#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 0.20 0.00 7.64 -1.26 -5.05 113.62 115.16 1ner n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ner n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.10 -3.47 0.00 6.43 4.13 -1.26 -4.98 115.26 115.01 1ner n ASN 3 Ca 0.00 0.78 0.00 0.00 1.68 0.00 0.00 54.58 57.04 1ner n ASN 3 Cb 0.00 3.29 0.00 0.00 -1.54 0.00 0.00 39.78 41.53 1ner n ASN 3 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ner n GLU 4 N -3.35 -0.46 -0.61 3.52 4.07 -1.26 -4.36 120.64 118.18 1ner n GLU 4 Ca 0.00 0.11 -0.01 0.00 -0.06 0.00 0.00 57.16 57.20 1ner n GLU 4 Cb 0.00 -4.44 -0.01 0.00 -0.06 0.00 0.00 31.44 26.93 1ner n GLU 4 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1ner n LYS 5 N -1.19 0.00 -0.55 5.31 5.02 -1.26 -5.09 118.16 120.39 1ner n LYS 5 Ca 0.00 -0.35 0.08 0.00 -2.02 0.00 0.00 58.31 56.02 1ner n LYS 5 Cb 0.11 0.02 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 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 0.01 -2.12 0.68 7.82 0.00 -1.26 -4.34 120.51 121.30 1ner n ALA 6 Ca -0.05 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1ner n ALA 6 Cb 0.58 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.07 0.21 0.00 0.00 5.12 -1.26 -4.95 116.66 113.71 1ner n ARG 7 Ca 0.00 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1ner n ARG 7 Cb 0.25 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 -1.75 -0.10 -4.60 0.55 8.00 -1.26 -4.89 116.55 112.49 1ner n ASP 8 Ca 0.02 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.83 1ner n ASP 8 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.30 1.80 0.74 1.24 0.52 -1.18 -4.94 118.94 116.81 1ner s TRP 9 Ca 0.00 0.58 -0.17 0.00 0.02 0.00 0.00 56.10 56.54 1ner s TRP 9 Cb 0.00 -4.10 -0.09 0.00 -1.15 0.00 0.00 33.47 28.13 1ner s TRP 9 CO 0.00 -3.08 0.06 0.72 0.02 0.00 0.00 176.95 174.68 1ner n HIS 10 N 10.04 -2.34 -0.10 -1.98 8.25 -1.26 -4.41 115.22 123.42 1ner n HIS 10 Ca 0.23 0.29 0.27 0.00 -0.26 0.00 0.00 57.72 58.24 1ner n HIS 10 Cb 0.46 -1.74 0.70 0.00 1.12 0.00 0.00 29.99 30.53 1ner n HIS 10 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1ner h ARG 11 N -0.49 0.00 0.00 -0.41 -0.00 -1.92 0.83 114.38 112.39 1ner h ARG 11 Ca -0.44 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.31 1ner h ARG 11 Cb 1.36 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.29 1ner h ARG 11 CO 0.38 0.00 -1.26 0.00 -0.00 0.00 0.00 179.97 179.09 1ner h ALA 12 N 1.36 0.57 0.00 0.08 0.00 -1.99 -3.12 119.26 116.15 1ner h ALA 12 Ca 0.37 -1.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 1ner h ALA 12 Cb 1.73 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ner h ALA 12 CO -0.00 1.29 -0.15 -0.44 0.00 0.00 0.00 179.25 179.95 1ner h ASP 13 N 0.00 0.00 0.16 0.00 5.19 0.39 0.77 116.42 122.93 1ner h ASP 13 Ca -0.13 0.00 -0.01 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 0.15 -0.08 0.58 -3.12 0.00 0.00 179.24 176.87 1ner h VAL 14 N 0.00 0.13 -0.01 -1.35 2.07 -1.33 -2.72 116.25 113.03 1ner h VAL 14 Ca -0.00 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1ner h VAL 14 Cb 0.53 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ner h VAL 14 CO 0.02 0.04 -0.15 0.40 0.02 0.00 0.00 177.57 177.90 1ner h ILE 15 N -1.04 1.54 -0.45 4.57 2.04 -1.49 -0.48 117.51 122.20 1ner h ILE 15 Ca -0.02 -1.81 0.07 0.00 1.00 0.00 0.00 64.86 64.10 1ner h ILE 15 Cb 0.22 2.