#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ner s SER 2 N 0.00 7.57 0.01 0.00 0.15 -1.26 -4.94 113.70 115.23 1ner s SER 2 Ca 0.00 1.94 0.22 0.00 0.70 0.00 0.00 55.95 58.81 1ner s SER 2 Cb 0.00 -2.60 -0.23 0.00 -1.71 0.00 0.00 66.02 61.47 1ner s SER 2 CO 0.00 0.06 0.68 0.59 1.20 0.00 0.00 173.24 175.77 1ner n ASN 3 N 1.86 0.33 -4.87 5.45 3.02 -1.26 -4.72 115.26 115.07 1ner n ASN 3 Ca -0.01 -0.14 -0.31 0.00 -0.03 0.00 0.00 54.58 54.09 1ner n ASN 3 Cb 0.47 1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 41.12 1ner n ASN 3 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ner s GLU 4 N -3.38 3.81 0.97 3.52 2.02 -1.26 -4.69 118.70 119.69 1ner s GLU 4 Ca -0.03 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1ner s GLU 4 Cb 0.14 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1ner s GLU 4 CO 0.88 -0.06 0.00 1.63 0.02 0.00 0.00 175.26 177.73 1ner n LYS 5 N -1.29 0.00 0.00 1.61 5.02 -1.26 -4.85 118.16 117.39 1ner n LYS 5 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ner n LYS 5 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1ner n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ner n ALA 6 N 5.06 0.00 1.14 7.82 0.00 -1.26 -2.47 120.51 130.80 1ner n ALA 6 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ner n ALA 6 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 13.29 1.00 -1.68 0.00 5.12 -1.26 -4.94 116.66 128.18 1ner n ARG 7 Ca 0.00 -0.71 -0.32 0.00 -1.93 0.00 0.00 57.85 54.89 1ner n ARG 7 Cb 0.00 -1.49 0.05 0.00 -1.16 0.00 0.00 32.46 29.86 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 -2.49 5.28 -0.25 0.55 1.11 -1.03 -4.58 116.67 115.25 1ner s ASP 8 Ca 0.22 1.79 -0.29 0.00 0.18 0.00 0.00 52.55 54.45 1ner s ASP 8 Cb 0.19 -2.52 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 1ner s ASP 8 CO 0.54 -1.51 1.77 0.26 1.18 0.00 0.00 175.17 177.41 1ner s TRP 9 N -2.71 1.85 0.72 4.23 0.52 -1.20 -4.91 118.94 117.43 1ner s TRP 9 Ca 0.62 0.52 -0.17 0.00 0.02 0.00 0.00 56.10 57.09 1ner s TRP 9 Cb -0.16 -4.06 -0.15 0.00 -1.15 0.00 0.00 33.47 27.95 1ner s TRP 9 CO 0.47 -3.18 -0.44 0.72 0.02 0.00 0.00 176.95 174.54 1ner n HIS 10 N 9.48 -3.89 0.15 -1.98 8.25 -1.26 -4.33 115.22 121.64 1ner n HIS 10 Ca 0.22 0.21 0.19 0.00 -0.26 0.00 0.00 57.72 58.08 1ner n HIS 10 Cb 0.46 -1.52 0.77 0.00 1.12 0.00 0.00 29.99 30.82 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 -0.46 0.00 0.00 -0.41 -0.00 -1.98 0.41 114.38 111.94 1ner h ARG 11 Ca -0.41 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 58.85 1ner h ARG 11 Cb 1.34 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.27 1ner h ARG 11 CO 0.32 0.00 -1.45 0.00 0.00 0.00 0.00 179.97 178.84 1ner h ALA 12 N 1.52 0.68 0.00 0.04 0.00 -1.99 -3.17 119.26 116.35 1ner h ALA 12 Ca 0.14 -1.08 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1ner h ALA 12 Cb 0.90 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ner h ALA 12 CO -0.00 1.19 -0.28 -0.44 0.00 0.00 0.00 179.25 179.73 1ner h ASP 13 N 0.00 0.00 0.05 0.00 3.32 -0.45 0.84 116.42 120.18 1ner h ASP 13 Ca -0.19 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ner h ASP 13 Cb 1.