#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 0.79 -0.23 0.00 7.64 -1.26 -5.08 113.62 115.49 1ner n SER 2 Ca 0.00 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1ner n SER 2 Cb 0.00 1.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 1ner n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ner n ASN 3 N -1.67 -2.47 0.00 6.43 5.03 -1.26 -4.62 115.26 116.70 1ner n ASN 3 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1ner n ASN 3 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 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 -0.46 3.75 -2.80 3.52 0.28 -1.26 -4.97 120.64 118.69 1ner n GLU 4 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1ner n GLU 4 Cb 0.00 -0.99 0.01 0.00 1.43 0.00 0.00 31.44 31.90 1ner n GLU 4 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ner s LYS 5 N -1.97 0.51 0.41 3.44 2.47 -1.26 -4.93 119.74 118.40 1ner s LYS 5 Ca 0.00 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 1ner s LYS 5 Cb 0.00 0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 1ner s LYS 5 CO 0.00 -0.66 0.00 0.00 0.16 0.00 0.00 175.35 174.85 1ner n ALA 6 N 3.23 -1.91 0.83 3.13 0.00 -1.26 -4.37 120.51 120.16 1ner n ALA 6 Ca 0.12 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1ner n ALA 6 Cb 0.61 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.83 0.64 0.00 0.00 1.74 -1.26 -4.88 116.66 111.07 1ner n ARG 7 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1ner n ARG 7 Cb 0.21 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1ner n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ner n ASP 8 N -1.52 0.00 -4.59 0.55 8.00 -1.26 -4.84 116.55 112.89 1ner n ASP 8 Ca 0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 1ner n ASP 8 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.74 1.05 1.24 0.52 -1.21 -4.95 118.94 117.33 1ner s TRP 9 Ca 0.00 0.68 -0.21 0.00 0.02 0.00 0.00 56.10 56.59 1ner s TRP 9 Cb 0.00 -4.10 -0.02 0.00 -1.15 0.00 0.00 33.47 28.20 1ner s TRP 9 CO 0.00 -2.88 -0.52 0.72 0.02 0.00 0.00 176.95 174.29 1ner n HIS 10 N 10.87 -1.77 -0.33 -1.98 8.25 -1.26 -4.48 115.22 124.52 1ner n HIS 10 Ca 0.23 0.30 0.10 0.00 -0.26 0.00 0.00 57.72 58.09 1ner n HIS 10 Cb 0.48 -1.52 0.30 0.00 1.12 0.00 0.00 29.99 30.36 1ner n HIS 10 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ner h ARG 11 N -1.57 0.84 0.00 -0.41 2.43 -1.92 -0.31 114.38 113.44 1ner h ARG 11 Ca -0.47 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.59 1ner h ARG 11 Cb 1.36 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1ner h ARG 11 CO 0.31 0.56 -0.52 0.00 -1.51 0.00 0.00 179.97 178.81 1ner h ALA 12 N 1.57 0.76 0.00 2.80 0.00 -1.99 -3.03 119.26 119.37 1ner h ALA 12 Ca 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ner h ALA 12 Cb 0.63 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ner h ALA 12 CO -0.27 0.32 -0.12 -0.44 0.00 0.00 0.00 179.25 178.75 1ner h ASP 13 N 0.00 0.00 0.00 0.00 3.32 -1.33 0.59 116.42 119.00 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 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1ner h ASP 13 CO 0.03 0.12 -0.12 0.58 -1.72 0.00 0.00 179.24 178.12 1ner h VAL 14 N 0.00 0.37 0.15 -1.35 2.07 -1.39 -2.55 116.25 113.54 1ner h VAL 14 Ca -0.00 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1ner h VAL 14 Cb 0.49 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ner h VAL 14 CO 0.02 0.12 -0.07 0.40 0.02 0.00 0.00 177.57 178.06 1ner h ILE 15 N -1.00 0.95 0.36 4.57 1.08 -1.44 -0.74 117.51 121.29 1ner h ILE 15 Ca -0.01 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1ner h ILE 15 Cb 0.30 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 1ner h ILE 15 CO -0.01 0.10 -0.47 0.00 -0.69 0.00 0.00 178.15 177.08 1ner h ALA 16 N 