#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nti n GLN 2 N 0.00 0.00 -1.39 4.33 10.64 -1.26 -4.78 117.38 124.92 1nti n GLN 2 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 1nti n GLN 2 Cb 0.00 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 29.48 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nti n ALA 3 N -3.00 0.36 0.28 2.61 0.00 -1.26 -4.63 120.51 114.87 1nti n ALA 3 Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 53.44 53.42 1nti n ALA 3 Cb 0.00 -2.25 0.78 0.00 0.00 0.00 0.00 19.45 17.98 1nti n ALA 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1nti h GLU 4 N -0.23 0.00 0.09 0.00 9.09 -1.98 0.85 114.58 122.40 1nti h GLU 4 Ca -0.48 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.92 1nti h GLU 4 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1nti h GLU 4 CO 0.49 0.00 -0.04 0.35 0.05 0.00 0.00 179.01 179.86 1nti h PHE 5 N 0.00 -0.11 -0.43 2.06 3.04 -1.92 0.24 116.94 119.82 1nti h PHE 5 Ca 0.05 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1nti h PHE 5 Cb 0.81 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 1nti h PHE 5 CO 0.00 0.35 0.28 -0.44 -2.02 0.00 0.00 178.31 176.48 1nti h ASP 6 N -0.95 0.50 -0.33 0.41 3.32 -1.38 0.34 116.42 118.34 1nti h ASP 6 Ca -0.01 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1nti h ASP 6 Cb 0.51 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1nti h ASP 6 CO 0.02 0.38 0.01 0.50 -1.72 0.00 0.00 179.24 178.42 1nti h LYS 7 N 0.58 0.10 0.06 3.56 3.64 -0.99 0.43 116.57 123.94 1nti h LYS 7 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1nti h LYS 7 Cb -0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1nti h LYS 7 CO -0.03 0.06 -0.18 0.00 -2.27 0.00 0.00 179.45 177.03 1nti h ALA 8 N 1.28 -0.26 -0.89 5.00 0.00 0.95 0.14 119.26 125.47 1nti h ALA 8 Ca 0.16 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1nti h ALA 8 Cb 0.21 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1nti h ALA 8 CO -0.26 -0.69 0.58 0.00 0.00 0.00 0.00 179.25 178.88 1nti h ALA 9 N 0.55 1.56 -0.06 0.00 0.00 0.41 0.36 119.26 122.09 1nti h ALA 9 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nti h ALA 9 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nti h ALA 9 CO -0.13 0.28 -0.03 1.49 0.00 0.00 0.00 179.25 180.86 1nti h GLU 10 N 0.96 0.13 -0.32 0.00 4.81 0.34 -1.53 114.58 118.96 1nti h GLU 10 Ca 0.39 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 1nti h GLU 10 Cb 0.27 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1nti h GLU 10 CO -0.15 0.52 -0.17 0.93 -0.73 0.00 0.00 179.01 179.40 1nti h GLU 11 N -0.27 0.68 -0.24 1.92 5.08 -0.26 -3.12 114.58 118.36 1nti h GLU 11 Ca 0.01 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1nti h GLU 11 Cb 0.48 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1nti h GLU 11 CO 0.01 0.90 -0.07 -0.24 -1.00 0.00 0.00 179.01 178.61 1nti h VAL 12 N 0.44 0.73 0.00 3.13 3.04 -0.27 0.30 116.25 123.62 1nti h VAL 12 Ca 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1nti h VAL 12 Cb 0.71 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1nti h VAL 12 CO 0.05 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.90 1nti n LYS 13 N -5.24 0.00 -0.46 4.17 5.02 -0.58 -0.57 118.16 120.50 1nti n LYS 13 Ca -0.01 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1nti n LYS 13 Cb 0.16 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1nti n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nti n HIS 14 N -0.95 0.00 -1.68 2.13 8.25 1.00 -5.10 115.22 118.88 1nti n HIS 14 Ca 0.00 -0.41 -0.39 0.00 -0.26 0.00 0.00 57.72 56.66 1nti n HIS 14 Cb 0.00 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.05 