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.94 1ner h ILE 15 CO 0.04 0.49 0.13 0.00 0.00 0.00 0.00 178.15 178.80 1ner h ALA 16 N 0.29 0.52 0.23 1.87 0.00 0.39 1.54 119.26 124.11 1ner h ALA 16 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ner h ALA 16 Cb 0.88 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ner h ALA 16 CO 0.03 -0.27 -0.11 0.78 0.00 0.00 0.00 179.25 179.68 1ner h GLY 17 N 0.28 -0.32 0.68 0.00 0.00 -1.51 -0.98 103.07 101.22 1ner h GLY 17 Ca 0.22 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1ner h GLY 17 CO -0.25 -0.12 -0.33 1.41 0.00 0.00 0.00 176.54 177.26 1ner h LEU 18 N -0.57 -0.78 0.00 3.11 3.38 -0.71 -2.34 115.31 117.40 1ner h LEU 18 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ner h LEU 18 Cb 0.42 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ner h LEU 18 CO 0.05 -0.44 0.11 1.17 0.09 0.00 0.00 178.44 179.42 1ner n LYS 19 N -5.10 0.00 0.06 1.13 4.81 0.52 -1.45 118.16 118.13 1ner n LYS 19 Ca -0.11 0.30 0.18 0.00 -0.87 0.00 0.00 58.31 57.80 1ner n LYS 19 Cb 0.36 -1.61 0.69 0.00 0.02 0.00 0.00 35.03 34.50 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 -0.59 -3.33 116.57 117.93 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 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 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 -4.35 0.00 -2.79 1.90 1.74 -0.53 -4.99 116.66 107.63 1ner n ARG 21 Ca 0.07 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1ner n ARG 21 Cb 0.50 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.01 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 1.07 -4.32 5.56 5.02 -1.25 -5.13 118.16 119.11 1ner n LYS 22 Ca 0.00 -2.30 -0.24 0.00 -2.02 0.00 0.00 58.31 53.76 1ner n LYS 22 Cb 0.00 -0.90 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.65 2.37 -0.15 -0.35 1.43 -1.26 -4.99 118.68 113.09 1ner s LEU 23 Ca 0.26 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1ner s LEU 23 Cb 0.35 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.71 1ner s LEU 23 CO -0.06 0.04 0.38 -0.94 0.23 0.00 0.00 176.35 176.00 1ner s SER 24 N -2.29 -0.45 0.29 2.29 1.04 -1.26 -3.47 113.70 109.84 1ner s SER 24 Ca 0.12 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.37 1ner s SER 24 Cb -0.08 0.71 0.69 0.00 0.10 0.00 0.00 66.02 67.44 1ner s SER 24 CO 0.06 -0.18 1.64 -0.07 0.98 0.00 0.00 173.24 175.67 1ner h LEU 25 N 6.80 -0.06 -2.12 2.42 3.38 -1.98 1.21 115.31 124.96 1ner h LEU 25 Ca -0.35 0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1ner h LEU 25 Cb 1.18 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1ner h LEU 25 CO 0.30 -0.17 0.04 -1.28 0.09 0.00 0.00 178.44 177.42 1ner h SER 26 N 0.18 0.00 0.03 -0.43 0.87 -1.96 0.29 113.55 112.54 1ner h SER 26 Ca 0.54 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.06 1ner h SER 26 Cb 1.09 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.05 1ner h SER 26 CO -0.67 0.00 -0.20 0.00 -0.53 0.00 0.00 176.83 175.43 1ner h ALA 27 N 1.97 -0.02 -0.19 6.23 0.00 0.10 -2.86 119.26 124.49 1ner h ALA 27 Ca 0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1ner h ALA 27 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ner h ALA 27 CO -0.00 0.09 0.03 -0.07 0.00 0.00 0.00 179.25 179.30 1ner h LEU 28 N -0.84 0.24 0.61 0.00 3.38 -0.86 0.62 115.31 118.47 1ner h LEU 28 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ner h LEU 28 Cb 1.15 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1ner h LEU 28 CO 0.04 0.26 -0.29 -1.28 0.09 0.00 0.00 178.44 177.26 1ner h SER 29 N 0.26 -0.70 0.75 -0.43 0.87 -1.01 -3.17 113.55 110.13 1ner h SER 29 Ca 0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1ner h SER 29 Cb 0.13 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ner h SER 29 CO -0.00 -0.30 0.00 0.08 -0.53 0.00 0.00 176.83 176.08 1ner h ARG 30 N -1.20 0.00 -0.06 2.24 0.11 -1.39 -1.26 114.38 112.82 1ner h ARG 30 Ca -0.08 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1ner h ARG 30 Cb 0.64 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 1ner h ARG 30 CO 0.14 0.00 -0.25 1.96 0.10 0.00 0.00 179.97 181.92 1ner h GLN 31 N 