0.43 -0.99 -0.37 1.87 0.00 0.01 0.76 119.26 120.96 1ner h ALA 16 Ca -0.02 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ner h ALA 16 Cb 0.31 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1ner h ALA 16 CO 0.03 -1.11 -0.03 0.78 0.00 0.00 0.00 179.25 178.93 1ner h GLY 17 N -0.87 0.34 0.62 0.00 0.00 -1.45 -1.53 103.07 100.18 1ner h GLY 17 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1ner h GLY 17 CO -0.13 -0.11 -0.15 1.41 0.00 0.00 0.00 176.54 177.57 1ner h LEU 18 N 0.07 -0.35 0.00 3.11 3.38 -0.85 -2.90 115.31 117.77 1ner h LEU 18 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ner h LEU 18 Cb 0.26 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ner h LEU 18 CO -0.33 0.05 0.09 1.17 0.09 0.00 0.00 178.44 179.50 1ner n LYS 19 N -5.11 0.00 0.12 1.13 4.81 0.26 -1.79 118.16 117.58 1ner n LYS 19 Ca -0.09 0.37 0.16 0.00 -0.87 0.00 0.00 58.31 57.88 1ner n LYS 19 Cb 0.27 -1.59 0.72 0.00 0.02 0.00 0.00 35.03 34.45 1ner n LYS 19 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ner h LYS 20 N 0.00 0.00 0.00 1.64 1.57 -1.06 -3.34 116.57 115.38 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 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 -4.23 0.00 -2.83 3.15 1.74 -0.74 -5.00 116.66 108.75 1ner n ARG 21 Ca 0.04 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 1ner n ARG 21 Cb 0.40 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.91 1ner n ARG 21 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ner n LYS 22 N 0.00 1.02 -4.77 5.56 4.81 -1.25 -5.13 118.16 118.40 1ner n LYS 22 Ca 0.00 -2.28 -0.28 0.00 -0.87 0.00 0.00 58.31 54.88 1ner n LYS 22 Cb 0.00 -1.12 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ner s LEU 23 N -2.39 2.18 -0.16 3.14 1.43 -1.26 -5.01 118.68 116.62 1ner s LEU 23 Ca 0.26 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1ner s LEU 23 Cb 0.31 -1.17 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1ner s LEU 23 CO -0.06 0.22 0.39 -0.94 0.23 0.00 0.00 176.35 176.19 1ner s SER 24 N -1.29 -0.47 0.44 2.29 1.04 -1.26 -3.81 113.70 110.64 1ner s SER 24 Ca 0.10 0.83 0.11 0.00 0.48 0.00 0.00 55.95 57.47 1ner s SER 24 Cb -0.10 0.73 0.59 0.00 0.10 0.00 0.00 66.02 67.34 1ner s SER 24 CO 0.02 -0.18 1.22 -0.07 0.98 0.00 0.00 173.24 175.21 1ner h LEU 25 N 6.98 0.00 0.03 2.42 3.38 -1.99 0.44 115.31 126.58 1ner h LEU 25 Ca -0.36 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.41 1ner h LEU 25 Cb 1.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1ner h LEU 25 CO 0.30 0.00 -0.77 0.77 0.09 0.00 0.00 178.44 178.83 1ner h SER 26 N 0.00 0.62 -0.18 -0.43 4.64 -1.94 -2.72 113.55 113.54 1ner h SER 26 Ca 0.00 -0.79 -0.17 0.00 -0.47 0.00 0.00 61.79 60.36 1ner h SER 26 Cb 1.07 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1ner h SER 26 CO 0.00 1.34 -0.54 0.00 -0.87 0.00 0.00 176.83 176.76 1ner h ALA 27 N 0.29 0.31 0.00 5.18 0.00 -0.52 -3.01 119.26 121.51 1ner h ALA 27 Ca -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1ner h ALA 27 Cb 1.49 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ner h ALA 27 CO 0.15 0.52 -0.12 -0.07 0.00 0.00 0.00 179.25 179.73 1ner h LEU 28 N 0.39 0.00 0.47 0.00 4.07 -1.54 -1.45 115.31 117.24 1ner h LEU 28 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1ner h LEU 28 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1ner h LEU 28 CO 0.12 0.12 -0.23 0.77 -1.08 0.00 0.00 178.44 178.14 1ner h SER 29 N 0.00 -0.53 0.79 -0.43 4.64 -1.35 -3.10 113.55 113.57 1ner h SER 29 Ca -0.00 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ner h SER 29 Cb 0.23 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ner h SER 29 CO 0.02 -0.15 -0.01 0.08 -0.87 0.00 0.00 176.83 175.89 1ner h ARG 30 N -0.99 0.00 -0.48 4.77 0.11 -1.46 0.11 114.38 116.43 1ner h ARG 30 Ca -0.06 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 1ner h ARG 30 Cb 0.58 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.65 1ner h ARG 30 CO 0.11 0.01 0.04 1.96 0.10 0.00 0.00 179.97 182.19 1ner h GLN 31 N 0.00 0.82 0.00 0.08 4.20 -1.19 -3.30 115.11 115.72 1ner h GLN 31 Ca -0.00 -0.24 -0.27 0.00 0.06 0.00 0.00 58.65 58.20 1ner h GLN 31 Cb 0.41 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1ner h GLN 31 CO 0.00 0.84 -2.23 1.19 -0.67 0.00 0.00 178.83 177.97 1ner n PHE 32 N -4.39 0.00 0.00 2.96 3.01 -1.14 -5.02 117.46 112.87 1ner n PHE 32 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1ner n PHE 32 Cb 0.28 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 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 1.71 3.38 3.63 1.37 0.00 0.36 -5.08 105.19 110.56 1ner n GLY 33 Ca -0.25 -1.08 -0.56 0.00 0.00 0.00 0.00 46.02 44.13 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 1.60 -0.81 1.61 4.01 -1.21 -4.76 117.16 117.60 1ner n TYR 34 Ca 0.00 0.69 -0.34 0.00 -0.16 0.00 0.00 57.90 58.09 1ner n TYR 34 Cb 0.00 -2.34 0.11 0.00 -0.31 0.00 0.00 39.34 36.81 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 3.43 -3.97 0.09 -0.72 0.00 -1.26 -4.36 120.51 113.71 1ner n ALA 35 Ca 0.22 -0.95 0.03 0.00 0.00 0.00 0.00 53.44 52.74 1ner n ALA 35 Cb 0.14 -1.48 0.41 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.58 0.32 -0.76 0.00 0.13 -1.89 -2.43 132.00 125.78 1ner h PRO 36 Ca -0.46 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 1ner h PRO 36 Cb 1.33 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ner h PRO 36 CO 0.32 0.36 0.27 1.79 -0.23 0.00 0.00 178.00 180.51 1ner h THR 37 N 0.31 1.26 0.49 1.56 1.35 -1.96 -2.55 112.91 113.37 1ner h THR 37 Ca 0.07 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1ner h THR 37 Cb 0.24 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1ner h THR 37 CO 0.01 0.35 -0.39 0.74 -0.25 0.00 0.00 175.52 175.98 1ner h THR 38 N 1.13 0.00 -0.28 6.82 2.02 -1.74 0.37 112.91 121.23 1ner h THR 38 Ca 0.25 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.49 1ner h THR 38 Cb 0.27 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.60 1ner h THR 38 CO -0.01 0.00 -0.37 0.25 0.37 0.00 0.00 175.52 175.76 1ner h LEU 39 N -0.85 -1.19 0.49 2.58 7.12 -1.55 0.38 115.31 122.29 1ner h LEU 39 Ca -0.06 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 1ner h LEU 39 Cb 0.71 0.52 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 1ner h LEU 39 CO 0.00 -0.36 -0.50 0.00 -0.13 0.00 0.00 178.44 177.45 1ner h ALA 40 N 0.46 -1.12 0.00 1.25 0.00 -1.31 0.11 119.26 118.65 1ner h ALA 40 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ner h ALA 40 Cb 0.57 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ner h ALA 40 CO -0.47 -1.17 0.08 -1.71 0.00 0.00 0.00 179.25 175.98 1ner n ASN 41 N -5.56 0.37 0.00 0.00 4.05 0.13 -1.18 115.26 113.07 1ner n ASN 41 Ca -0.12 0.64 0.04 0.00 0.45 0.00 0.00 54.58 55.59 1ner n ASN 41 Cb 0.46 -0.66 0.27 0.00 1.23 0.00 0.00 39.78 41.07 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 -1.65 2.18 0.01 5.20 0.00 0.13 -1.59 120.51 124.80 1ner n ALA 42 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1ner n ALA 42 Cb 0.10 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.26 -3.41 115.31 114.02 1ner h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ner h LEU 43 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ner h LEU 43 CO 0.00 0.99 -0.08 -1.84 0.09 0.00 0.00 178.44 177.60 1ner n GLU 44 N -3.16 3.18 -2.56 1.13 0.28 -1.15 -5.06 120.64 113.31 1ner n GLU 44 Ca -0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.52 1ner n GLU 44 Cb 1.00 -0.31 -0.05 0.00 1.43 0.00 0.00 31.44 