLU 4 Ca 0.55 -0.18 -0.13 0.00 0.00 0.00 0.00 54.97 55.22 1ner s GLU 4 Cb 0.39 -3.88 0.12 0.00 2.00 0.00 0.00 34.13 32.76 1ner s GLU 4 CO -0.24 -0.86 0.51 1.17 -0.56 0.00 0.00 175.26 175.27 1ner n LYS 5 N 6.12 -2.71 0.00 4.30 4.81 -1.26 -4.88 118.16 124.54 1ner n LYS 5 Ca -0.02 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1ner n LYS 5 Cb 0.48 -4.97 0.00 0.00 0.02 0.00 0.00 35.03 30.56 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ner n ALA 6 N -3.66 0.00 0.75 3.14 0.00 -1.26 -4.81 120.51 114.66 1ner n ALA 6 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1ner n ALA 6 Cb 0.51 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 0.17 -2.04 0.00 5.12 -1.26 -4.91 116.66 113.74 1ner n ARG 7 Ca 0.00 0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.60 1ner n ARG 7 Cb 0.00 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 29.74 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 -3.60 5.67 -0.08 0.55 1.11 -1.26 -4.37 116.67 114.68 1ner s ASP 8 Ca 0.07 1.91 -0.30 0.00 0.18 0.00 0.00 52.55 54.41 1ner s ASP 8 Cb 0.15 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 1ner s ASP 8 CO 0.76 -1.25 1.60 0.26 1.18 0.00 0.00 175.17 177.73 1ner s TRP 9 N -2.31 2.09 0.45 4.23 0.52 -1.15 -4.82 118.94 117.95 1ner s TRP 9 Ca 0.66 0.32 -0.20 0.00 0.02 0.00 0.00 56.10 56.89 1ner s TRP 9 Cb -0.18 -3.87 -0.15 0.00 -1.15 0.00 0.00 33.47 28.12 1ner s TRP 9 CO 0.35 -3.53 0.06 1.58 0.02 0.00 0.00 176.95 175.43 1ner n HIS 10 N 7.16 -2.22 -0.36 -1.98 -0.00 -1.26 -4.33 115.22 112.23 1ner n HIS 10 Ca 0.17 0.56 0.27 0.00 -0.00 0.00 0.00 57.72 58.72 1ner n HIS 10 Cb 0.43 -1.77 0.55 0.00 -0.00 0.00 0.00 29.99 29.20 1ner n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ner h ARG 11 N 0.23 0.28 0.00 1.57 3.08 -2.01 1.35 114.38 118.89 1ner h ARG 11 Ca -0.39 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.52 1ner h ARG 11 Cb 1.44 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1ner h ARG 11 CO 0.45 0.19 -0.65 0.00 -1.07 0.00 0.00 179.97 178.90 1ner h ALA 12 N 1.64 0.63 0.00 0.04 0.00 -1.99 -3.10 119.26 116.49 1ner h ALA 12 Ca 0.68 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ner h ALA 12 Cb 1.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1ner h ALA 12 CO -0.37 0.73 -0.25 -0.44 0.00 0.00 0.00 179.25 178.92 1ner h ASP 13 N 0.00 0.00 0.15 0.00 3.32 0.15 0.59 116.42 120.63 1ner h ASP 13 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1ner h ASP 13 Cb 1.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1ner h ASP 13 CO 0.07 0.25 -0.07 0.58 -1.72 0.00 0.00 179.24 178.35 1ner h VAL 14 N 0.00 0.34 -0.01 -1.35 2.07 -1.22 -2.83 116.25 113.24 1ner h VAL 14 Ca -0.00 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1ner h VAL 14 Cb 0.59 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ner h VAL 14 CO 0.03 0.10 -0.15 0.40 0.02 0.00 0.00 177.57 177.98 1ner h ILE 15 N -1.02 1.53 -0.24 4.57 2.04 -1.50 -1.16 117.51 121.73 1ner h ILE 15 Ca -0.02 -1.76 0.05 0.00 1.00 0.00 0.00 64.86 64.13 1ner h ILE 15 Cb 0.32 2.