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.31 1ner h ASP 13 CO 0.07 0.28 -0.02 0.58 -1.72 0.00 0.00 179.24 178.42 1ner h VAL 14 N 0.00 1.00 0.04 -1.35 2.07 -1.42 -2.95 116.25 113.64 1ner h VAL 14 Ca -0.00 -1.59 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1ner h VAL 14 Cb 0.64 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1ner h VAL 14 CO 0.04 0.32 -0.42 0.40 0.02 0.00 0.00 177.57 177.92 1ner h ILE 15 N -0.95 1.56 -0.62 4.57 2.04 -1.51 -1.33 117.51 121.26 1ner h ILE 15 Ca -0.01 -2.20 0.08 0.00 1.00 0.00 0.00 64.86 63.72 1ner h ILE 15 Cb 0.57 2.98 -0.06 0.00 -0.74 0.00 0.00 36.82 39.56 1ner h ILE 15 CO 0.01 0.61 0.29 0.00 0.00 0.00 0.00 178.15 179.06 1ner h ALA 16 N 0.17 0.82 0.09 1.87 0.00 0.53 0.94 119.26 123.69 1ner h ALA 16 Ca -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ner h ALA 16 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ner h ALA 16 CO 0.08 -0.09 -0.04 0.78 0.00 0.00 0.00 179.25 179.98 1ner h GLY 17 N 0.53 -0.13 0.86 0.00 0.00 -1.59 -1.41 103.07 101.34 1ner h GLY 17 Ca 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1ner h GLY 17 CO -0.24 -0.05 -0.18 1.41 0.00 0.00 0.00 176.54 177.48 1ner h LEU 18 N -0.55 -0.43 -0.81 3.11 3.38 -0.91 -1.62 115.31 117.47 1ner h LEU 18 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ner h LEU 18 Cb 0.46 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ner h LEU 18 CO 0.02 -0.20 0.02 1.17 0.09 0.00 0.00 178.44 179.54 1ner n LYS 19 N -5.25 0.08 0.09 1.13 4.81 0.32 -1.49 118.16 117.85 1ner n LYS 19 Ca -0.11 0.57 0.16 0.00 -0.87 0.00 0.00 58.31 58.07 1ner n LYS 19 Cb 0.25 -1.78 0.67 0.00 0.02 0.00 0.00 35.03 34.20 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 0.00 0.00 1.64 3.64 -0.22 -3.35 116.57 118.29 1ner h LYS 20 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ner h LYS 20 Cb 0.04 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 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 -4.43 0.00 -2.77 1.90 1.74 -0.55 -5.00 116.66 107.55 1ner n ARG 21 Ca 0.06 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1ner n ARG 21 Cb 0.44 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.95 1ner n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ner n LYS 22 N 0.00 1.10 -4.17 5.56 5.02 -1.25 -5.13 118.16 119.29 1ner n LYS 22 Ca 0.00 -2.26 -0.18 0.00 -2.02 0.00 0.00 58.31 53.85 1ner n LYS 22 Cb 0.00 -0.76 -0.12 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.78 2.29 -0.15 -0.35 1.43 -1.23 -4.99 118.68 112.89 1ner s LEU 23 Ca 0.25 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1ner s LEU 23 Cb 0.37 -0.50 0.05 0.00 0.03 0.00 0.00 46.19 46.13 1ner s LEU 23 CO -0.06 -0.09 0.38 -0.94 0.23 0.00 0.00 176.35 175.88 1ner s SER 24 N -1.81 -0.45 0.55 2.29 1.04 -1.26 -2.82 113.70 111.24 1ner s SER 24 Ca -0.01 0.81 0.40 0.00 0.48 0.00 0.00 55.95 57.63 1ner s SER 24 Cb -0.09 0.73 1.59 0.00 0.10 0.00 0.00 66.02 68.35 1ner s SER 24 CO 0.02 -0.17 1.74 -0.07 0.98 0.00 0.00 173.24 175.74 1ner h LEU 25 N 6.62 0.00 -0.36 2.42 3.38 -1.97 1.36 115.31 126.77 1ner h LEU 25 Ca -0.34 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.44 1ner h LEU 25 