1nti n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nti n LEU 15 N -0.44 4.32 0.24 2.41 4.77 0.26 -4.81 117.00 123.76 1nti n LEU 15 Ca 0.06 0.96 0.15 0.00 -0.03 0.00 0.00 56.01 57.15 1nti n LEU 15 Cb 0.72 -1.48 0.66 0.00 -2.33 0.00 0.00 43.42 40.99 1nti n LEU 15 CO -0.00 -1.09 1.13 0.50 -1.33 0.00 0.00 177.39 176.60 1nti h LYS 16 N 1.29 0.00 0.00 3.23 3.64 -1.23 -3.43 116.57 120.08 1nti h LYS 16 Ca -0.49 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.66 1nti h LYS 16 Cb 1.32 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 1nti h LYS 16 CO 0.56 0.00 -0.10 2.41 -2.27 0.00 0.00 179.45 180.04 1nti n THR 17 N -3.05 0.00 -3.62 1.00 -1.04 -1.26 -5.08 114.28 101.22 1nti n THR 17 Ca 0.02 -1.55 -0.36 0.00 -2.04 0.00 0.00 64.05 60.12 1nti n THR 17 Cb 0.60 0.98 -0.08 0.00 -1.82 0.00 0.00 70.33 70.00 1nti n THR 17 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1nti s LYS 18 N -2.67 4.15 1.12 -2.82 2.20 -1.26 -5.02 119.74 115.44 1nti s LYS 18 Ca 0.25 -0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.58 1nti s LYS 18 Cb -0.01 -3.49 0.25 0.00 -1.51 0.00 0.00 37.83 33.07 1nti s LYS 18 CO 0.18 0.15 1.08 -2.14 -0.36 0.00 0.00 175.35 174.25 1nti s PRO 19 N 0.79 -0.53 0.69 4.03 0.02 -1.26 -4.96 135.00 133.77 1nti s PRO 19 Ca 0.11 0.35 -0.16 0.00 0.02 0.00 0.00 61.00 61.31 1nti s PRO 19 Cb -0.13 -1.64 0.01 0.00 0.02 0.00 0.00 34.50 32.77 1nti s PRO 19 CO 0.03 -3.34 1.22 0.00 -0.33 0.00 0.00 177.00 174.58 1nti s ALA 20 N -2.86 2.26 0.41 -1.55 0.00 -1.26 -4.63 121.76 114.13 1nti s ALA 20 Ca 0.68 0.96 0.09 0.00 0.00 0.00 0.00 51.96 53.69 1nti s ALA 20 Cb -0.17 -3.48 0.89 0.00 0.00 0.00 0.00 23.12 20.36 1nti s ALA 20 CO 0.58 -1.67 2.03 -0.44 0.00 0.00 0.00 175.76 176.26 1nti h ASP 21 N 0.10 0.46 -0.22 0.00 3.32 -1.99 0.33 116.42 118.42 1nti h ASP 21 Ca -0.49 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1nti h ASP 21 Cb 1.30 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1nti h ASP 21 CO 0.51 0.32 0.09 -0.33 -1.72 0.00 0.00 179.24 178.11 1nti h GLU 22 N 0.54 0.41 0.08 3.56 3.07 -1.98 0.35 114.58 120.61 1nti h GLU 22 Ca 0.20 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1nti h GLU 22 Cb 0.12 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1nti h GLU 22 CO -0.05 0.36 -0.04 0.93 -1.40 0.00 0.00 179.01 178.81 1nti h GLU 23 N 0.41 -0.11 -0.71 2.33 5.08 -0.81 0.35 114.58 121.12 1nti h GLU 23 Ca 0.10 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.61 1nti h GLU 23 Cb 0.13 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.27 1nti h GLU 23 CO -0.01 0.42 -0.22 0.52 -1.00 0.00 0.00 179.01 178.72 1nti h MET 24 N -0.72 -0.03 -0.30 2.33 2.86 -0.20 0.29 114.93 119.14 1nti h MET 24 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1nti h MET 24 Cb 0.57 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1nti h MET 24 CO 0.02 -0.02 0.20 -0.07 1.06 0.00 0.00 176.91 178.09 1nti h LEU 25 N -0.03 0.35 -0.01 1.22 3.38 -0.26 0.20 115.31 120.15 1nti h LEU 25 Ca 0.33 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.30 1nti h LEU 25 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1nti h LEU 25 CO -0.75 0.26 -0.10 0.15 0.09 0.00 0.00 178.44 178.09 1nti h PHE 26 N 0.41 -0.25 0.00 1.13 3.04 0.27 0.25 116.94 121.79 1nti h PHE 26 Ca 0.11 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1nti h PHE 26 Cb -0.04 0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1nti h PHE 26 CO -0.05 -0.15 0.00 -0.89 -2.02 0.00 0.00 178.31 175.19 1nti n ILE 27 N -5.23 0.00 -0.13 1.41 -0.00 0.69 -0.30 119.36 115.80 1nti n ILE 27 Ca -0.05 1.04 -0.02 0.00 -0.00 0.00 0.00 62.75 63.72 1nti n ILE 27 Cb 0.15 -1.92 -0.01 0.00 -0.00 0.00 