#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 0.00 -3.72 0.00 2.88 -1.26 -5.07 113.62 106.45 1ner n SER 2 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1ner n SER 2 Cb 0.00 0.09 0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1ner n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ner n ASN 3 N -1.37 -5.23 0.00 -3.46 5.03 -1.26 -4.78 115.26 104.19 1ner n ASN 3 Ca 0.00 -0.90 0.11 0.00 0.87 0.00 0.00 54.58 54.66 1ner n ASN 3 Cb 0.00 -2.42 0.60 0.00 -1.02 0.00 0.00 39.78 36.94 1ner n ASN 3 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1ner n GLU 4 N -3.12 0.50 0.00 3.52 0.28 -1.26 -2.38 120.64 118.17 1ner n GLU 4 Ca -0.21 0.04 0.14 0.00 -0.16 0.00 0.00 57.16 56.98 1ner n GLU 4 Cb 0.63 -1.50 0.56 0.00 1.43 0.00 0.00 31.44 32.56 1ner n GLU 4 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1ner n LYS 5 N -1.15 1.45 0.00 3.44 2.85 -1.26 -5.02 118.16 118.47 1ner n LYS 5 Ca 0.13 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.62 1ner n LYS 5 Cb 0.13 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ner n ALA 6 N -0.09 0.00 0.04 0.58 0.00 -1.00 -3.60 120.51 116.43 1ner n ALA 6 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1ner n ALA 6 Cb 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 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 0.63 -1.36 0.00 5.12 -1.26 -4.96 116.66 114.84 1ner n ARG 7 Ca 0.00 -0.12 -0.29 0.00 -1.93 0.00 0.00 57.85 55.51 1ner n ARG 7 Cb 0.00 -1.59 0.16 0.00 -1.16 0.00 0.00 32.46 29.87 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 -4.69 2.91 -0.32 0.55 1.01 -1.24 -4.83 116.67 110.07 1ner s ASP 8 Ca -0.06 1.01 -0.29 0.00 0.71 0.00 0.00 52.55 53.92 1ner s ASP 8 Cb 0.13 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.45 1ner s ASP 8 CO 0.88 -2.93 1.69 0.26 0.21 0.00 0.00 175.17 175.28 1ner s TRP 9 N -3.14 1.98 0.74 4.23 0.52 -1.19 -4.94 118.94 117.13 1ner s TRP 9 Ca 0.65 0.61 -0.17 0.00 0.02 0.00 0.00 56.10 57.21 1ner s TRP 9 Cb -0.16 -4.13 -0.13 0.00 -1.15 0.00 0.00 33.47 27.90 1ner s TRP 9 CO 0.55 -2.80 -0.29 1.58 0.02 0.00 0.00 176.95 176.02 1ner n HIS 10 N 9.57 -3.49 0.16 -1.98 -0.00 -1.26 -4.29 115.22 113.92 1ner n HIS 10 Ca 0.21 0.25 0.18 0.00 0.46 0.00 0.00 57.72 58.81 1ner n HIS 10 Cb 0.47 -1.62 0.70 0.00 -0.12 0.00 0.00 29.99 29.41 1ner n HIS 10 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1ner h ARG 11 N -0.47 0.00 0.00 1.57 2.43 -1.94 0.63 114.38 116.59 1ner h ARG 11 Ca -0.43 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.48 1ner h ARG 11 Cb 1.37 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.88 1ner h ARG 11 CO 0.34 0.00 -1.59 0.00 -1.51 0.00 0.00 179.97 177.22 1ner h ALA 12 N 1.26 0.72 0.00 2.80 0.00 -1.99 -3.15 119.26 118.90 1ner h ALA 12 Ca 0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 54.91 53.69 1ner h ALA 12 Cb 1.17 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1ner h ALA 12 CO -0.00 1.45 -0.23 -0.44 0.00 0.00 0.00 179.25 180.04 1ner h ASP 13 N 0.00 0.00 0.07 0.00 3.32 0.00 0.77 116.42 120.58 1ner h ASP 13 Ca -0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1ner h ASP 13 Cb 1.