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ner h LEU 25 CO 0.29 0.00 -0.82 0.77 0.09 0.00 0.00 178.44 178.78 1ner h SER 26 N 0.00 0.30 -0.16 -0.43 4.64 -1.94 -2.26 113.55 113.68 1ner h SER 26 Ca 0.65 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1ner h SER 26 Cb 2.62 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 64.62 1ner h SER 26 CO -0.01 0.99 -0.08 0.00 -0.87 0.00 0.00 176.83 176.86 1ner h ALA 27 N 1.00 0.23 -0.47 5.18 0.00 0.14 -1.05 119.26 124.28 1ner h ALA 27 Ca -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ner h ALA 27 Cb 1.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1ner h ALA 27 CO 0.13 0.04 0.24 -0.07 0.00 0.00 0.00 179.25 179.58 1ner h LEU 28 N 0.02 0.58 -0.15 0.00 4.07 -1.35 0.30 115.31 118.78 1ner h LEU 28 Ca 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1ner h LEU 28 Cb 0.55 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1ner h LEU 28 CO 0.02 0.49 -0.02 0.77 -1.08 0.00 0.00 178.44 178.63 1ner h SER 29 N 0.66 0.27 0.05 -0.43 4.64 -1.13 -2.39 113.55 115.22 1ner h SER 29 Ca 0.17 -0.34 -0.14 0.00 -0.47 0.00 0.00 61.79 61.01 1ner h SER 29 Cb 0.06 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1ner h SER 29 CO -0.02 0.55 -0.49 -0.09 -0.87 0.00 0.00 176.83 175.91 1ner h ARG 30 N -0.00 0.50 0.00 4.77 1.12 -0.70 0.36 114.38 120.43 1ner h ARG 30 Ca 0.04 -0.28 -0.06 0.00 -1.11 0.00 0.00 59.98 58.57 1ner h ARG 30 Cb 0.42 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1ner h ARG 30 CO 0.01 0.87 -0.28 1.96 -3.11 0.00 0.00 179.97 179.43 1ner h GLN 31 N 0.40 0.00 0.00 0.20 4.20 -0.35 -3.23 115.11 116.33 1ner h GLN 31 Ca 0.02 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.46 1ner h GLN 31 Cb 1.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 1ner h GLN 31 CO 0.09 0.28 -2.03 1.19 -0.67 0.00 0.00 178.83 177.69 1ner n PHE 32 N -3.79 0.00 0.00 2.96 3.01 -0.91 -5.04 117.46 113.69 1ner n PHE 32 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1ner n PHE 32 Cb 0.37 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 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 2.07 3.41 3.65 1.37 0.00 0.13 -5.07 105.19 110.75 1ner n GLY 33 Ca -0.24 -1.02 -0.58 0.00 0.00 0.00 0.00 46.02 44.18 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 1.61 -1.01 1.61 4.01 -1.20 -4.76 117.16 117.42 1ner n TYR 34 Ca 0.00 0.75 -0.35 0.00 -0.16 0.00 0.00 57.90 58.14 1ner n TYR 34 Cb 0.00 -2.32 0.08 0.00 -0.31 0.00 0.00 39.34 36.79 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 3.63 -2.96 0.01 -0.72 0.00 -1.26 -4.41 120.51 114.80 1ner n ALA 35 Ca 0.24 -0.48 0.17 0.00 0.00 0.00 0.00 53.44 53.37 1ner n ALA 35 Cb 0.11 -1.64 0.65 0.00 0.00 0.00 0.00 19.45 18.57 1ner n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ner h PRO 36 N -0.97 0.08 -0.64 0.00 0.10 -1.88 -1.26 132.00 127.43 1ner h PRO 36 Ca -0.44 -0.00 0.02 0.00 0.10 0.00 0.00 66.00 65.68 1ner h PRO 36 Cb 1.32 -0.02 -0.04 0.00 0.10 0.00 0.00 31.00 32.36 1ner h PRO 36 CO 0.35 0.05 0.40 1.79 0.10 0.00 0.00 178.00 180.69 1ner h THR 37 N 0.08 1.10 0.54 -1.15 1.35 -1.97 -1.86 112.91 111.01 1ner h THR 37 Ca 0.23 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1ner