#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 -2.34 -4.75 0.00 7.64 -1.26 -4.84 113.62 108.07 1ner n SER 2 Ca 0.00 0.22 -0.41 0.00 1.01 0.00 0.00 58.87 59.69 1ner n SER 2 Cb 0.00 -2.30 -0.02 0.00 -1.01 0.00 0.00 64.21 60.88 1ner n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ner s ASN 3 N -1.76 6.72 0.00 6.43 2.20 -1.26 -4.91 114.94 122.36 1ner s ASN 3 Ca 0.00 2.65 0.00 0.00 -0.94 0.00 0.00 52.86 54.57 1ner s ASN 3 Cb 0.00 -2.63 0.00 0.00 -2.00 0.00 0.00 41.25 36.62 1ner s ASN 3 CO 0.00 -0.62 0.00 -0.62 -2.94 0.00 0.00 177.10 172.92 1ner n GLU 4 N 1.75 0.00 0.00 3.55 -0.58 -1.26 -4.79 120.64 119.31 1ner n GLU 4 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1ner n GLU 4 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 1ner n GLU 4 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ner n LYS 5 N -1.96 0.98 -0.06 3.49 4.01 -1.26 -4.99 118.16 118.37 1ner n LYS 5 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.81 1ner n LYS 5 Cb 0.00 -1.01 -0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ner n ALA 6 N -0.49 -0.15 0.94 7.82 0.00 -1.26 -4.39 120.51 122.98 1ner n ALA 6 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1ner n ALA 6 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.61 0.04 0.00 0.00 5.12 -1.26 -4.91 116.66 115.04 1ner n ARG 7 Ca 0.00 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1ner n ARG 7 Cb 0.03 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 1ner n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ner n ASP 8 N -1.56 -0.74 -4.60 0.55 8.00 -1.26 -4.88 116.55 112.07 1ner n ASP 8 Ca 0.04 -0.63 -0.43 0.00 0.71 0.00 0.00 54.79 54.49 1ner n ASP 8 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.99 1.68 1.00 1.24 0.52 -1.19 -4.93 118.94 116.27 1ner s TRP 9 Ca 0.00 0.63 -0.18 0.00 0.02 0.00 0.00 56.10 56.58 1ner s TRP 9 Cb 0.00 -4.08 -0.08 0.00 -1.15 0.00 0.00 33.47 28.16 1ner s TRP 9 CO 0.00 -3.11 -0.50 0.72 0.02 0.00 0.00 176.95 174.08 1ner n HIS 10 N 10.71 -3.17 0.02 -1.98 8.25 -1.26 -4.40 115.22 123.39 1ner n HIS 10 Ca 0.24 0.17 0.20 0.00 -0.26 0.00 0.00 57.72 58.07 1ner n HIS 10 Cb 0.47 -1.54 0.71 0.00 1.12 0.00 0.00 29.99 30.76 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 -1.27 0.00 0.00 -0.41 3.08 -1.91 0.59 114.38 114.46 1ner h ARG 11 Ca -0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.43 1ner h ARG 11 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 1ner h ARG 11 CO 0.27 0.00 -1.32 0.00 -1.07 0.00 0.00 179.97 177.86 1ner h ALA 12 N 1.69 0.66 0.00 0.04 0.00 -1.99 -3.18 119.26 116.49 1ner h ALA 12 Ca 0.24 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1ner h ALA 12 Cb 1.01 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ner h ALA 12 CO -0.00 1.00 -0.17 -0.44 0.00 0.00 0.00 179.25 179.64 1ner h ASP 13 N 0.00 0.00 0.07 0.00 5.19 -1.15 1.10 116.42 121.63 1ner h ASP 13 Ca -0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1ner h ASP 13 Cb 1.