#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 1.09 -4.61 0.00 2.88 -1.26 -4.91 113.62 106.81 1ner n SER 2 Ca 0.00 -1.09 -0.30 0.00 -1.33 0.00 0.00 58.87 56.16 1ner n SER 2 Cb 0.00 0.05 0.19 0.00 -0.75 0.00 0.00 64.21 63.70 1ner n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ner s ASN 3 N -2.29 2.28 0.00 -3.46 0.02 -1.26 -5.00 114.94 105.23 1ner s ASN 3 Ca 0.31 1.75 0.00 0.00 -1.02 0.00 0.00 52.86 53.90 1ner s ASN 3 Cb 0.20 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 39.10 1ner s ASN 3 CO 0.44 -3.43 0.00 1.21 0.02 0.00 0.00 177.10 175.34 1ner n GLU 4 N -4.42 0.00 -1.23 -0.60 2.13 -1.26 -5.14 120.64 110.12 1ner n GLU 4 Ca 0.07 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 1ner n GLU 4 Cb 0.54 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.36 1ner n GLU 4 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ner s LYS 5 N 3.22 1.73 -0.34 5.31 2.47 -1.26 -4.99 119.74 125.88 1ner s LYS 5 Ca 0.00 0.98 0.14 0.00 -1.56 0.00 0.00 55.97 55.53 1ner s LYS 5 Cb 0.00 -1.85 0.43 0.00 -1.46 0.00 0.00 37.83 34.94 1ner s LYS 5 CO 0.00 -1.96 1.37 0.00 0.16 0.00 0.00 175.35 174.92 1ner n ALA 6 N -3.71 2.44 -2.00 3.13 0.00 -1.26 -5.00 120.51 114.11 1ner n ALA 6 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1ner n ALA 6 Cb 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.00 0.00 0.00 0.00 3.00 -1.26 -5.15 116.66 112.25 1ner n ARG 7 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 1ner n ARG 7 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.31 1ner n ARG 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ner n ASP 8 N 0.00 0.00 -4.57 0.55 8.00 -1.26 -4.79 116.55 114.48 1ner n ASP 8 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1ner n ASP 8 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1ner n ASP 8 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ner s TRP 9 N 0.00 1.39 0.78 1.24 0.52 -1.21 -4.92 118.94 116.75 1ner s TRP 9 Ca 0.00 0.95 -0.16 0.00 0.02 0.00 0.00 56.10 56.91 1ner s TRP 9 Cb 0.00 -3.90 -0.06 0.00 -1.15 0.00 0.00 33.47 28.36 1ner s TRP 9 CO 0.00 -2.91 0.15 0.72 0.02 0.00 0.00 176.95 174.93 1ner n HIS 10 N 13.01 -2.10 -0.42 -1.98 8.25 -1.26 -4.36 115.22 126.35 1ner n HIS 10 Ca 0.28 0.27 0.40 0.00 -0.26 0.00 0.00 57.72 58.41 1ner n HIS 10 Cb 0.50 -1.76 0.77 0.00 1.12 0.00 0.00 29.99 30.62 1ner n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ner h ARG 11 N -0.64 0.00 0.00 -0.41 3.08 -1.94 0.87 114.38 115.34 1ner h ARG 11 Ca -0.44 -0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.38 1ner h ARG 11 Cb 1.34 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 1ner h ARG 11 CO 0.37 0.00 -1.27 0.00 -1.07 0.00 0.00 179.97 178.00 1ner h ALA 12 N 1.30 0.58 0.00 0.04 0.00 -1.99 -3.11 119.26 116.08 1ner h ALA 12 Ca 0.66 -1.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1ner h ALA 12 Cb 2.66 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 20.60 1ner h ALA 12 CO -0.01 1.28 -0.08 -0.44 0.00 0.00 0.00 179.25 180.00 1ner h ASP 13 N 0.00 0.00 0.06 0.00 5.19 0.49 0.68 116.42 122.84 1ner h ASP 13 Ca -0.13 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1ner h ASP 13 Cb 1.