h THR 37 Cb 0.81 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1ner h THR 37 CO -0.02 0.15 -0.45 0.74 -0.25 0.00 0.00 175.52 175.68 1ner h THR 38 N 0.80 0.00 -0.11 6.82 2.02 -1.53 0.32 112.91 121.23 1ner h THR 38 Ca 0.25 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.47 1ner h THR 38 Cb -0.01 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.33 1ner h THR 38 CO -0.09 0.00 -0.43 0.25 0.37 0.00 0.00 175.52 175.62 1ner h LEU 39 N -0.97 -1.34 0.34 2.58 7.12 -1.56 -0.98 115.31 120.50 1ner h LEU 39 Ca -0.07 0.17 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 1ner h LEU 39 Cb 0.82 0.54 -0.03 0.00 -0.53 0.00 0.00 40.66 41.46 1ner h LEU 39 CO -0.01 -0.44 -0.40 0.00 -0.13 0.00 0.00 178.44 177.46 1ner h ALA 40 N 0.05 -0.84 0.00 1.25 0.00 -1.22 -0.14 119.26 118.36 1ner h ALA 40 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ner h ALA 40 Cb 0.64 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ner h ALA 40 CO -0.39 -1.02 0.10 -1.71 0.00 0.00 0.00 179.25 176.23 1ner n ASN 41 N -5.49 0.06 -0.18 0.00 4.05 0.11 -1.64 115.26 112.17 1ner n ASN 41 Ca -0.10 0.44 0.00 0.00 0.45 0.00 0.00 54.58 55.37 1ner n ASN 41 Cb 0.39 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 40.96 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 -1.44 2.06 0.05 5.20 0.00 -0.06 -2.13 120.51 124.18 1ner n ALA 42 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ner n ALA 42 Cb 0.10 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 0.14 0.37 -0.27 0.00 3.38 -1.49 -3.41 115.31 114.03 1ner h LEU 43 Ca 0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1ner h LEU 43 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ner h LEU 43 CO 0.00 1.48 0.00 -1.84 0.09 0.00 0.00 178.44 178.17 1ner n GLU 44 N -3.43 0.44 -2.60 1.13 -0.00 -1.17 -5.06 120.64 109.94 1ner n GLU 44 Ca -0.19 -0.13 -0.39 0.00 -0.00 0.00 0.00 57.16 56.45 1ner n GLU 44 Cb 1.05 -0.55 -0.05 0.00 -0.00 0.00 0.00 31.44 31.89 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 -0.10 4.55 -1.02 3.44 6.06 -0.91 -4.88 118.95 126.08 1ner s ARG 45 Ca 0.00 1.57 -0.26 0.00 -2.50 0.00 0.00 55.73 54.55 1ner s ARG 45 Cb 0.00 -2.96 -0.16 0.00 0.06 0.00 0.00 34.95 31.89 1ner s ARG 45 CO 0.00 0.19 2.13 -1.01 -2.50 0.00 0.00 175.30 174.11 1ner s HIS 46 N -1.38 1.39 -0.45 5.12 3.76 -1.26 -4.52 115.29 117.95 1ner s HIS 46 Ca 0.48 1.75 0.04 0.00 -0.15 0.00 0.00 55.06 57.18 1ner s HIS 46 Cb -0.26 -3.54 0.25 0.00 1.11 0.00 0.00 32.58 30.14 1ner s HIS 46 CO 0.32 -1.06 0.98 1.87 -0.85 0.00 0.00 174.74 176.01 1ner n TRP 47 N 17.99 -2.58 0.21 1.40 -0.00 -1.26 -4.99 117.44 128.20 1ner n TRP 47 Ca 0.43 -1.45 0.14 0.00 -0.00 0.00 0.00 57.50 56.62 1ner n TRP 47 Cb 0.46 1.43 0.73 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 3.80 0.00 0.00 5.87 0.11 -1.93 -0.99 132.00 138.86 1ner h PRO 48 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1ner h PRO 48 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ner h PRO 48 CO 0.18 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 177.75 1ner h LYS 49 N 0.00 0.00 0.01 1.05 1.63 -1.96 -2.37 116.57 114.93 1ner h LYS 49 Ca 