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1ner h ASP 13 CO 0.06 0.17 -0.03 0.58 -3.12 0.00 0.00 179.24 176.90 1ner h VAL 14 N 0.00 0.47 0.00 -1.35 2.07 -1.47 -2.93 116.25 113.04 1ner h VAL 14 Ca -0.00 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1ner h VAL 14 Cb 0.53 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ner h VAL 14 CO 0.02 0.15 -0.00 0.40 0.02 0.00 0.00 177.57 178.16 1ner h ILE 15 N -1.00 1.59 -0.66 4.57 2.04 -1.51 -0.01 117.51 122.53 1ner h ILE 15 Ca -0.01 -1.77 0.10 0.00 1.00 0.00 0.00 64.86 64.18 1ner h ILE 15 Cb 0.32 2.79 -0.07 0.00 -0.74 0.00 0.00 36.82 39.12 1ner h ILE 15 CO 0.02 0.46 0.28 0.00 0.00 0.00 0.00 178.15 178.90 1ner h ALA 16 N 0.24 0.88 -0.22 1.87 0.00 0.11 0.76 119.26 122.89 1ner h ALA 16 Ca -0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ner h ALA 16 Cb 0.75 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ner h ALA 16 CO 0.00 -0.15 -0.20 0.78 0.00 0.00 0.00 179.25 179.68 1ner h GLY 17 N 0.47 0.58 0.58 0.00 0.00 -1.55 -2.45 103.07 100.70 1ner h GLY 17 Ca 0.33 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ner h GLY 17 CO -0.30 0.52 -0.13 1.41 0.00 0.00 0.00 176.54 178.04 1ner h LEU 18 N 0.22 -0.31 -2.32 3.11 3.38 -0.23 -2.93 115.31 116.23 1ner h LEU 18 Ca 0.04 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1ner h LEU 18 Cb 0.75 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ner h LEU 18 CO 0.05 0.10 0.22 0.11 0.09 0.00 0.00 178.44 179.01 1ner h LYS 19 N -0.79 0.00 -0.42 1.13 1.57 0.68 -0.40 116.57 118.33 1ner h LYS 19 Ca -0.04 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1ner h LYS 19 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1ner h LYS 19 CO 0.06 0.00 0.36 -0.22 -0.57 0.00 0.00 179.45 179.08 1ner h LYS 20 N 0.00 0.00 0.00 3.15 3.64 -1.23 -3.32 116.57 118.80 1ner h LYS 20 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ner h LYS 20 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ner h LYS 20 CO -0.00 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.72 1ner n ARG 21 N -4.10 0.00 -2.70 1.90 1.74 -0.16 -5.00 116.66 108.34 1ner n ARG 21 Ca 0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1ner n ARG 21 Cb 0.55 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.09 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 1.30 -4.24 5.56 0.00 -1.24 -5.13 118.16 114.40 1ner n LYS 22 Ca 0.00 -1.95 -0.21 0.00 0.00 0.00 0.00 58.31 56.15 1ner n LYS 22 Cb 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 35.03 34.73 1ner n LYS 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ner s LEU 23 N -3.55 2.28 -0.17 3.14 1.43 -1.23 -5.00 118.68 115.58 1ner s LEU 23 Ca 0.19 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1ner s LEU 23 Cb 0.42 -0.72 0.07 0.00 0.03 0.00 0.00 46.19 45.99 1ner s LEU 23 CO -0.08 -0.00 0.39 -0.94 0.23 0.00 0.00 176.35 175.94 1ner s SER 24 N -1.80 -0.34 0.38 2.29 1.04 -1.26 -2.82 113.70 111.17 1ner s SER 24 Ca 0.03 0.87 0.26 0.00 0.48 0.00 0.00 55.95 57.58 1ner s SER 24 Cb -0.10 0.91 1.30 0.00 0.10 0.00 0.00 66.02 68.22 1ner s SER 24 CO 0.03 -0.21 1.39 0.18 0.98 0.00 0.00 173.24 175.62 1ner n LEU 25 N 4.69 0.22 -0.02 2.42 4.77 -1.26 0.89 117.00 128.70 1ner n LEU 25 Ca -0.18 1.30 -0.16 0.00 -0.03 0.00 0.00 56.01 56.94 1ner n LEU 25 Cb 0.53 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1ner n LEU 25 CO 0.06 -1.43 0.33 0.28 -1.33 0.00 0.00 177.39 175.30 1ner h SER 26 N 0.00 0.67 -0.35 -1.43 0.02 -1.95 -2.96 113.55 107.55 1ner h SER 26 Ca 0.78 -0.65 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1ner h SER 26 Cb 2.39 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.72 1ner h SER 26 CO -0.49 1.22 -0.08 0.00 -1.14 0.00 0.00 176.83 176.34 1ner h ALA 27 N 0.47 0.48 0.00 3.77 0.00 0.10 -2.50 119.26 121.58 1ner h ALA 27 Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ner h ALA 27 Cb 1.