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.32 1ner h ASP 13 CO 0.10 0.08 -0.03 0.58 -3.12 0.00 0.00 179.24 176.85 1ner h VAL 14 N 0.00 0.29 -0.01 -1.35 2.07 -1.33 -2.69 116.25 113.23 1ner h VAL 14 Ca -0.00 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1ner h VAL 14 Cb 0.52 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1ner h VAL 14 CO 0.01 0.09 -0.05 0.40 0.02 0.00 0.00 177.57 178.04 1ner h ILE 15 N -1.01 1.56 -0.39 4.57 2.04 -1.49 -1.03 117.51 121.76 1ner h ILE 15 Ca -0.01 -1.71 0.05 0.00 1.00 0.00 0.00 64.86 64.19 1ner h ILE 15 Cb 0.22 2.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.94 1ner h ILE 15 CO 0.01 0.45 0.12 0.00 0.00 0.00 0.00 178.15 178.74 1ner h ALA 16 N 0.29 0.45 0.33 1.87 0.00 0.18 0.87 119.26 123.25 1ner h ALA 16 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ner h ALA 16 Cb 0.77 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ner h ALA 16 CO 0.01 -0.27 -0.16 0.78 0.00 0.00 0.00 179.25 179.61 1ner h GLY 17 N 0.27 -0.46 1.02 0.00 0.00 -1.51 -2.39 103.07 100.00 1ner h GLY 17 Ca 0.18 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 1ner h GLY 17 CO -0.20 -0.17 0.09 1.41 0.00 0.00 0.00 176.54 177.67 1ner h LEU 18 N -0.67 0.90 -1.30 3.11 3.38 -1.02 -2.62 115.31 117.09 1ner h LEU 18 Ca -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ner h LEU 18 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ner h LEU 18 CO 0.07 0.94 0.00 0.50 0.09 0.00 0.00 178.44 180.04 1ner h LYS 19 N 0.83 0.00 -0.27 1.13 3.64 0.78 -2.67 116.57 120.02 1ner h LYS 19 Ca 0.17 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1ner h LYS 19 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1ner h LYS 19 CO 0.01 0.00 0.30 0.87 -2.27 0.00 0.00 179.45 178.36 1ner h LYS 20 N 0.00 0.00 0.00 1.90 1.57 -1.02 -3.32 116.57 115.69 1ner h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ner h LYS 20 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1ner h LYS 20 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1ner n ARG 21 N -3.77 0.00 -2.84 3.15 1.74 -1.01 -5.01 116.66 108.92 1ner n ARG 21 Ca 0.04 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 1ner n ARG 21 Cb 0.44 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.93 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 0.94 -4.25 5.56 2.85 -1.25 -5.13 118.16 116.88 1ner n LYS 22 Ca 0.00 -2.21 -0.17 0.00 -1.05 0.00 0.00 58.31 54.87 1ner n LYS 22 Cb 0.00 -1.25 -0.13 0.00 -0.65 0.00 0.00 35.03 33.00 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 -1.89 2.15 -0.17 -5.58 1.43 -1.25 -5.01 118.68 108.36 1ner s LEU 23 Ca 0.28 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1ner s LEU 23 Cb 0.28 -0.42 0.07 0.00 0.03 0.00 0.00 46.19 46.15 1ner s LEU 23 CO -0.10 -0.01 0.39 -0.94 0.23 0.00 0.00 176.35 175.92 1ner s SER 24 N -0.98 -0.33 0.64 2.29 1.04 -1.26 -3.74 113.70 111.35 1ner s SER 24 Ca -0.01 0.89 0.16 0.00 0.48 0.00 0.00 55.95 57.47 1ner s SER 24 Cb -0.07 0.97 0.71 0.00 0.10 0.00 0.00 66.02 67.73 1ner s SER 24 CO 0.01 -0.21 1.35 -0.07 0.98 0.00 0.00 173.24 175.29 1ner h LEU 25 N 7.63 0.00 -0.03 2.42 3.38 -1.98 1.02 115.31 127.75 1ner h LEU 25 Ca -0.27 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.44 1ner h LEU 25 Cb 1.