0.00 0.10 -0.00 0.08 4.20 -0.84 -2.92 115.11 115.72 1ner h GLN 31 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ner h GLN 31 Cb 0.38 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ner h GLN 31 CO 0.00 0.35 -0.79 1.19 -0.67 0.00 0.00 178.83 178.91 1ner n PHE 32 N -4.20 0.00 0.00 2.96 3.01 -1.12 -4.97 117.46 113.14 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 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 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 1.42 1.72 3.17 1.37 0.00 -1.10 -5.10 105.19 106.67 1ner n GLY 33 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1ner n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ner s TYR 34 N -2.00 2.83 0.66 1.61 2.02 -0.49 -4.99 117.35 116.99 1ner s TYR 34 Ca 0.00 -1.45 -0.17 0.00 -0.37 0.00 0.00 57.07 55.08 1ner s TYR 34 Cb 0.00 -1.97 -0.12 0.00 -0.40 0.00 0.00 41.96 39.47 1ner s TYR 34 CO 0.00 -0.74 -0.04 0.00 -1.57 0.00 0.00 175.55 173.20 1ner n ALA 35 N 4.66 -3.00 0.29 3.71 0.00 -1.26 -2.96 120.51 121.95 1ner n ALA 35 Ca -0.20 -0.22 0.19 0.00 0.00 0.00 0.00 53.44 53.21 1ner n ALA 35 Cb 0.50 -1.50 0.97 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.27 0.00 -0.25 0.00 0.13 -1.89 -0.98 132.00 128.74 1ner h PRO 36 Ca -0.43 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.51 1ner h PRO 36 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1ner h PRO 36 CO 0.39 0.00 -0.59 1.79 -0.23 0.00 0.00 178.00 179.36 1ner h THR 37 N 0.00 1.28 0.21 1.56 1.35 -1.98 -2.34 112.91 112.98 1ner h THR 37 Ca 0.03 -1.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 1ner h THR 37 Cb 0.35 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1ner h THR 37 CO -0.00 0.57 -0.20 0.74 -0.25 0.00 0.00 175.52 176.38 1ner h THR 38 N 0.60 0.00 -0.85 6.82 2.02 -1.46 -0.38 112.91 119.65 1ner h THR 38 Ca -0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1ner h THR 38 Cb 1.20 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 1ner h THR 38 CO 0.13 0.00 0.41 0.25 0.37 0.00 0.00 175.52 176.68 1ner h LEU 39 N -0.41 0.44 0.22 2.58 5.85 -1.65 -1.71 115.31 120.63 1ner h LEU 39 Ca -0.03 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1ner h LEU 39 Cb 0.35 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1ner h LEU 39 CO -0.02 0.14 -0.22 0.00 -0.34 0.00 0.00 178.44 178.00 1ner h ALA 40 N 1.60 -0.93 0.00 1.25 0.00 -0.96 -0.09 119.26 120.13 1ner h ALA 40 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ner h ALA 40 Cb 0.78 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ner h ALA 40 CO -0.42 -0.94 0.07 -1.71 0.00 0.00 0.00 179.25 176.25 1ner n ASN 41 N -3.68 0.00 0.00 0.00 5.15 -0.19 -1.23 115.26 115.31 1ner n ASN 41 Ca -0.05 0.30 0.11 0.00 -0.60 0.00 0.00 54.58 54.34 1ner n ASN 41 Cb 0.20 -0.30 0.63 0.00 -0.53 0.00 0.00 39.78 39.77 1ner n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ner n ALA 42 N -1.28 2.28 0.10 5.20 0.00 -0.05 0.13 120.51 126.89 1ner n ALA 42 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1ner n ALA 42 Cb 0.07 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.29 -3.39 115.31 114.01 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 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ner h LEU 43 CO 0.00 0.46 -0.50 -0.62 0.09 0.00 0.00 178.44 177.86 1ner n GLU 44 N -3.03 2.74 -2.66 1.13 1.02 -1.05 -5.04 120.64 113.75 1ner n GLU 44 Ca -0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 1ner n GLU 44 Cb 0.75 -0.73 -0.05 0.00 -0.02 0.00 0.00 31.44 31.39 1ner n GLU 44 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ner s ARG 45 N -1.07 4.71 -0.53 3.49 3.52 0.12 -4.94 118.95 124.24 1ner s ARG 45 Ca 0.00 1.55 -0.27 0.00 -0.13 0.00 0.00 55.73 56.88 1ner s ARG 45 Cb 0.00 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1ner