33.52 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ner s ARG 45 N -0.53 4.44 -0.93 3.44 6.06 -0.62 -4.89 118.95 125.93 1ner s ARG 45 Ca 0.00 1.60 -0.25 0.00 -2.50 0.00 0.00 55.73 54.58 1ner s ARG 45 Cb 0.00 -2.87 -0.12 0.00 0.06 0.00 0.00 34.95 32.02 1ner s ARG 45 CO 0.00 0.09 2.15 -3.38 -2.50 0.00 0.00 175.30 171.66 1ner s HIS 46 N -1.42 1.47 -0.49 5.12 -3.43 -1.26 -4.63 115.29 110.64 1ner s HIS 46 Ca 0.51 1.42 0.06 0.00 -0.80 0.00 0.00 55.06 56.24 1ner s HIS 46 Cb -0.26 -3.68 0.22 0.00 -1.43 0.00 0.00 32.58 27.43 1ner s HIS 46 CO 0.33 -1.41 0.85 1.87 -2.00 0.00 0.00 174.74 174.38 1ner n TRP 47 N 16.82 -3.37 0.17 0.38 -0.00 -1.26 -4.99 117.44 125.18 1ner n TRP 47 Ca 0.44 -1.56 0.11 0.00 -0.00 0.00 0.00 57.50 56.49 1ner n TRP 47 Cb 0.45 1.52 0.61 0.00 -0.00 0.00 0.00 31.31 33.89 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 4.32 0.00 0.00 5.87 0.11 -1.92 -1.44 132.00 138.93 1ner h PRO 48 Ca -0.08 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1ner h PRO 48 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ner h PRO 48 CO 0.19 0.00 -0.20 -0.22 -0.21 0.00 0.00 178.00 177.56 1ner h LYS 49 N 0.00 0.00 0.00 1.05 1.63 -1.97 -2.56 116.57 114.72 1ner h LYS 49 Ca 0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 1ner h LYS 49 Cb 0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1ner h LYS 49 CO 0.00 0.20 -0.55 0.78 -3.45 0.00 0.00 179.45 176.43 1ner h GLY 50 N 2.36 0.00 1.71 5.01 0.00 -1.61 -2.76 103.07 107.78 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 0.03 0.00 -0.53 0.83 0.00 0.00 0.00 176.54 176.86 1ner h GLU 51 N 0.00 0.30 -0.79 4.80 5.08 -1.59 -2.87 114.58 119.51 1ner h GLU 51 Ca -0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ner h GLU 51 Cb 1.09 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1ner h GLU 51 CO 0.07 0.76 0.49 1.96 -1.00 0.00 0.00 179.01 181.30 1ner h GLN 52 N 0.24 1.07 -0.33 2.33 1.08 -1.37 0.11 115.11 118.23 1ner h GLN 52 Ca 0.01 -0.09 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1ner h GLN 52 Cb 1.02 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 28.17 1ner h GLN 52 CO 0.09 0.74 0.04 0.82 -0.95 0.00 0.00 178.83 179.56 1ner h ILE 53 N 1.08 0.80 0.08 2.54 2.04 -1.44 0.43 117.51 123.04 1ner h ILE 53 Ca 0.29 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 1ner h ILE 53 Cb -0.06 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1ner h ILE 53 CO -0.06 0.03 -0.04 0.40 0.00 0.00 0.00 178.15 178.48 1ner h ILE 54 N 0.14 1.06 -0.37 -0.67 2.04 -1.33 -2.70 117.51 115.68 1ner h ILE 54 Ca 0.16 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1ner h ILE 54 Cb 0.20 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1ner h ILE 54 CO -0.23 0.12 0.25 0.00 0.00 0.00 0.00 178.15 178.29 1ner h ALA 55 N 0.57 1.88 -0.86 1.87 0.00 -0.40 -1.14 119.26 121.18 1ner h ALA 55 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ner h ALA 55 Cb 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1ner h ALA 55 CO 0.02 0.07 0.56 -0.97 0.00 0.00 0.00 179.25 178.93 1ner h ASN 56 N 0.38 0.81 -0.97 0.00 -0.73 0.18 -0.69 115.58 114.55 1ner h ASN 56 Ca 0.15 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1ner h ASN 56 Cb 0.14 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.52 1ner h ASN 56 CO -0.03 0.51 0.62 0.00 -0.37 0.00 0.00 177.43 178.15 1ner h ALA 57 N 1.55 1.25 -0.16 1.57 0.00 -1.12 -0.35 119.26 121.99 1ner h ALA 57 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ner h ALA 57 Cb 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ner h ALA 57 CO -0.15 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1ner n LEU 58 N -4.37 1.56 -1.77 0.00 4.77 -0.59 -4.88 117.00 111.74 1ner n LEU 58 Ca 0.11 -0.66 -0.17 0.00 -0.03 0.00 0.00 