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ner h LEU 25 CO 0.22 0.00 -1.02 0.28 0.09 0.00 0.00 178.44 178.01 1ner h SER 26 N 0.00 0.88 0.05 -0.43 0.02 -1.95 -2.69 113.55 109.42 1ner h SER 26 Ca 0.16 -0.70 -0.14 0.00 -0.84 0.00 0.00 61.79 60.27 1ner h SER 26 Cb 1.93 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 64.22 1ner h SER 26 CO -0.00 1.50 -0.57 0.00 -1.14 0.00 0.00 176.83 176.61 1ner h ALA 27 N 0.45 0.01 0.00 3.77 0.00 0.65 -3.16 119.26 120.98 1ner h ALA 27 Ca -0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1ner h ALA 27 Cb 1.67 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ner h ALA 27 CO 0.20 0.29 -0.09 -0.07 0.00 0.00 0.00 179.25 179.58 1ner h LEU 28 N -0.31 0.00 0.59 0.00 4.07 -1.45 -1.15 115.31 117.06 1ner h LEU 28 Ca -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1ner h LEU 28 Cb 1.35 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.09 1ner h LEU 28 CO 0.11 0.09 -0.28 0.28 -1.08 0.00 0.00 178.44 177.56 1ner h SER 29 N 0.00 -0.67 0.82 -0.43 0.02 -1.49 -3.16 113.55 108.64 1ner h SER 29 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ner h SER 29 Cb 0.18 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1ner h SER 29 CO 0.01 -0.27 0.00 0.08 -1.14 0.00 0.00 176.83 175.51 1ner h ARG 30 N -1.17 0.00 0.00 3.45 0.11 -1.50 -1.44 114.38 113.84 1ner h ARG 30 Ca -0.08 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.96 1ner h ARG 30 Cb 0.63 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.70 1ner h ARG 30 CO 0.13 0.00 -0.21 1.96 0.10 0.00 0.00 179.97 181.95 1ner h GLN 31 N 0.00 0.00 0.00 0.08 4.20 -1.17 -3.19 115.11 115.03 1ner h GLN 31 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1ner h GLN 31 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1ner h GLN 31 CO 0.00 0.21 -1.74 1.19 -0.67 0.00 0.00 178.83 177.82 1ner n PHE 32 N -3.93 0.00 0.00 2.96 3.01 -1.05 -5.04 117.46 113.41 1ner n PHE 32 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1ner n PHE 32 Cb 0.29 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 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 2.26 3.61 3.67 1.37 0.00 -0.57 -5.08 105.19 110.45 1ner n GLY 33 Ca -0.16 -0.93 -0.58 0.00 0.00 0.00 0.00 46.02 44.35 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 1.74 -0.82 1.61 4.01 -1.23 -4.74 117.16 117.72 1ner n TYR 34 Ca 0.00 0.70 -0.33 0.00 -0.16 0.00 0.00 57.90 58.11 1ner n TYR 34 Cb 0.00 -2.36 0.11 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 4.07 -3.17 0.18 -0.72 0.00 -1.26 -4.21 120.51 115.39 1ner n ALA 35 Ca 0.24 -0.66 0.14 0.00 0.00 0.00 0.00 53.44 53.16 1ner n ALA 35 Cb 0.11 -1.67 0.72 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.50 0.00 -0.03 0.00 0.13 -1.89 -2.00 132.00 126.71 1ner h PRO 36 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ner h PRO 36 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ner h PRO 36 CO 0.33 0.00 -0.03 1.79 -0.23 0.00 0.00 178.00 179.85 1ner h THR 37 N 0.00 0.90 0.12 1.56 1.35 -1.97 0.33 112.91 115.20 1ner h THR 37 Ca 0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1ner h THR 37 Cb 0.40 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1ner h THR 37 CO -0.00 