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.47 1ner h ASP 13 CO 0.08 0.23 -0.03 0.58 -1.72 0.00 0.00 179.24 178.37 1ner h VAL 14 N 0.00 0.69 -0.02 -1.35 2.07 -1.40 -2.87 116.25 113.37 1ner h VAL 14 Ca -0.00 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1ner h VAL 14 Cb 0.61 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1ner h VAL 14 CO 0.03 0.22 -0.20 0.40 0.02 0.00 0.00 177.57 178.04 1ner h ILE 15 N -0.98 1.51 -0.73 4.57 2.04 -1.50 -1.76 117.51 120.67 1ner h ILE 15 Ca -0.01 -1.78 0.08 0.00 1.00 0.00 0.00 64.86 64.15 1ner h ILE 15 Cb 0.43 2.60 -0.07 0.00 -0.74 0.00 0.00 36.82 39.04 1ner h ILE 15 CO 0.02 0.49 0.39 0.00 0.00 0.00 0.00 178.15 179.04 1ner h ALA 16 N 0.33 1.01 0.11 1.87 0.00 0.38 0.90 119.26 123.85 1ner h ALA 16 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ner h ALA 16 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ner h ALA 16 CO 0.04 0.02 -0.05 0.78 0.00 0.00 0.00 179.25 180.04 1ner h GLY 17 N 0.68 -0.15 1.12 0.00 0.00 -1.54 -2.47 103.07 100.71 1ner h GLY 17 Ca 0.35 0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.61 1ner h GLY 17 CO -0.24 -0.06 -0.17 1.41 0.00 0.00 0.00 176.54 177.49 1ner h LEU 18 N -0.51 1.03 -1.54 3.11 3.38 -1.02 -2.65 115.31 117.11 1ner h LEU 18 Ca -0.02 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1ner h LEU 18 Cb 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ner h LEU 18 CO 0.02 1.17 0.00 0.50 0.09 0.00 0.00 178.44 180.22 1ner h LYS 19 N 0.88 0.00 -0.64 1.13 3.64 0.83 -2.66 116.57 119.76 1ner h LYS 19 Ca 0.12 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.67 1ner h LYS 19 Cb 0.74 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1ner h LYS 19 CO 0.06 0.00 0.45 0.87 -2.27 0.00 0.00 179.45 178.56 1ner h LYS 20 N 0.00 0.11 0.00 1.90 1.79 -1.05 -3.33 116.57 115.98 1ner h LYS 20 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ner h LYS 20 Cb 0.15 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1ner h LYS 20 CO 0.00 0.07 0.00 0.54 -1.08 0.00 0.00 179.45 178.98 1ner n ARG 21 N -4.39 0.00 -2.85 3.15 3.00 -1.00 -5.00 116.66 109.56 1ner n ARG 21 Ca 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.84 1ner n ARG 21 Cb 0.63 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.13 1ner n ARG 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ner n LYS 22 N 0.00 0.90 -4.23 5.56 5.02 -1.25 -5.13 118.16 119.02 1ner n LYS 22 Ca 0.00 -2.22 -0.18 0.00 -2.02 0.00 0.00 58.31 53.90 1ner n LYS 22 Cb 0.00 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ner s LEU 23 N -1.64 2.20 -0.17 -0.35 1.43 -1.23 -5.00 118.68 113.91 1ner s LEU 23 Ca 0.29 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1ner s LEU 23 Cb 0.26 -0.46 0.07 0.00 0.03 0.00 0.00 46.19 46.10 1ner s LEU 23 CO -0.13 -0.04 0.39 -0.94 0.23 0.00 0.00 176.35 175.86 1ner s SER 24 N -1.30 -0.27 0.63 2.29 1.04 -1.26 -3.71 113.70 111.12 1ner s SER 24 Ca -0.02 0.88 0.19 0.00 0.48 0.00 0.00 55.95 57.48 1ner s SER 24 Cb -0.08 1.00 0.79 0.00 0.10 0.00 0.00 66.02 67.82 1ner s SER 24 CO 0.01 -0.22 1.37 -0.07 0.98 0.00 0.00 173.24 175.31 1ner h LEU 25 N 7.75 0.00 0.10 2.42 3.38 -1.98 1.09 115.31 128.07 1ner h LEU 25 Ca -0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 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 0.20 0.00 -0.73 0.77 0.09 0.00 0.00 178.44 178.77 1ner h SER 26 N 0.00 0.47 -0.40 -0.43 4.64 -1.94 -2.80 113.55 113.09 1ner h SER 26 Ca 0.22 -0.91 -0.07 0.00 -0.47 0.00 0.00 61.79 60.57 1ner h SER 26 Cb 2.