0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 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 0.00 -0.93 0.78 -3.45 0.00 0.00 179.45 175.85 1ner h GLY 50 N 2.30 0.10 1.59 5.01 0.00 -1.53 -3.03 103.07 107.51 1ner h GLY 50 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 1ner h GLY 50 CO 0.00 0.18 -0.53 0.83 0.00 0.00 0.00 176.54 177.02 1ner h GLU 51 N 0.04 0.44 -0.76 4.80 5.08 -1.59 -2.78 114.58 119.81 1ner h GLU 51 Ca -0.03 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1ner h GLU 51 Cb 1.60 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1ner h GLU 51 CO 0.13 0.86 0.41 1.96 -1.00 0.00 0.00 179.01 181.37 1ner h GLN 52 N 0.34 1.06 -0.12 2.33 4.20 -1.47 -0.39 115.11 121.06 1ner h GLN 52 Ca 0.01 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1ner h GLN 52 Cb 1.04 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1ner h GLN 52 CO 0.09 0.78 -0.09 0.82 -0.67 0.00 0.00 178.83 179.77 1ner h ILE 53 N 1.07 0.74 0.34 2.54 2.04 -1.38 0.48 117.51 123.34 1ner h ILE 53 Ca 0.27 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.11 1ner h ILE 53 Cb 0.04 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 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 -0.09 0.67 -0.51 -0.67 2.04 -1.39 -2.92 117.51 114.64 1ner h ILE 54 Ca 0.08 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.55 1ner h ILE 54 Cb 0.20 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1ner h ILE 54 CO -0.18 0.09 0.34 0.00 0.00 0.00 0.00 178.15 178.40 1ner h ALA 55 N -0.16 1.96 -0.84 1.87 0.00 -0.94 -0.09 119.26 121.06 1ner h ALA 55 Ca -0.05 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ner h ALA 55 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1ner h ALA 55 CO 0.08 -0.05 0.55 -0.91 0.00 0.00 0.00 179.25 178.91 1ner h ASN 56 N 0.40 0.86 -0.65 0.00 -0.26 0.14 -0.87 115.58 115.21 1ner h ASN 56 Ca 0.23 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.91 1ner h ASN 56 Cb 0.37 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 1ner h ASN 56 CO -0.06 0.58 0.23 0.00 -1.06 0.00 0.00 177.43 177.12 1ner h ALA 57 N 1.53 1.13 -0.24 -0.83 0.00 -0.87 -1.14 119.26 118.84 1ner h ALA 57 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ner h ALA 57 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ner h ALA 57 CO -0.11 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1ner n LEU 58 N -4.28 1.48 -1.40 0.00 4.77 -0.55 -4.86 117.00 112.16 1ner n LEU 58 Ca 0.06 -0.71 -0.14 0.00 -0.03 0.00 0.00 56.01 55.19 1ner n LEU 58 Cb 0.20 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1ner n LEU 58 CO 0.40 0.35 -0.13 -0.62 -1.33 0.00 0.00 177.39 176.06 1ner n GLU 59 N 0.27 -1.32 -1.66 3.23 1.02 -0.43 -4.91 120.64 116.84 1ner n GLU 59 Ca 0.12 0.84 -0.01 0.00 -0.02 0.00 0.00 57.16 58.08 1ner n GLU 59 Cb 0.25 -5.10 -0.00 0.00 -0.02 0.00 0.00 31.44 26.57 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 -1.94 0.00 -4.07 2.62 5.66 -0.80 -5.00 114.28 110.75 1ner n THR 60 Ca -0.14 -0.11 -0.31 0.00 -3.05 0.00 0.00 64.05 60.44 1ner n THR 60 Cb 0.47 -0.44 -0.07 0.00 -1.55 0.00 0.00 70.33 68.74 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 -2.11 2.91 0.65 