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 1ner h ILE 15 CO 0.03 0.48 -0.09 0.00 0.00 0.00 0.00 178.15 178.57 1ner h ALA 16 N 0.31 0.12 0.54 1.87 0.00 -0.00 1.09 119.26 123.18 1ner h ALA 16 Ca -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ner h ALA 16 Cb 0.85 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ner h ALA 16 CO 0.03 -0.50 -0.26 0.78 0.00 0.00 0.00 179.25 179.30 1ner h GLY 17 N -0.05 -0.75 0.69 0.00 0.00 -1.54 -1.78 103.07 99.63 1ner h GLY 17 Ca 0.13 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1ner h GLY 17 CO -0.28 -0.27 -0.19 1.41 0.00 0.00 0.00 176.54 177.21 1ner h LEU 18 N -0.84 -0.45 0.00 3.11 3.38 -0.97 -2.60 115.31 116.95 1ner h LEU 18 Ca -0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ner h LEU 18 Cb 0.60 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ner h LEU 18 CO 0.12 -0.09 0.04 1.17 0.09 0.00 0.00 178.44 179.77 1ner n LYS 19 N -5.19 0.00 0.01 1.13 4.81 0.37 -1.68 118.16 117.61 1ner n LYS 19 Ca -0.10 0.35 0.14 0.00 -0.87 0.00 0.00 58.31 57.82 1ner n LYS 19 Cb 0.28 -1.54 0.58 0.00 0.02 0.00 0.00 35.03 34.38 1ner n LYS 19 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ner h LYS 20 N 0.00 0.21 0.00 1.64 3.64 -0.90 -3.34 116.57 117.82 1ner h LYS 20 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ner h LYS 20 Cb 0.07 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1ner h LYS 20 CO 0.00 0.14 0.00 0.54 -2.27 0.00 0.00 179.45 177.86 1ner n ARG 21 N -4.45 0.00 -2.75 1.90 1.74 -0.67 -4.99 116.66 107.44 1ner n ARG 21 Ca 0.07 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1ner n ARG 21 Cb 0.38 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.91 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 1.12 -4.49 5.56 2.85 -1.25 -5.13 118.16 116.81 1ner n LYS 22 Ca 0.00 -2.21 -0.27 0.00 -1.05 0.00 0.00 58.31 54.78 1ner n LYS 22 Cb 0.00 -0.66 -0.13 0.00 -0.65 0.00 0.00 35.03 33.58 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 -2.84 2.26 -0.19 -5.58 1.43 -1.25 -5.00 118.68 107.51 1ner s LEU 23 Ca 0.24 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1ner s LEU 23 Cb 0.37 -1.08 0.08 0.00 0.03 0.00 0.00 46.19 45.59 1ner s LEU 23 CO -0.06 0.15 0.42 -0.94 0.23 0.00 0.00 176.35 176.15 1ner s SER 24 N -1.70 -0.34 0.59 2.29 1.04 -1.26 -3.44 113.70 110.87 1ner s SER 24 Ca 0.10 0.96 0.31 0.00 0.48 0.00 0.00 55.95 57.80 1ner s SER 24 Cb -0.10 1.13 1.23 0.00 0.10 0.00 0.00 66.02 68.38 1ner s SER 24 CO 0.04 -0.22 1.54 -0.07 0.98 0.00 0.00 173.24 175.51 1ner h LEU 25 N 7.79 0.00 0.09 2.42 3.38 -1.98 0.76 115.31 127.77 1ner h LEU 25 Ca -0.23 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.51 1ner h LEU 25 Cb 1.14 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.91 1ner h LEU 25 CO 0.18 0.00 -0.96 0.28 0.09 0.00 0.00 178.44 178.03 1ner h SER 26 N 0.00 0.69 -0.17 -0.43 0.02 -1.94 -2.75 113.55 108.96 1ner h SER 26 Ca 0.47 -0.84 -0.21 0.00 -0.84 0.00 0.00 61.79 60.38 1ner h SER 26 Cb 2.49 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 64.82 1ner h SER 26 CO -0.00 1.45 -0.72 0.00 -1.14 0.00 0.00 176.83 176.42 1ner h ALA 27 N 0.25 0.32 0.00 3.77 0.00 0.03 -2.91 119.26 120.71 1ner h ALA 27 Ca -0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1ner h ALA 27 Cb 1.