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ner h ALA 27 CO 0.12 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.58 1ner h LEU 28 N 0.47 0.00 -0.03 0.00 4.07 -1.30 -2.19 115.31 116.33 1ner h LEU 28 Ca 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ner h LEU 28 Cb 0.59 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 1ner h LEU 28 CO 0.03 0.05 0.00 0.77 -1.08 0.00 0.00 178.44 178.22 1ner h SER 29 N 0.00 0.05 0.68 -0.43 4.64 -1.27 -2.81 113.55 114.41 1ner h SER 29 Ca -0.00 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1ner h SER 29 Cb 0.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1ner h SER 29 CO 0.01 0.30 -0.28 0.03 -0.87 0.00 0.00 176.83 176.02 1ner h ARG 30 N -0.21 0.00 0.00 4.77 3.08 -1.34 -0.40 114.38 120.28 1ner h ARG 30 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1ner h ARG 30 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1ner h ARG 30 CO 0.00 0.28 -0.27 1.96 -1.07 0.00 0.00 179.97 180.87 1ner h GLN 31 N 0.00 0.00 0.00 0.04 4.20 -1.16 -3.28 115.11 114.91 1ner h GLN 31 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1ner h GLN 31 Cb 0.70 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1ner h GLN 31 CO 0.04 0.27 -1.78 1.19 -0.67 0.00 0.00 178.83 177.87 1ner n PHE 32 N -3.86 0.00 0.00 2.96 3.01 -1.08 -5.05 117.46 113.44 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 0.35 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 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 3.61 1.37 0.00 -0.18 -5.09 105.19 110.78 1ner n GLY 33 Ca -0.18 -0.78 -0.56 0.00 0.00 0.00 0.00 46.02 44.50 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 1.51 -0.78 1.61 4.01 -1.22 -4.76 117.16 117.53 1ner n TYR 34 Ca 0.00 0.72 -0.33 0.00 -0.16 0.00 0.00 57.90 58.12 1ner n TYR 34 Cb 0.00 -2.32 0.13 0.00 -0.31 0.00 0.00 39.34 36.84 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 3.12 -3.49 0.22 -0.72 0.00 -1.26 -4.22 120.51 114.15 1ner n ALA 35 Ca 0.21 -0.87 0.17 0.00 0.00 0.00 0.00 53.44 52.96 1ner n ALA 35 Cb 0.14 -1.61 0.84 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.65 0.00 -0.43 0.00 0.13 -1.88 -2.25 132.00 125.92 1ner h PRO 36 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1ner h PRO 36 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1ner h PRO 36 CO 0.34 0.00 0.03 1.79 -0.23 0.00 0.00 178.00 179.93 1ner h THR 37 N 0.00 1.26 0.49 1.56 1.35 -1.95 -2.92 112.91 112.69 1ner h THR 37 Ca 0.07 -0.98 -0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1ner h THR 37 Cb 0.41 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1ner h THR 37 CO -0.00 0.34 -0.42 0.74 -0.25 0.00 0.00 175.52 175.92 1ner h THR 38 N 0.58 0.15 -0.31 6.82 