s ARG 45 CO 0.00 0.25 1.99 -1.01 -0.81 0.00 0.00 175.30 175.72 1ner s HIS 46 N -0.42 1.54 -0.45 5.12 3.76 -1.26 -4.73 115.29 118.85 1ner s HIS 46 Ca 0.46 0.94 0.03 0.00 -0.15 0.00 0.00 55.06 56.34 1ner s HIS 46 Cb -0.26 -3.97 0.24 0.00 1.11 0.00 0.00 32.58 29.70 1ner s HIS 46 CO 0.32 -2.51 0.97 1.87 -0.85 0.00 0.00 174.74 174.54 1ner n TRP 47 N 13.06 -2.59 0.19 1.40 -0.00 -1.26 -5.00 117.44 123.23 1ner n TRP 47 Ca 0.25 -1.39 0.10 0.00 -0.00 0.00 0.00 57.50 56.45 1ner n TRP 47 Cb 0.52 1.42 0.52 0.00 -0.00 0.00 0.00 31.31 33.77 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 3.93 0.00 0.00 5.87 0.11 -1.95 0.18 132.00 140.14 1ner h PRO 48 Ca -0.14 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.88 1ner h PRO 48 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ner h PRO 48 CO 0.14 0.00 -0.44 -0.22 -0.21 0.00 0.00 178.00 177.27 1ner h LYS 49 N 0.00 0.00 -0.01 1.05 1.63 -1.98 -2.84 116.57 114.41 1ner h LYS 49 Ca 0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 1ner h LYS 49 Cb 0.39 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1ner h LYS 49 CO 0.00 0.44 -0.71 0.78 -3.45 0.00 0.00 179.45 176.50 1ner h GLY 50 N 2.11 0.06 1.88 5.01 0.00 -1.35 -2.85 103.07 107.93 1ner h GLY 50 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1ner h GLY 50 CO 0.06 0.08 -0.51 0.83 0.00 0.00 0.00 176.54 177.00 1ner h GLU 51 N 0.03 0.13 -0.76 4.80 5.08 -1.59 -2.44 114.58 119.84 1ner h GLU 51 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1ner h GLU 51 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1ner h GLU 51 CO 0.10 0.61 0.39 1.96 -1.00 0.00 0.00 179.01 181.06 1ner h GLN 52 N 0.10 1.07 0.02 2.33 4.20 -1.34 -0.31 115.11 121.18 1ner h GLN 52 Ca 0.00 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1ner h GLN 52 Cb 0.93 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1ner h GLN 52 CO 0.07 0.81 -0.18 0.82 -0.67 0.00 0.00 178.83 179.68 1ner h ILE 53 N 1.07 0.58 0.01 2.54 2.04 -1.35 0.48 117.51 122.88 1ner h ILE 53 Ca 0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 1ner h ILE 53 Cb 0.07 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ner h ILE 53 CO -0.04 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.51 1ner h ILE 54 N -0.30 1.10 -0.53 -0.67 2.04 -1.38 -2.48 117.51 115.28 1ner h ILE 54 Ca 0.05 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1ner h ILE 54 Cb 0.36 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1ner h ILE 54 CO -0.15 0.08 0.35 0.00 0.00 0.00 0.00 178.15 178.43 1ner h ALA 55 N 0.83 1.74 -0.42 1.87 0.00 -0.80 0.03 119.26 122.52 1ner h ALA 55 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ner h ALA 55 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ner h ALA 55 CO 0.00 0.20 0.28 -0.97 0.00 0.00 0.00 179.25 178.76 1ner h ASN 56 N 0.61 0.30 -0.66 0.00 -0.73 0.42 -0.49 115.58 115.02 1ner h ASN 56 Ca 0.21 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1ner h ASN 56 Cb 0.10 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 1ner h ASN 56 CO -0.06 0.20 0.32 0.00 -0.37 0.00 0.00 177.43 177.52 1ner h ALA 57 N 1.77 0.85 -0.39 1.57 0.00 -0.80 -1.45 119.26 120.82 1ner h ALA 57 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ner h ALA 57 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ner h ALA 57 CO -0.04 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1ner n LEU 58 N -4.47 2.16 -1.84 0.00 4.77 -0.56 -4.87 117.00 112.18 1ner n LEU 58 Ca 0.05 -1.06 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 1ner n LEU 58 Cb 0.13 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1ner n LEU 58 CO 0.38 0.53 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.21 1ner n GLU 59 N 0.68 -1.67 -0.95 3.23 -0.58 -0.30 -4.92 120.64 