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ner h ALA 27 CO 0.18 0.65 -0.09 -0.07 0.00 0.00 0.00 179.25 179.93 1ner h LEU 28 N 0.52 0.00 0.32 0.00 4.07 -1.02 -0.90 115.31 118.30 1ner h LEU 28 Ca -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1ner h LEU 28 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1ner h LEU 28 CO 0.15 0.09 -0.15 -1.28 -1.08 0.00 0.00 178.44 176.16 1ner h SER 29 N 0.00 -0.36 0.81 -0.43 0.87 -1.29 -3.19 113.55 109.96 1ner h SER 29 Ca -0.00 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1ner h SER 29 Cb 0.21 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ner h SER 29 CO 0.01 0.09 -0.05 0.08 -0.53 0.00 0.00 176.83 176.42 1ner h ARG 30 N -0.94 0.00 -0.55 2.24 0.11 -1.42 -0.68 114.38 113.14 1ner h ARG 30 Ca -0.04 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.98 1ner h ARG 30 Cb 0.51 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 1ner h ARG 30 CO 0.07 0.05 0.11 1.96 0.10 0.00 0.00 179.97 182.27 1ner h GLN 31 N 0.00 0.85 0.00 0.08 4.20 -1.16 -3.18 115.11 115.91 1ner h GLN 31 Ca -0.00 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.35 1ner h GLN 31 Cb 0.47 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1ner h GLN 31 CO 0.01 0.78 -2.14 1.19 -0.67 0.00 0.00 178.83 178.00 1ner n PHE 32 N -4.26 0.00 0.00 2.96 3.01 -1.11 -5.02 117.46 113.04 1ner n PHE 32 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1ner n PHE 32 Cb 0.24 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 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 1.57 3.65 3.55 1.37 0.00 -0.28 -5.09 105.19 109.97 1ner n GLY 33 Ca -0.18 -0.93 -0.55 0.00 0.00 0.00 0.00 46.02 44.36 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 1.15 -0.63 1.61 4.01 -1.14 -4.69 117.16 117.46 1ner n TYR 34 Ca 0.00 0.80 -0.31 0.00 -0.16 0.00 0.00 57.90 58.24 1ner n TYR 34 Cb 0.00 -2.23 0.19 0.00 -0.31 0.00 0.00 39.34 36.99 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 2.07 -2.01 0.29 -0.72 0.00 -1.26 -3.74 120.51 115.14 1ner n ALA 35 Ca 0.19 -0.82 0.14 0.00 0.00 0.00 0.00 53.44 52.96 1ner n ALA 35 Cb 0.15 -2.02 0.89 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.11 0.00 -0.31 0.00 0.13 -1.89 -1.58 132.00 126.24 1ner h PRO 36 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1ner h PRO 36 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1ner h PRO 36 CO 0.42 0.00 -0.43 1.79 -0.23 0.00 0.00 178.00 179.55 1ner h THR 37 N 0.00 1.28 0.58 1.56 1.35 -1.95 -3.03 112.91 112.71 1ner h THR 37 Ca -0.00 -1.62 -0.02 0.00 -0.55 0.00 0.00 66.41 64.22 1ner h THR 37 Cb 0.00 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1ner h THR 37 CO 0.00 0.53 -0.43 0.74 -0.25 0.00 0.00 175.52 176.10 1ner h THR 38 N 0.64 0.13 -0.06 6.82 2.02 -1.60 0.29 112.91 121.15 1ner h THR 38 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1ner h THR 38 Cb 1.00 