2.02 -1.71 0.33 112.91 120.79 1ner h THR 38 Ca 0.12 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1ner h THR 38 Cb 0.45 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 1ner h THR 38 CO 0.02 0.00 -0.41 0.25 0.37 0.00 0.00 175.52 175.75 1ner h LEU 39 N -0.91 -1.32 -0.30 2.58 7.12 -1.63 -0.54 115.31 120.31 1ner h LEU 39 Ca -0.05 0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.20 1ner h LEU 39 Cb 0.78 0.57 -0.04 0.00 -0.53 0.00 0.00 40.66 41.44 1ner h LEU 39 CO -0.03 -0.38 0.05 0.00 -0.13 0.00 0.00 178.44 177.95 1ner h ALA 40 N 0.38 0.31 0.00 1.25 0.00 -1.31 0.43 119.26 120.31 1ner h ALA 40 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ner h ALA 40 Cb 0.59 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ner h ALA 40 CO -0.51 -0.36 0.07 0.09 0.00 0.00 0.00 179.25 178.54 1ner n ASN 41 N -5.10 0.00 0.22 0.00 3.02 0.12 -1.13 115.26 112.38 1ner n ASN 41 Ca 0.00 0.30 0.10 0.00 -0.03 0.00 0.00 54.58 54.95 1ner n ASN 41 Cb 0.14 -0.30 0.44 0.00 -0.61 0.00 0.00 39.78 39.45 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ner h ALA 42 N 1.62 0.99 0.00 5.41 0.00 -0.04 -1.62 119.26 125.61 1ner h ALA 42 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1ner h ALA 42 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ner h ALA 42 CO 0.00 0.25 -0.81 -0.07 0.00 0.00 0.00 179.25 178.63 1ner h LEU 43 N 0.00 0.00 0.00 0.00 3.38 -1.29 -3.42 115.31 113.98 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 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ner h LEU 43 CO 0.03 0.39 -0.31 -0.62 0.09 0.00 0.00 178.44 178.02 1ner n GLU 44 N -3.02 0.18 -2.51 1.13 4.71 -1.11 -4.98 120.64 115.04 1ner n GLU 44 Ca -0.02 0.16 -0.34 0.00 -0.01 0.00 0.00 57.16 56.95 1ner n GLU 44 Cb 0.72 -0.91 -0.03 0.00 -1.01 0.00 0.00 31.44 30.20 1ner n GLU 44 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1ner s ARG 45 N -1.62 3.77 -0.26 3.49 3.00 -0.63 -4.95 118.95 121.75 1ner s ARG 45 Ca -0.09 1.35 -0.29 0.00 0.00 0.00 0.00 55.73 56.71 1ner s ARG 45 Cb 0.01 -2.09 -0.03 0.00 0.00 0.00 0.00 34.95 32.85 1ner s ARG 45 CO 0.13 -0.46 1.75 -3.38 0.00 0.00 0.00 175.30 173.35 1ner s HIS 46 N -2.01 1.87 -0.46 -0.53 -3.43 -1.26 -4.63 115.29 104.84 1ner s HIS 46 Ca 0.67 0.53 0.04 0.00 -0.80 0.00 0.00 55.06 55.50 1ner s HIS 46 Cb -0.16 -4.06 0.24 0.00 -1.43 0.00 0.00 32.58 27.16 1ner s HIS 46 CO 0.21 -3.14 0.94 1.87 -2.00 0.00 0.00 174.74 172.62 1ner n TRP 47 N 9.46 -2.74 0.30 0.38 -0.00 -1.26 -5.01 117.44 118.56 1ner n TRP 47 Ca 0.21 -1.41 0.18 0.00 -0.00 0.00 0.00 57.50 56.49 1ner n TRP 47 Cb 0.46 1.43 0.95 0.00 -0.00 0.00 0.00 31.31 34.15 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 4.03 0.00 0.00 5.87 0.11 -1.90 -0.42 132.00 139.70 1ner h PRO 48 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1ner h PRO 48 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ner h PRO 48 CO 0.14 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 177.71 1ner h LYS 49 N 0.00 0.00 0.00 1.05 3.64 -1.98 -1.59 116.57 117.68 1ner h LYS 49 Ca 0.03 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 1ner h LYS 49 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1ner h LYS 49 