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 64.00 1ner h SER 26 CO -0.00 1.33 -0.01 0.00 -0.87 0.00 0.00 176.83 177.27 1ner h ALA 27 N 0.14 0.53 0.00 5.18 0.00 0.78 -2.19 119.26 123.71 1ner h ALA 27 Ca -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ner h ALA 27 Cb 1.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ner h ALA 27 CO 0.14 0.33 -0.02 -0.07 0.00 0.00 0.00 179.25 179.62 1ner h LEU 28 N 0.53 0.00 -0.47 0.00 4.07 -1.25 -1.23 115.31 116.96 1ner h LEU 28 Ca 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 1ner h LEU 28 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1ner h LEU 28 CO 0.02 0.02 0.05 0.77 -1.08 0.00 0.00 178.44 178.22 1ner h SER 29 N 0.00 0.78 0.81 -0.43 4.64 -1.11 -2.46 113.55 115.77 1ner h SER 29 Ca -0.00 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1ner h SER 29 Cb 0.05 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1ner h SER 29 CO 0.00 0.86 -0.28 0.03 -0.87 0.00 0.00 176.83 176.57 1ner h ARG 30 N 0.66 0.00 -0.42 4.77 3.08 -1.05 0.91 114.38 122.34 1ner h ARG 30 Ca 0.14 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ner h ARG 30 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1ner h ARG 30 CO 0.02 0.28 0.08 1.96 -1.07 0.00 0.00 179.97 181.24 1ner h GLN 31 N 0.00 0.69 0.00 0.04 4.20 -0.90 -3.25 115.11 115.90 1ner h GLN 31 Ca -0.00 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1ner h GLN 31 Cb 0.77 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1ner h GLN 31 CO 0.04 0.72 -1.95 1.19 -0.67 0.00 0.00 178.83 178.16 1ner n PHE 32 N -4.51 0.00 -2.56 2.96 3.01 -1.12 -5.01 117.46 110.23 1ner n PHE 32 Ca -0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1ner n PHE 32 Cb 0.23 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.22 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 1.37 0.44 1.43 1.37 0.00 0.32 -4.93 105.19 105.19 1ner n GLY 33 Ca -0.05 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.41 1.28 0.00 1.61 4.01 -1.16 -5.02 117.16 114.46 1ner n TYR 34 Ca -0.02 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 1ner n TYR 34 Cb 0.53 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.06 -0.69 0.29 -0.72 0.00 -1.26 -3.68 120.51 115.51 1ner n ALA 35 Ca 0.23 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.82 1ner n ALA 35 Cb 0.78 -0.49 0.85 0.00 0.00 0.00 0.00 19.45 20.59 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 0.00 0.00 -0.19 0.00 0.13 -1.90 -2.48 132.00 127.56 1ner h PRO 36 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1ner h PRO 36 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ner h PRO 36 CO 0.00 0.06 -0.63 1.79 -0.23 0.00 0.00 178.00 179.00 1ner h THR 37 N 0.00 1.31 0.11 1.56 1.35 -1.95 -2.58 112.91 112.71 1ner h THR 37 Ca -0.00 -1.87 -0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1ner h THR 37 Cb 0.22 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1ner h