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1ner h THR 38 CO 0.10 0.00 -0.45 -0.07 0.37 0.00 0.00 175.52 175.47 1ner h LEU 39 N -0.99 -1.38 0.03 2.58 -0.00 -1.61 -0.99 115.31 112.95 1ner h LEU 39 Ca -0.07 0.17 0.03 0.00 -0.00 0.00 0.00 57.88 58.01 1ner h LEU 39 Cb 0.83 0.55 -0.04 0.00 -0.00 0.00 0.00 40.66 41.99 1ner h LEU 39 CO 0.02 -0.46 -0.24 0.00 -0.00 0.00 0.00 178.44 177.76 1ner h ALA 40 N -0.06 -0.35 0.00 1.53 0.00 -1.43 0.10 119.26 119.06 1ner h ALA 40 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ner h ALA 40 Cb 0.66 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ner h ALA 40 CO -0.36 -0.75 0.11 0.09 0.00 0.00 0.00 179.25 178.33 1ner n ASN 41 N -5.36 0.02 0.12 0.00 3.02 0.10 -0.71 115.26 112.45 1ner n ASN 41 Ca -0.05 0.40 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 1ner n ASN 41 Cb 0.28 -0.40 0.47 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.40 1.80 0.11 5.41 0.00 0.36 -1.29 120.51 125.48 1ner n ALA 42 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1ner n ALA 42 Cb 0.11 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 0.00 0.00 0.00 3.38 -1.05 -3.41 115.31 114.22 1ner h LEU 43 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1ner h LEU 43 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ner h LEU 43 CO 0.00 0.22 -1.08 -0.62 0.09 0.00 0.00 178.44 177.04 1ner n GLU 44 N -2.87 0.42 -2.53 1.13 -0.58 -1.00 -4.99 120.64 110.23 1ner n GLU 44 Ca -0.02 0.17 -0.36 0.00 -0.42 0.00 0.00 57.16 56.54 1ner n GLU 44 Cb 0.65 -1.24 -0.04 0.00 -0.57 0.00 0.00 31.44 30.24 1ner n GLU 44 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ner s ARG 45 N -2.64 4.06 -0.14 3.49 0.52 -0.41 -4.95 118.95 118.87 1ner s ARG 45 Ca -0.24 1.49 -0.29 0.00 -0.52 0.00 0.00 55.73 56.16 1ner s ARG 45 Cb 0.05 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1ner s ARG 45 CO 0.35 -0.23 1.66 -1.58 0.02 0.00 0.00 175.30 175.52 1ner s HIS 46 N -1.73 2.00 -0.42 -0.53 5.65 -1.26 -4.65 115.29 114.35 1ner s HIS 46 Ca 0.60 0.39 0.02 0.00 0.25 0.00 0.00 55.06 56.32 1ner s HIS 46 Cb -0.21 -3.94 0.25 0.00 -1.18 0.00 0.00 32.58 27.49 1ner s HIS 46 CO 0.26 -3.41 1.02 1.87 -0.65 0.00 0.00 174.74 173.83 1ner n TRP 47 N 8.00 -2.17 0.20 3.88 -0.00 -1.26 -5.00 117.44 121.09 1ner n TRP 47 Ca 0.19 -1.25 0.12 0.00 -0.00 0.00 0.00 57.50 56.55 1ner n TRP 47 Cb 0.44 1.35 0.65 0.00 -0.00 0.00 0.00 31.31 33.75 1ner n TRP 47 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1ner h PRO 48 N 3.78 0.00 0.00 5.87 0.11 -1.91 -0.68 132.00 139.18 1ner h PRO 48 Ca -0.15 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 1ner h PRO 48 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ner h PRO 48 CO 0.08 0.00 -0.48 -0.22 -0.21 0.00 0.00 178.00 177.17 1ner h LYS 49 N 0.00 0.00 0.00 1.05 3.11 -1.99 -2.32 116.57 116.42 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 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1ner h LYS 49 CO 0.00 0.48 -0.31 0.78 -2.81 0.00 0.00 179.45 177.59 1ner h GLY 50 N 2.06 0.00 1.84 5.01 0.00 -1.51 -2.22 103.07 108.25 1ner h GLY 