CO -0.00 0.00 -0.83 0.78 -2.27 0.00 0.00 179.45 177.13 1ner h GLY 50 N 2.06 0.00 1.63 5.01 0.00 -1.45 -3.12 103.07 107.19 1ner h GLY 50 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1ner h GLY 50 CO 0.00 0.00 -0.58 0.83 0.00 0.00 0.00 176.54 176.79 1ner h GLU 51 N 0.00 0.39 -0.52 4.80 5.08 -1.42 -3.04 114.58 119.88 1ner h GLU 51 Ca -0.01 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ner h GLU 51 Cb 1.57 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1ner h GLU 51 CO 0.11 0.86 0.31 1.96 -1.00 0.00 0.00 179.01 181.25 1ner h GLN 52 N 0.29 0.70 -0.26 2.33 4.20 -1.46 0.13 115.11 121.04 1ner h GLN 52 Ca -0.00 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.70 1ner h GLN 52 Cb 1.11 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 1ner h GLN 52 CO 0.10 0.51 -0.11 0.82 -0.67 0.00 0.00 178.83 179.49 1ner h ILE 53 N 0.69 0.64 0.75 2.54 2.04 -1.49 0.79 117.51 123.47 1ner h ILE 53 Ca 0.19 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.01 1ner h ILE 53 Cb -0.01 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1ner h ILE 53 CO -0.03 0.00 -0.36 0.40 0.00 0.00 0.00 178.15 178.15 1ner h ILE 54 N -0.06 0.09 -0.47 -0.67 2.04 -1.38 -2.98 117.51 114.07 1ner h ILE 54 Ca 0.14 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1ner h ILE 54 Cb 0.27 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1ner h ILE 54 CO -0.31 0.01 0.33 0.00 0.00 0.00 0.00 178.15 178.18 1ner h ALA 55 N -1.14 2.25 -0.46 1.87 0.00 -0.55 -1.63 119.26 119.61 1ner h ALA 55 Ca -0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1ner h ALA 55 Cb 0.79 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1ner h ALA 55 CO 0.17 -0.38 0.15 -0.97 0.00 0.00 0.00 179.25 178.22 1ner h ASN 56 N 0.14 0.14 0.24 0.00 -1.24 0.76 0.77 115.58 116.39 1ner h ASN 56 Ca 0.22 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 1ner h ASN 56 Cb 0.69 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 1ner h ASN 56 CO -0.03 0.11 -0.01 0.00 -1.29 0.00 0.00 177.43 176.21 1ner h ALA 57 N 1.31 1.04 -0.23 1.57 0.00 -1.26 0.16 119.26 121.86 1ner h ALA 57 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ner h ALA 57 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ner h ALA 57 CO -0.24 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.30 1ner n LEU 58 N -3.15 1.90 0.00 0.00 4.77 0.24 -4.87 117.00 115.89 1ner n LEU 58 Ca -0.02 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1ner n LEU 58 Cb 0.13 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ner n LEU 58 CO 0.22 0.42 0.00 -0.62 -1.33 0.00 0.00 177.39 176.08 1ner n GLU 59 N 0.49 -1.17 -0.90 3.23 -0.58 0.04 -4.89 120.64 116.87 1ner n GLU 59 Ca 0.16 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1ner n GLU 59 Cb 0.35 -4.40 0.00 0.00 -0.57 0.00 0.00 31.44 26.82 1ner n GLU 59 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1ner n THR 60 N -1.68 0.00 -4.26 2.62 5.66 -1.20 -5.04 114.28 110.39 1ner n THR 60 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1ner n THR 60 Cb 0.25 -0.44 -0.10 0.00 -1.55 0.00 0.00 70.33 68.50 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 -0.35 2.09 0.52 1.09 3.01 -1.26 -4.39 119.74 