0.00 -0.11 0.74 -0.25 0.00 0.00 175.52 175.90 1ner h THR 38 N -0.05 0.00 -0.57 6.82 2.02 -1.67 0.35 112.91 119.81 1ner h THR 38 Ca 0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1ner h THR 38 Cb 0.08 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.40 1ner h THR 38 CO -0.06 0.00 -0.00 0.25 0.37 0.00 0.00 175.52 176.08 1ner h LEU 39 N -0.23 -0.25 0.18 2.58 5.85 -1.53 0.22 115.31 122.13 1ner h LEU 39 Ca -0.02 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ner h LEU 39 Cb 0.19 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1ner h LEU 39 CO -0.01 -0.10 -0.16 0.00 -0.34 0.00 0.00 178.44 177.84 1ner h ALA 40 N 1.52 -0.91 0.00 1.25 0.00 -0.15 -0.67 119.26 120.30 1ner h ALA 40 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ner h ALA 40 Cb 0.46 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ner h ALA 40 CO -0.49 -0.91 0.05 -1.71 0.00 0.00 0.00 179.25 176.19 1ner n ASN 41 N -3.24 0.00 -0.39 0.00 4.05 0.12 -2.22 115.26 113.58 1ner n ASN 41 Ca -0.04 0.31 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1ner n ASN 41 Cb 0.15 -0.31 0.00 0.00 1.23 0.00 0.00 39.78 40.85 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ner n ALA 42 N -1.29 1.96 -0.00 5.20 0.00 0.75 -2.93 120.51 124.20 1ner n ALA 42 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1ner n ALA 42 Cb 0.05 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 1ner n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ner n LEU 43 N 0.05 2.30 0.00 0.00 4.77 -0.94 -4.69 117.00 118.48 1ner n LEU 43 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1ner n LEU 43 Cb 0.12 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1ner n LEU 43 CO 0.00 0.77 0.04 -1.84 -1.33 0.00 0.00 177.39 175.03 1ner n GLU 44 N -3.39 1.09 -1.66 3.23 0.28 -1.20 -5.09 120.64 113.91 1ner n GLU 44 Ca -0.30 -0.08 -0.30 0.00 -0.16 0.00 0.00 57.16 56.33 1ner n GLU 44 Cb 1.05 -0.40 0.19 0.00 1.43 0.00 0.00 31.44 33.71 1ner n GLU 44 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1ner s ARG 45 N -0.18 0.27 -0.82 3.44 3.03 -1.15 -4.97 118.95 118.58 1ner s ARG 45 Ca 0.00 -0.21 -0.19 0.00 2.03 0.00 0.00 55.73 57.36 1ner s ARG 45 Cb 0.00 -1.78 0.12 0.00 -1.03 0.00 0.00 34.95 32.26 1ner s ARG 45 CO 0.00 -2.69 1.00 -1.01 -1.13 0.00 0.00 175.30 171.47 1ner s HIS 46 N -3.57 3.08 -0.43 5.89 3.76 -1.26 -4.81 115.29 117.95 1ner s HIS 46 Ca 0.71 -1.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1ner s HIS 46 Cb -0.07 -4.20 0.24 0.00 1.11 0.00 0.00 32.58 29.66 1ner s HIS 46 CO 0.54 -1.44 1.00 1.87 -0.85 0.00 0.00 174.74 175.86 1ner n TRP 47 N 6.47 -2.24 0.26 1.40 -0.00 -1.26 -5.00 117.44 117.07 1ner n TRP 47 Ca 0.13 -1.25 0.15 0.00 -0.00 0.00 0.00 57.50 56.52 1ner n TRP 47 Cb 0.47 1.36 0.80 0.00 -0.00 0.00 0.00 31.31 33.94 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 3.86 0.00 0.00 5.87 0.11 -1.96 -0.52 132.00 139.36 1ner h PRO 48 Ca -0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.92 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 -0.26 -0.22 -0.21 0.00 0.00 178.00 177.39 1ner h LYS 49 N 0.00 0.00 0.00 1.05 1.63 -2.00 -2.29 116.57 114.96 1ner h LYS 49 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1ner h LYS 49 Cb 0.