50 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1ner h GLY 50 CO 0.06 0.00 -0.58 0.83 0.00 0.00 0.00 176.54 176.85 1ner h GLU 51 N 0.00 0.17 -0.72 4.80 4.39 -1.52 -2.94 114.58 118.77 1ner h GLU 51 Ca -0.00 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ner h GLU 51 Cb 0.76 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1ner h GLU 51 CO 0.04 0.70 0.40 1.96 -1.16 0.00 0.00 179.01 180.96 1ner h GLN 52 N 0.13 0.99 0.10 2.33 1.08 -1.25 0.22 115.11 118.71 1ner h GLN 52 Ca -0.00 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1ner h GLN 52 Cb 1.06 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.27 1ner h GLN 52 CO 0.09 0.73 -0.20 0.82 -0.95 0.00 0.00 178.83 179.31 1ner h ILE 53 N 0.98 0.54 0.33 2.54 2.04 -1.46 0.37 117.51 122.85 1ner h ILE 53 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.10 1ner h ILE 53 Cb 0.02 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ner h ILE 53 CO -0.04 0.00 -0.16 0.40 0.00 0.00 0.00 178.15 178.35 1ner h ILE 54 N -0.38 0.69 -0.79 -0.67 2.04 -1.43 -2.86 117.51 114.11 1ner h ILE 54 Ca 0.03 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.68 1ner h ILE 54 Cb 0.40 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1ner h ILE 54 CO -0.12 0.06 0.52 0.00 0.00 0.00 0.00 178.15 178.61 1ner h ALA 55 N -0.01 1.81 -0.51 1.87 0.00 -0.43 0.39 119.26 122.39 1ner h ALA 55 Ca -0.05 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ner h ALA 55 Cb 0.44 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ner h ALA 55 CO 0.07 0.01 0.34 -0.97 0.00 0.00 0.00 179.25 178.71 1ner h ASN 56 N 0.68 0.40 -0.58 0.00 -0.73 -0.04 -0.86 115.58 114.45 1ner h ASN 56 Ca 0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.55 1ner h ASN 56 Cb 0.52 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1ner h ASN 56 CO -0.14 0.26 0.38 0.00 -0.37 0.00 0.00 177.43 177.56 1ner h ALA 57 N 1.72 1.57 -0.41 1.57 0.00 -0.79 0.82 119.26 123.74 1ner h ALA 57 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ner h ALA 57 Cb 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ner h ALA 57 CO -0.06 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1ner n LEU 58 N -4.44 2.31 -1.91 0.00 4.77 -0.37 -4.88 117.00 112.48 1ner n LEU 58 Ca 0.06 -1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 54.76 1ner n LEU 58 Cb 0.05 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1ner n LEU 58 CO 0.36 0.55 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.21 1ner n GLU 59 N 0.70 -1.75 -1.54 3.23 1.02 0.28 -4.91 120.64 117.67 1ner n GLU 59 Ca 0.14 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1ner n GLU 59 Cb 0.37 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1ner n THR 60 N -2.63 0.00 -4.07 2.62 5.66 -1.03 -5.01 114.28 109.82 1ner n THR 60 Ca -0.14 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.58 1ner n THR 60 Cb 0.51 -0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.43 2.85 0.63 1.09 3.01 -1.26 -4.31 119.74 120.31 1ner s LYS 61 Ca 0.00 -0.79 0.39 0.00 -1.01 0.00 0.00 55.97 54.56 1ner s LYS 61 Cb 0.00 -2.67 2.17 0.00 -1.01 0.00 0.00 37.83 36.32 1ner s LYS 61 CO 0.00 0.53 2.31 -1.00 0.51 0.00 0.00 175.35 177.70 1ner h PRO 62 N 2.92 0.00 0.00 -1.68 0.13 -1.91 -1.50 132.00 129.96 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ner h PRO 62 CO 0.64 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 1ner n GLU 63 N -3.34 0.03 -0.02 0.86 0.28 -1.26 -0.84 120.64 116.35 1ner n GLU 63 Ca -0.03 0.51 -0.16 0.00 -0.16 0.00 0.00 57.16 57.32 1ner n GLU 63 Cb 0.09 -1.60 -0.14 0.00 1.43 0.00 0.00 31.44 31.22 1ner n GLU 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ner n VAL 64 N -1.67 1.67 0.00 3.84 0.31 -0.56 -3.67 118.33 118.25 1ner n VAL 64 Ca -0.00 -0.71 -0.11 0.00 -0.01 0.00 0.00 64.34 63.51 1ner n VAL 64 Cb 0.02 -1.39 -0.14 0.00 -0.91 0.00 0.00 33.84 31.43 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 0.04 0.95 -2.41 2.52 5.03 -1.49 -3.41 117.51 118.74 1ner h ILE 65 Ca -0.40 -2.75 -0.59 0.00 -0.12 0.00 0.00 64.86 61.00 1ner h ILE 65 Cb 2.03 2.52 -0.41 0.00 -3.03 0.00 0.00 36.82 37.93 1ner h ILE 65 CO 0.07 0.64 -0.76 0.79 -0.68 0.00 0.00 178.15 178.20 1ner n TRP 66 N -3.19 1.90 0.41 1.37 8.01 -0.02 -2.92 117.44 123.00 1ner n TRP 66 Ca -0.17 -3.93 0.12 0.00 -1.31 0.00 0.00 57.50 52.21 1ner n TRP 66 Cb 1.04 -0.39 0.49 0.00 -2.01 0.00 0.00 31.31 30.43 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 1.60 0.20 0.00 -0.99 -0.04 -1.24 -4.00 135.00 130.53 1ner n PRO 67 Ca 0.25 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1ner n PRO 67 Cb 0.43 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.23 0.00 -0.80 3.54 3.41 -1.26 -1.27 113.62 115.01 1ner n SER 68 Ca 0.02 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1ner n SER 68 Cb 0.24 -0.22 0.21 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.08 2.06 -3.72 4.33 1.74 -1.26 -4.83 116.66 112.90 1ner n ARG 69 Ca 0.00 -1.60 -0.37 0.00 -0.77 0.00 0.00 57.85 55.11 1ner n ARG 69 Cb 0.00 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 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 -2.04 3.13 0.00 -1.55 2.02 -0.39 -4.86 117.35 113.65 1ner s TYR 70 Ca 0.30 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1ner s TYR 70 Cb 0.20 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1ner s TYR 70 CO 0.33 -0.42 0.54 0.00 -1.57 0.00 0.00 175.55 174.44 1ner n GLN 71 N 4.94 0.00 -2.79 -0.62 10.64 -1.26 -4.51 117.38 123.78 1ner n GLN 71 Ca -0.15 -0.11 -0.03 0.00 -1.83 0.00 0.00 57.00 54.88 1ner n GLN 71 Cb 0.50 0.06 0.01 0.00 -0.86 0.00 0.00 30.24 29.95 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ner s ALA 72 N 0.00 -2.88 0.61 2.61 0.00 -1.26 -5.13 121.76 115.70 1ner s ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1ner s ALA 72 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1ner s ALA 72 CO 0.00 -2.33 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1ner n GLY 73 N 3.05 -3.95 0.57 0.00 0.00 -1.26 -5.28 105.19 98.33 1ner n GLY 73 Ca 0.15 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.45 1ner n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50