120.45 1ner s LYS 61 Ca 0.00 -1.15 0.33 0.00 -1.01 0.00 0.00 55.97 54.14 1ner s LYS 61 Cb 0.00 -2.23 1.77 0.00 -1.01 0.00 0.00 37.83 36.36 1ner s LYS 61 CO 0.00 0.47 1.99 -1.00 0.51 0.00 0.00 175.35 177.32 1ner h PRO 62 N 3.24 0.00 0.00 -1.68 0.13 -1.89 -0.76 132.00 131.04 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ner h PRO 62 CO 0.53 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.23 1ner h GLU 63 N 0.00 0.00 0.00 0.86 5.08 -1.94 -1.71 114.58 116.87 1ner h GLU 63 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1ner h GLU 63 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1ner h GLU 63 CO 0.00 0.00 -1.66 0.28 -1.00 0.00 0.00 179.01 176.63 1ner n VAL 64 N -2.61 1.45 0.12 3.13 0.31 -0.29 -3.45 118.33 116.99 1ner n VAL 64 Ca -0.01 -0.76 0.11 0.00 -0.01 0.00 0.00 64.34 63.66 1ner n VAL 64 Cb 0.09 -0.90 0.03 0.00 -0.91 0.00 0.00 33.84 32.14 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 0.00 0.01 -2.04 2.52 2.04 -1.49 -3.39 117.51 115.16 1ner h ILE 65 Ca -0.26 -1.02 -0.54 0.00 1.00 0.00 0.00 64.86 64.04 1ner h ILE 65 Cb 1.88 1.60 -0.40 0.00 -0.74 0.00 0.00 36.82 39.17 1ner h ILE 65 CO 0.06 0.01 -1.06 0.79 0.00 0.00 0.00 178.15 177.96 1ner n TRP 66 N -2.76 0.44 -0.03 1.37 8.01 -0.72 -3.15 117.44 120.60 1ner n TRP 66 Ca 0.01 -3.72 -0.15 0.00 -1.31 0.00 0.00 57.50 52.33 1ner n TRP 66 Cb 0.55 -0.40 -0.10 0.00 -2.01 0.00 0.00 31.31 29.35 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 3.70 0.28 0.00 -0.99 0.13 -1.77 -3.24 132.00 130.10 1ner h PRO 67 Ca 0.10 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1ner h PRO 67 Cb 0.86 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ner h PRO 67 CO 0.53 0.91 0.00 0.45 -0.23 0.00 0.00 178.00 179.66 1ner n SER 68 N -4.45 0.00 -0.04 1.44 2.88 -1.26 -2.77 113.62 109.42 1ner n SER 68 Ca -0.09 -0.40 0.02 0.00 -1.33 0.00 0.00 58.87 57.07 1ner n SER 68 Cb 0.50 -0.09 -0.13 0.00 -0.75 0.00 0.00 64.21 63.75 1ner n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ner n ARG 69 N -1.09 0.88 -3.79 -1.46 5.12 -1.23 -4.98 116.66 110.11 1ner n ARG 69 Ca 0.12 -0.10 -0.21 0.00 -1.93 0.00 0.00 57.85 55.74 1ner n ARG 69 Cb 0.09 -1.41 -0.02 0.00 -1.16 0.00 0.00 32.46 29.95 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 -2.87 3.12 -0.49 -1.55 2.02 -1.11 -5.08 117.35 111.39 1ner s TYR 70 Ca -0.07 -0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 1ner s TYR 70 Cb 0.08 -1.74 0.22 0.00 -0.40 0.00 0.00 41.96 40.12 1ner s TYR 70 CO 0.69 0.23 0.77 0.94 -1.57 0.00 0.00 175.55 176.62 1ner n GLN 71 N -1.43 0.65 -1.38 -0.62 -0.06 -1.26 -4.94 117.38 108.33 1ner n GLN 71 Ca -0.04 -2.03 -0.05 0.00 -2.00 0.00 0.00 57.00 52.88 1ner n GLN 71 Cb 0.58 -1.46 -0.02 0.00 -4.06 0.00 0.00 30.24 25.28 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 2.20 3.15 1.23 1.69 0.00 -1.26 -4.93 120.51 122.59 1ner n ALA 72 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1ner n ALA 72 Cb 0.59 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.38 0.50 0.70 0.00 0.00 -1.26 -5.27 105.19 99.48 1ner n GLY 73 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ner n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48