1.09 1.02 -1.26 -4.34 119.74 117.71 1ner s LYS 61 Ca 0.01 -0.64 0.43 0.00 0.02 0.00 0.00 55.97 55.79 1ner s LYS 61 Cb -0.00 -2.75 2.30 0.00 -0.52 0.00 0.00 37.83 36.86 1ner s LYS 61 CO 0.01 0.59 2.32 -1.00 -0.92 0.00 0.00 175.35 176.35 1ner h PRO 62 N 3.51 0.00 0.00 -1.68 0.13 -1.91 -0.60 132.00 131.45 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ner h PRO 62 CO 0.65 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.35 1ner h GLU 63 N 0.00 0.00 0.00 0.86 5.08 -1.94 -1.15 114.58 117.44 1ner h GLU 63 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1ner h GLU 63 Cb 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1ner h GLU 63 CO 0.00 0.00 -1.77 0.28 -1.00 0.00 0.00 179.01 176.52 1ner n VAL 64 N -2.34 1.60 0.09 3.13 0.31 -0.23 -3.63 118.33 117.26 1ner n VAL 64 Ca -0.00 -0.80 0.08 0.00 -0.01 0.00 0.00 64.34 63.62 1ner n VAL 64 Cb 0.13 -1.02 -0.02 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 0.00 0.14 -2.20 2.52 2.04 -1.54 -3.40 117.51 115.08 1ner h ILE 65 Ca -0.31 -1.28 -0.58 0.00 1.00 0.00 0.00 64.86 63.69 1ner h ILE 65 Cb 2.03 1.66 -0.40 0.00 -0.74 0.00 0.00 36.82 39.38 1ner h ILE 65 CO 0.08 0.08 -0.92 0.79 0.00 0.00 0.00 178.15 178.18 1ner n TRP 66 N -2.75 0.83 0.76 1.37 8.01 -0.49 -3.22 117.44 121.95 1ner n TRP 66 Ca -0.02 -3.73 0.11 0.00 -1.31 0.00 0.00 57.50 52.55 1ner n TRP 66 Cb 0.63 -0.32 0.48 0.00 -2.01 0.00 0.00 31.31 30.09 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 1.55 0.03 0.00 -0.99 -0.04 -1.24 -4.58 135.00 129.73 1ner n PRO 67 Ca 0.25 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1ner n PRO 67 Cb 0.48 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1ner n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ner n SER 68 N -1.59 0.00 -3.40 3.54 2.88 -1.26 -3.43 113.62 110.36 1ner n SER 68 Ca 0.05 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.23 1ner n SER 68 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.00 4.72 -3.71 -1.46 1.74 -1.26 -4.96 116.66 111.73 1ner n ARG 69 Ca 0.00 -4.70 -0.39 0.00 -0.77 0.00 0.00 57.85 51.99 1ner n ARG 69 Cb 0.00 -2.39 -0.12 0.00 -1.02 0.00 0.00 32.46 28.93 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 -4.07 3.25 0.00 -1.55 1.51 -1.22 -4.92 117.35 110.35 1ner s TYR 70 Ca 0.42 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.19 1ner s TYR 70 Cb 0.22 -2.32 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1ner s TYR 70 CO -0.14 -0.71 0.00 0.94 -1.11 0.00 0.00 175.55 174.53 1ner n GLN 71 N 4.87 0.00 -1.37 -0.62 7.27 -1.26 -4.98 117.38 121.28 1ner n GLN 71 Ca -0.12 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.81 1ner n GLN 71 Cb 0.45 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.04 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ner n ALA 72 N -3.00 -0.21 0.00 1.69 0.00 -1.26 -3.95 120.51 113.78 1ner n ALA 72 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ner n ALA 72 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.17 -0.86 0.00 0.00 0.00 -1.26 -5.36 105.19 97.54 1ner n GLY 73 Ca -0.14 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ner n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48