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1ner h LYS 49 CO 0.00 0.26 -0.24 0.78 -3.45 0.00 0.00 179.45 176.80 1ner h GLY 50 N 2.13 0.00 1.37 5.01 0.00 -1.46 -2.91 103.07 107.21 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 -0.54 0.83 0.00 0.00 0.00 176.54 176.87 1ner h GLU 51 N 0.00 0.66 -0.65 4.80 3.07 -1.51 -2.83 114.58 118.12 1ner h GLU 51 Ca -0.00 -0.41 -0.02 0.00 -0.50 0.00 0.00 59.36 58.43 1ner h GLU 51 Cb 0.95 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 1ner h GLU 51 CO 0.03 1.03 0.34 1.96 -1.40 0.00 0.00 179.01 180.97 1ner h GLN 52 N 0.51 0.90 0.42 2.33 4.20 -1.43 0.66 115.11 122.70 1ner h GLN 52 Ca 0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1ner h GLN 52 Cb 1.10 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1ner h GLN 52 CO 0.11 0.67 -0.40 0.82 -0.67 0.00 0.00 178.83 179.36 1ner h ILE 53 N 0.90 0.18 0.13 2.54 2.04 -1.45 0.44 117.51 122.30 1ner h ILE 53 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 1ner h ILE 53 Cb 0.05 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1ner h ILE 53 CO -0.03 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.45 1ner h ILE 54 N -0.84 0.98 -0.91 -0.67 2.04 -1.46 -2.89 117.51 113.76 1ner h ILE 54 Ca -0.04 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1ner h ILE 54 Cb 0.74 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 1ner h ILE 54 CO -0.05 0.10 0.59 0.00 0.00 0.00 0.00 178.15 178.78 1ner h ALA 55 N 0.47 1.59 -0.57 1.87 0.00 -0.77 0.17 119.26 122.02 1ner h ALA 55 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ner h ALA 55 Cb 0.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ner h ALA 55 CO 0.03 0.23 0.38 -0.97 0.00 0.00 0.00 179.25 178.92 1ner h ASN 56 N 0.93 0.40 -0.18 0.00 -1.24 0.09 -0.20 115.58 115.38 1ner h ASN 56 Ca 0.42 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.42 1ner h ASN 56 Cb 0.36 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1ner h ASN 56 CO -0.18 0.25 0.10 0.00 -1.29 0.00 0.00 177.43 176.31 1ner h ALA 57 N 1.70 1.78 -0.20 1.57 0.00 -0.83 0.51 119.26 123.79 1ner h ALA 57 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ner h ALA 57 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ner h ALA 57 CO -0.07 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1ner n LEU 58 N -4.47 1.75 -1.09 0.00 4.77 -0.11 -4.87 117.00 112.99 1ner n LEU 58 Ca 0.00 -0.76 -0.13 0.00 -0.03 0.00 0.00 56.01 55.10 1ner n LEU 58 Cb 0.11 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1ner n LEU 58 CO 0.35 0.38 -0.12 1.21 -1.33 0.00 0.00 177.39 177.88 1ner n GLU 59 N 0.39 -1.55 -0.12 3.23 2.13 0.17 -4.90 120.64 119.98 1ner n GLU 59 Ca 0.16 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.83 1ner n GLU 59 Cb 0.33 -5.13 0.00 0.00 0.27 0.00 0.00 31.44 26.91 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1ner n THR 60 N -2.01 0.00 -4.21 6.31 5.66 -1.18 -5.03 114.28 113.82 1ner n THR 60 Ca -0.13 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.56 1ner n THR 60 Cb 0.53 -0.42 -0.08 0.00 -1.55 0.00 0.00 70.33 68.80 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 1.55 2.70 0.59 1.09 1.02 -1.26 -4.50 119.74 120.92 1ner s LYS 61 