THR 37 CO 0.01 0.59 -0.10 0.74 -0.25 0.00 0.00 175.52 176.51 1ner h THR 38 N 0.49 0.00 -0.64 6.82 2.02 -1.51 0.40 112.91 120.49 1ner h THR 38 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 1ner h THR 38 Cb 1.21 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 1ner h THR 38 CO 0.12 0.00 0.02 0.25 0.37 0.00 0.00 175.52 176.29 1ner h LEU 39 N -0.20 -0.24 0.00 2.58 7.12 -1.67 0.64 115.31 123.53 1ner h LEU 39 Ca -0.01 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1ner h LEU 39 Cb 0.17 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1ner h LEU 39 CO -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 178.44 178.20 1ner n ALA 40 N -2.79 -0.34 0.08 1.25 0.00 -0.97 -1.79 120.51 115.94 1ner n ALA 40 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1ner n ALA 40 Cb 0.38 0.11 0.27 0.00 0.00 0.00 0.00 19.45 20.20 1ner n ALA 40 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ner n ASN 41 N -2.05 0.26 -0.16 0.00 2.85 0.14 -1.69 115.26 114.61 1ner n ASN 41 Ca 0.00 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 1ner n ASN 41 Cb 0.00 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.40 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ner n ALA 42 N -1.60 2.08 0.08 5.20 0.00 0.22 -1.56 120.51 124.93 1ner n ALA 42 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1ner n ALA 42 Cb 0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.36 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 0.12 0.57 -0.87 0.00 3.38 -1.44 -3.41 115.31 113.67 1ner h LEU 43 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1ner h LEU 43 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ner h LEU 43 CO 0.00 1.66 0.00 -1.84 0.09 0.00 0.00 178.44 178.35 1ner n GLU 44 N -3.56 0.20 -2.50 1.13 -0.00 -1.14 -5.08 120.64 109.68 1ner n GLU 44 Ca -0.21 -0.43 -0.33 0.00 -0.00 0.00 0.00 57.16 56.19 1ner n GLU 44 Cb 1.07 -0.67 -0.04 0.00 -0.00 0.00 0.00 31.44 31.81 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1ner s ARG 45 N -0.13 3.86 -1.06 3.44 3.52 -0.60 -4.89 118.95 123.08 1ner s ARG 45 Ca 0.00 1.18 -0.23 0.00 -0.13 0.00 0.00 55.73 56.55 1ner s ARG 45 Cb 0.00 -2.12 -0.13 0.00 -1.56 0.00 0.00 34.95 31.15 1ner s ARG 45 CO 0.00 -0.36 1.94 0.72 -0.81 0.00 0.00 175.30 176.79 1ner n HIS 46 N -1.19 2.27 -2.73 5.12 8.25 -1.26 -4.51 115.22 121.17 1ner n HIS 46 Ca 0.08 -1.33 -0.06 0.00 -0.26 0.00 0.00 57.72 56.15 1ner n HIS 46 Cb 0.53 -2.40 0.04 0.00 1.12 0.00 0.00 29.99 29.28 1ner n HIS 46 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1ner n TRP 47 N 13.76 -2.83 0.17 4.41 -0.00 -1.26 -5.00 117.44 126.69 1ner n TRP 47 Ca 0.45 -1.39 0.11 0.00 -0.00 0.00 0.00 57.50 56.67 1ner n TRP 47 Cb 0.45 1.43 0.61 0.00 -0.00 0.00 0.00 31.31 33.81 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 2.05 0.14 0.21 5.87 -0.02 -1.26 -1.51 135.00 140.48 1ner n PRO 48 Ca 0.10 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 1ner n PRO 48 Cb 0.62 -1.98 0.58 0.00 -0.02 0.00 0.00 33.50 32.71 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 -0.02 -0.52 1.63 -1.96 -2.23 116.57 113.47 1ner h LYS 49 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1ner h LYS 49 