116.13 1ner n GLU 59 Ca 0.14 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 1ner n GLU 59 Cb 0.35 -5.14 0.00 0.00 -0.57 0.00 0.00 31.44 26.08 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 -2.57 0.00 -4.22 2.62 5.66 -0.72 -4.98 114.28 110.06 1ner n THR 60 Ca -0.15 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.55 1ner n THR 60 Cb 0.52 -0.47 -0.09 0.00 -1.55 0.00 0.00 70.33 68.75 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 -0.51 2.50 0.40 1.09 3.01 -1.26 -4.36 119.74 120.61 1ner s LYS 61 Ca 0.00 -0.82 0.08 0.00 -1.01 0.00 0.00 55.97 54.22 1ner s LYS 61 Cb 0.00 -2.51 0.87 0.00 -1.01 0.00 0.00 37.83 35.18 1ner s LYS 61 CO 0.00 0.56 2.02 -1.00 0.51 0.00 0.00 175.35 177.43 1ner h PRO 62 N 3.76 0.56 0.00 -1.68 0.13 -1.92 -0.54 132.00 132.31 1ner h PRO 62 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ner h PRO 62 Cb 1.17 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ner h PRO 62 CO 0.57 0.37 0.02 -0.85 -0.23 0.00 0.00 178.00 177.88 1ner n GLU 63 N -4.47 0.00 -0.04 0.86 0.28 -1.26 -0.79 120.64 115.22 1ner n GLU 63 Ca 0.06 0.15 -0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1ner n GLU 63 Cb 0.17 -1.52 -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 -1.12 1.59 0.08 3.84 0.31 -0.21 -3.58 118.33 119.24 1ner n VAL 64 Ca 0.00 -0.78 0.07 0.00 -0.01 0.00 0.00 64.34 63.62 1ner n VAL 64 Cb 0.02 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.22 -2.08 2.52 2.04 -1.11 -3.40 117.51 115.71 1ner h ILE 65 Ca -0.36 -1.43 -0.56 0.00 1.00 0.00 0.00 64.86 63.50 1ner h ILE 65 Cb 2.06 1.76 -0.40 0.00 -0.74 0.00 0.00 36.82 39.49 1ner h ILE 65 CO 0.07 0.13 -0.93 0.79 0.00 0.00 0.00 178.15 178.20 1ner n TRP 66 N -2.79 1.28 -0.04 1.37 8.01 -0.93 -3.13 117.44 121.20 1ner n TRP 66 Ca -0.04 -3.81 -0.15 0.00 -1.31 0.00 0.00 57.50 52.19 1ner n TRP 66 Cb 0.67 -0.43 -0.08 0.00 -2.01 0.00 0.00 31.31 29.46 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 3.80 0.46 0.00 -0.99 0.13 -1.78 -3.14 132.00 130.47 1ner h PRO 67 Ca 0.12 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1ner h PRO 67 Cb 0.80 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ner h PRO 67 CO 0.61 0.96 0.00 0.45 -0.23 0.00 0.00 178.00 179.78 1ner n SER 68 N -4.34 0.00 -0.04 1.44 2.88 -1.26 -2.00 113.62 110.30 1ner n SER 68 Ca -0.07 -0.18 0.04 0.00 -1.33 0.00 0.00 58.87 57.33 1ner n SER 68 Cb 0.52 -0.12 -0.16 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.12 0.70 -3.94 -1.46 5.12 -1.19 -4.97 116.66 109.80 1ner n ARG 69 Ca 0.08 -0.13 -0.21 0.00 -1.93 0.00 0.00 57.85 55.65 1ner n ARG 69 Cb 0.06 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.84 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 -3.13 3.06 0.29 -1.55 2.02 -0.85 -5.02 117.35 112.18 1ner s TYR 70 Ca -0.08 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1ner s TYR 70 Cb 0.11 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1ner s TYR 70 CO 0.84 0.35 0.00 1.04 -1.57 0.00 0.00 175.55 176.21 1ner n GLN 71 N -1.30 0.00 -3.20 -0.62 6.02 -1.26 -4.94 117.38 112.08 1ner n GLN 71 Ca -0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.71 1ner n GLN 71 Cb 0.59 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.87 1ner n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ner n ALA 72 N -3.19 -2.61 -2.30 -1.58 0.00 -1.26 -4.73 120.51 104.83 1ner n ALA 72 Ca 0.00 0.65 -0.34 0.00 0.00 0.00 0.00 53.44 53.75 1ner n ALA 72 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 19.45 16.72 1ner n ALA 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ner s GLY 73 N -1.88 0.76 0.00 0.00 0.00 -1.26 -5.33 107.32 99.60 1ner s GLY 73 Ca 0.29 -2.06 0.27 0.00 0.00 0.00 0.00 44.72 43.22 1ner s GLY 73 CO 0.78 3.11 1.57 -2.21 0.00 0.00 0.00 173.10 176.35