56.01 55.26 1ner n LEU 58 Cb 0.04 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1ner n LEU 58 CO 0.38 0.33 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.96 1ner n GLU 59 N 0.26 -1.53 -1.46 3.23 1.02 -0.14 -4.93 120.64 117.08 1ner n GLU 59 Ca 0.16 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 1ner n GLU 59 Cb 0.31 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.61 0.00 -4.12 2.62 5.66 -0.85 -4.99 114.28 109.98 1ner n THR 60 Ca -0.18 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 1ner n THR 60 Cb 0.59 -0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 68.85 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 -1.76 2.79 0.56 1.09 1.02 -1.26 -4.40 119.74 117.79 1ner s LYS 61 Ca 0.00 -0.69 0.28 0.00 0.02 0.00 0.00 55.97 55.58 1ner s LYS 61 Cb 0.00 -2.68 1.65 0.00 -0.52 0.00 0.00 37.83 36.27 1ner s LYS 61 CO 0.00 0.58 2.18 -1.00 -0.92 0.00 0.00 175.35 176.19 1ner h PRO 62 N 3.65 0.00 0.00 -1.68 0.13 -1.92 -1.06 132.00 131.12 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 0.62 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 1ner n GLU 63 N -3.81 0.01 -0.03 0.86 1.02 -1.26 -1.46 120.64 115.97 1ner n GLU 63 Ca -0.03 0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1ner n GLU 63 Cb 0.14 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.45 1.61 0.53 2.62 0.31 -0.40 -3.50 118.33 118.05 1ner n VAL 64 Ca 0.01 -0.77 0.12 0.00 -0.01 0.00 0.00 64.34 63.69 1ner n VAL 64 Cb 0.03 -1.12 0.19 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.00 -2.02 2.52 2.04 -1.38 -3.39 117.51 115.29 1ner h ILE 65 Ca -0.37 -0.55 -0.54 0.00 1.00 0.00 0.00 64.86 64.40 1ner h ILE 65 Cb 2.05 1.19 -0.40 0.00 -0.74 0.00 0.00 36.82 38.93 1ner h ILE 65 CO 0.07 0.00 -1.08 0.79 0.00 0.00 0.00 178.15 177.93 1ner n TRP 66 N -2.21 0.20 0.08 1.37 8.01 -0.70 -3.30 117.44 120.87 1ner n TRP 66 Ca 0.03 -3.68 -0.10 0.00 -1.31 0.00 0.00 57.50 52.44 1ner n TRP 66 Cb 0.45 -0.39 -0.02 0.00 -2.01 0.00 0.00 31.31 29.34 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 3.75 0.27 0.00 -0.99 0.13 -1.76 -3.13 132.00 130.27 1ner h PRO 67 Ca 0.09 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ner h PRO 67 Cb 0.87 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1ner h PRO 67 CO 0.51 1.00 -0.42 0.43 -0.23 0.00 0.00 178.00 179.30 1ner n SER 68 N -3.69 0.58 0.02 1.44 7.64 -1.26 -3.75 113.62 114.59 1ner n SER 68 Ca -0.05 0.15 0.11 0.00 1.01 0.00 0.00 58.87 60.09 1ner n SER 68 Cb 0.81 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.90 1ner n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ner n ARG 69 N -1.90 0.43 0.00 1.43 1.74 -1.24 -4.90 116.66 112.22 1ner n ARG 69 Ca 0.05 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1ner n ARG 69 Cb 0.40 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1ner n ARG 69 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ner n TYR 70 N -2.11 0.00 0.00 -1.55 4.01 -1.18 -5.16 117.16 111.17 1ner n TYR 70 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ner n TYR 70 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1ner n TYR 70 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ner n GLN 71 N 0.00 0.00 0.00 -0.72 -0.06 -1.25 -5.05 117.38 110.31 1ner n GLN 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ner n GLN 71 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ner n ALA 72 N -3.00 0.97 0.00 1.69 0.00 -1.26 -4.79 120.51 114.11 1ner n ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ner n ALA 72 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.21 0.91 0.00 0.00 0.00 -1.26 -4.99 105.19 100.07 1ner n GLY 73 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1ner n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48