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1ner h LYS 49 CO 0.00 0.00 -0.72 0.78 -3.45 0.00 0.00 179.45 176.06 1ner h GLY 50 N 2.32 0.15 2.00 5.01 0.00 -1.61 -2.76 103.07 108.19 1ner h GLY 50 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1ner h GLY 50 CO 0.00 0.20 -0.54 0.83 0.00 0.00 0.00 176.54 177.03 1ner h GLU 51 N 0.09 0.00 -0.55 4.80 5.08 -1.57 -2.90 114.58 119.54 1ner h GLU 51 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ner h GLU 51 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1ner h GLU 51 CO 0.10 0.54 0.32 1.96 -1.00 0.00 0.00 179.01 180.94 1ner h GLN 52 N 0.00 0.75 -0.30 2.33 1.08 -1.35 0.15 115.11 117.77 1ner h GLN 52 Ca -0.01 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1ner h GLN 52 Cb 0.99 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.22 1ner h GLN 52 CO 0.07 0.55 0.02 0.82 -0.95 0.00 0.00 178.83 179.34 1ner h ILE 53 N 0.73 0.81 0.10 2.54 2.04 -1.43 0.42 117.51 122.72 1ner h ILE 53 Ca 0.19 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1ner h ILE 53 Cb 0.00 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1ner h ILE 53 CO -0.04 0.02 -0.05 0.40 0.00 0.00 0.00 178.15 178.49 1ner h ILE 54 N 0.12 0.99 -0.62 -0.67 2.04 -1.38 -2.44 117.51 115.55 1ner h ILE 54 Ca 0.14 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1ner h ILE 54 Cb 0.18 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1ner h ILE 54 CO -0.22 0.08 0.41 0.00 0.00 0.00 0.00 178.15 178.42 1ner h ALA 55 N 0.62 1.82 -0.51 1.87 0.00 -0.29 0.53 119.26 123.30 1ner h ALA 55 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ner h ALA 55 Cb 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ner h ALA 55 CO 0.02 0.07 0.34 -0.97 0.00 0.00 0.00 179.25 178.71 1ner h ASN 56 N 0.59 0.48 -0.54 0.00 -0.73 0.31 0.54 115.58 116.23 1ner h ASN 56 Ca 0.27 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 1ner h ASN 56 Cb 0.31 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1ner h ASN 56 CO -0.08 0.33 0.25 0.00 -0.37 0.00 0.00 177.43 177.56 1ner h ALA 57 N 1.71 0.70 -0.25 1.57 0.00 -0.64 -1.73 119.26 120.62 1ner h ALA 57 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ner h ALA 57 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ner h ALA 57 CO -0.05 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1ner n LEU 58 N -4.56 1.77 -1.92 0.00 4.77 -0.70 -4.87 117.00 111.49 1ner n LEU 58 Ca 0.03 -0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 55.05 1ner n LEU 58 Cb 0.13 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1ner n LEU 58 CO 0.38 0.40 -0.17 1.21 -1.33 0.00 0.00 177.39 177.88 1ner n GLU 59 N 0.42 -1.67 -2.61 3.23 2.13 0.07 -4.93 120.64 117.28 1ner n GLU 59 Ca 0.14 0.83 -0.12 0.00 0.66 0.00 0.00 57.16 58.67 1ner n GLU 59 Cb 0.32 -5.28 -0.00 0.00 0.27 0.00 0.00 31.44 26.75 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 -2.78 0.00 -3.98 6.31 5.66 -0.55 -4.99 114.28 113.95 1ner n THR 60 Ca -0.17 -1.01 -0.31 0.00 -3.05 0.00 0.00 64.05 59.51 1ner n THR 60 Cb 0.57 -0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 69.04 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 -3.03 3.18 0.47 1.09 1.02 -1.26 -4.37 119.74 