Ca 0.00 -0.70 0.34 0.00 0.02 0.00 0.00 55.97 55.63 1ner s LYS 61 Cb 0.00 -2.62 1.83 0.00 -0.52 0.00 0.00 37.83 36.51 1ner s LYS 61 CO 0.00 0.59 2.20 -1.00 -0.92 0.00 0.00 175.35 176.21 1ner h PRO 62 N 3.92 0.00 0.00 -1.68 0.13 -1.89 -1.50 132.00 130.99 1ner h PRO 62 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ner h PRO 62 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ner h PRO 62 CO 0.59 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1ner n GLU 63 N -3.45 0.04 -0.04 0.86 1.02 -1.26 -2.11 120.64 115.70 1ner n GLU 63 Ca -0.02 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1ner n GLU 63 Cb 0.16 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.35 1.58 0.11 2.62 0.31 -0.56 -3.77 118.33 117.28 1ner n VAL 64 Ca 0.02 -0.77 0.08 0.00 -0.01 0.00 0.00 64.34 63.66 1ner n VAL 64 Cb 0.04 -1.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.01 0.20 -2.13 2.52 5.03 -1.59 -3.40 117.51 118.15 1ner h ILE 65 Ca -0.39 -1.35 -0.57 0.00 -0.12 0.00 0.00 64.86 62.43 1ner h ILE 65 Cb 2.06 1.81 -0.39 0.00 -3.03 0.00 0.00 36.82 37.27 1ner h ILE 65 CO 0.06 0.12 -1.00 0.79 -0.68 0.00 0.00 178.15 177.43 1ner n TRP 66 N -2.87 0.12 0.18 1.37 8.01 -1.09 -3.31 117.44 119.87 1ner n TRP 66 Ca -0.01 -3.61 0.07 0.00 -1.31 0.00 0.00 57.50 52.64 1ner n TRP 66 Cb 0.63 -0.26 0.23 0.00 -2.01 0.00 0.00 31.31 29.90 1ner n TRP 66 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1ner h PRO 67 N 4.40 0.00 0.00 -0.99 0.13 -1.79 -2.96 132.00 130.80 1ner h PRO 67 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ner h PRO 67 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ner h PRO 67 CO 0.50 0.33 -0.30 0.77 -0.23 0.00 0.00 178.00 179.07 1ner h SER 68 N 0.00 0.00 0.04 1.44 0.02 -1.91 -3.23 113.55 109.90 1ner h SER 68 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ner h SER 68 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ner h SER 68 CO 0.04 0.01 -0.89 0.54 -1.14 0.00 0.00 176.83 175.39 1ner n ARG 69 N -2.87 0.16 -3.71 3.45 5.12 -1.22 -4.81 116.66 112.79 1ner n ARG 69 Ca 0.03 -0.13 -0.38 0.00 -1.93 0.00 0.00 57.85 55.44 1ner n ARG 69 Cb 0.52 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 30.20 1ner n ARG 69 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1ner s TYR 70 N -2.93 3.18 0.00 -1.55 1.51 -1.12 -4.88 117.35 111.57 1ner s TYR 70 Ca 0.10 -0.94 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1ner s TYR 70 Cb 0.16 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1ner s TYR 70 CO 0.81 -0.58 0.89 0.00 -1.11 0.00 0.00 175.55 175.57 1ner n GLN 71 N 4.90 0.00 -0.37 -0.62 10.64 -1.26 -4.85 117.38 125.82 1ner n GLN 71 Ca -0.14 -0.83 0.00 0.00 -1.83 0.00 0.00 57.00 54.20 1ner n GLN 71 Cb 0.47 0.32 0.00 0.00 -0.86 0.00 0.00 30.24 30.18 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ner n ALA 72 N 0.03 3.57 0.00 2.61 0.00 -1.26 -4.77 120.51 120.69 1ner n ALA 72 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ner n ALA 72 Cb 0.68 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.30 1.59 0.00 0.00 0.00 -1.26 -5.34 105.19 101.48 1ner n GLY 73 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ner n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50