116.84 1ner s LYS 61 Ca 0.14 -0.56 0.13 0.00 0.02 0.00 0.00 55.97 55.70 1ner s LYS 61 Cb -0.01 -2.90 1.10 0.00 -0.52 0.00 0.00 37.83 35.51 1ner s LYS 61 CO 0.09 0.59 2.09 -1.00 -0.92 0.00 0.00 175.35 176.20 1ner h PRO 62 N 3.17 0.24 0.00 -1.68 0.13 -1.93 -0.83 132.00 131.10 1ner h PRO 62 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ner h PRO 62 Cb 1.16 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ner h PRO 62 CO 0.71 0.16 0.00 -0.85 -0.23 0.00 0.00 178.00 177.79 1ner n GLU 63 N -4.50 0.06 -0.02 0.86 0.28 -1.26 -1.71 120.64 114.35 1ner n GLU 63 Ca 0.01 0.20 -0.11 0.00 -0.16 0.00 0.00 57.16 57.10 1ner n GLU 63 Cb 0.14 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.37 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 -1.23 1.64 0.08 3.84 0.31 -0.32 -3.21 118.33 119.45 1ner n VAL 64 Ca 0.02 -0.77 0.06 0.00 -0.01 0.00 0.00 64.34 63.65 1ner n VAL 64 Cb 0.02 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 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 0.24 -2.37 2.52 2.04 -1.47 -3.39 117.51 115.09 1ner h ILE 65 Ca -0.33 -1.46 -0.59 0.00 1.00 0.00 0.00 64.86 63.48 1ner h ILE 65 Cb 2.03 1.79 -0.40 0.00 -0.74 0.00 0.00 36.82 39.49 1ner h ILE 65 CO 0.08 0.14 -0.84 0.79 0.00 0.00 0.00 178.15 178.32 1ner n TRP 66 N -2.82 1.16 0.10 1.37 8.01 -0.86 -3.19 117.44 121.22 1ner n TRP 66 Ca -0.04 -3.79 -0.05 0.00 -1.31 0.00 0.00 57.50 52.32 1ner n TRP 66 Cb 0.67 -0.29 -0.02 0.00 -2.01 0.00 0.00 31.31 29.66 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 4.78 -0.30 0.00 -0.99 0.13 -1.76 -3.28 132.00 130.59 1ner h PRO 67 Ca 0.17 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ner h PRO 67 Cb 0.81 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ner h PRO 67 CO 0.58 -0.20 0.00 -1.13 -0.23 0.00 0.00 178.00 177.02 1ner n SER 68 N -4.19 0.00 -0.29 1.44 3.41 -1.26 -0.26 113.62 112.47 1ner n SER 68 Ca -0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.65 1ner n SER 68 Cb 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.62 1.73 -4.01 4.33 5.12 -1.23 -4.88 116.66 117.09 1ner n ARG 69 Ca 0.00 -0.64 -0.30 0.00 -1.93 0.00 0.00 57.85 54.98 1ner n ARG 69 Cb 0.00 -1.27 -0.16 0.00 -1.16 0.00 0.00 32.46 29.87 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 -2.02 2.17 -0.36 -1.55 2.02 0.64 -4.99 117.35 113.26 1ner s TYR 70 Ca 0.12 -1.24 0.12 0.00 -0.37 0.00 0.00 57.07 55.70 1ner s TYR 70 Cb 0.13 -1.59 0.41 0.00 -0.40 0.00 0.00 41.96 40.51 1ner s TYR 70 CO 0.45 -0.67 1.32 0.00 -1.57 0.00 0.00 175.55 175.08 1ner n GLN 71 N 4.77 1.27 -0.77 -0.62 0.00 -1.26 -4.94 117.38 115.83 1ner n GLN 71 Ca -0.17 -2.03 -0.11 0.00 0.00 0.00 0.00 57.00 54.70 1ner n GLN 71 Cb 0.50 -0.23 0.16 0.00 0.00 0.00 0.00 30.24 30.66 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ner n ALA 72 N -0.74 4.30 -0.86 2.61 0.00 -1.26 -4.95 120.51 119.61 1ner n ALA 72 Ca -0.04 -1.77 -0.06 0.00 0.00 0.00 0.00 53.44 51.57 1ner n ALA 72 Cb 0.85 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.36 -3.29 0.71 0.00 0.00 -1.26 -5.35 105.19 95.64 1ner n GLY 73 Ca 0.35 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1ner n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50