0.00 39.64 37.86 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nti n TYR 28 N -0.74 -0.07 0.49 1.39 9.36 0.66 0.22 117.16 128.47 1nti n TYR 28 Ca 0.00 0.41 -0.20 0.00 3.32 0.00 0.00 57.90 61.43 1nti n TYR 28 Cb 0.00 -0.57 -0.09 0.00 -0.63 0.00 0.00 39.34 38.04 1nti n TYR 28 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1nti h SER 29 N 0.00 -1.05 -0.37 2.98 4.64 -0.32 -1.06 113.55 118.37 1nti h SER 29 Ca 0.08 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1nti h SER 29 Cb 0.17 0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1nti h SER 29 CO -0.32 -0.72 0.07 0.45 -0.87 0.00 0.00 176.83 175.44 1nti h HIS 30 N -1.29 0.72 -0.34 4.77 3.86 0.10 -0.25 115.15 122.73 1nti h HIS 30 Ca -0.13 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1nti h HIS 30 Cb 0.95 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 1nti h HIS 30 CO -0.00 0.64 0.20 -0.92 0.86 0.00 0.00 177.93 178.71 1nti h TYR 31 N 0.67 0.45 0.62 2.45 5.03 -0.20 0.40 116.97 126.38 1nti h TYR 31 Ca 0.14 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 1nti h TYR 31 Cb 0.32 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.46 1nti h TYR 31 CO 0.02 0.33 -0.30 0.87 -1.32 0.00 0.00 178.16 177.76 1nti h LYS 32 N 0.43 -0.80 -0.78 1.82 1.79 -0.58 0.95 116.57 119.39 1nti h LYS 32 Ca 0.12 0.05 0.18 0.00 -2.18 0.00 0.00 60.65 58.82 1nti h LYS 32 Cb 0.02 0.18 -0.14 0.00 -1.58 0.00 0.00 32.23 30.71 1nti h LYS 32 CO -0.02 -0.49 -0.02 0.37 -1.08 0.00 0.00 179.45 178.21 1nti h GLN 33 N -1.01 0.08 -0.51 3.15 5.75 -0.53 0.33 115.11 122.36 1nti h GLN 33 Ca -0.09 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.31 1nti h GLN 33 Cb 0.69 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1nti h GLN 33 CO 0.14 0.05 -0.07 0.00 -2.65 0.00 0.00 178.83 176.30 1nti h ALA 34 N 1.75 0.70 0.00 3.38 0.00 -0.16 -2.59 119.26 122.35 1nti h ALA 34 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nti h ALA 34 Cb 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nti h ALA 34 CO -0.71 0.58 -0.30 0.25 0.00 0.00 0.00 179.25 179.07 1nti n THR 35 N -4.22 0.81 0.03 0.00 -2.24 0.32 -4.70 114.28 104.27 1nti n THR 35 Ca 0.01 0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.94 1nti n THR 35 Cb 0.37 -2.01 -0.13 0.00 -2.10 0.00 0.00 70.33 66.46 1nti n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nti h VAL 36 N -0.57 1.47 0.00 2.28 2.07 -0.68 -3.51 116.25 117.31 1nti h VAL 36 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1nti h VAL 36 Cb 0.30 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1nti h VAL 36 CO 0.00 0.67 0.00 0.61 0.02 0.00 0.00 177.57 178.87 1nti n GLY 37 N 1.40 0.24 3.04 2.17 0.00 0.47 -4.96 105.19 107.55 1nti n GLY 37 Ca -0.12 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 1nti n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nti n ASP 38 N 0.00 -3.50 -4.68 1.61 9.92 -1.26 -2.74 116.55 115.90 1nti n ASP 38 Ca 0.00 -0.59 -0.39 0.00 -0.53 0.00 0.00 54.79 53.27 1nti n ASP 38 Cb 0.00 -0.84 -0.06 0.00 -0.64 0.00 0.00 41.12 39.58 1nti n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1nti s ILE 39 N -2.06 5.07 0.00 0.53 2.07 -1.26 -4.83 121.20 120.71 1nti s ILE 39 Ca 0.45 1.12 0.00 0.00 -1.41 0.00 0.00 60.65 60.82 1nti s ILE 39 Cb -0.08 -3.91 0.00 0.00 0.13 0.00 0.00 42.46 38.60 1nti s ILE 39 CO 0.38 0.18 0.54 -0.46 -1.91 0.00 0.00 174.94 173.67 1nti n ASN 40 N 4.61 0.43 -4.73 4.50 0.23 -1.26 -5.01 115.26 114.04 1nti n ASN 40 Ca -0.03 -1.20 -0.24 0.00 -0.53 0.00 0.00 54.58 52.58 1nti n ASN 40 Cb 0.50 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.13 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1nti s THR 41 N -0.20 2.49 -0.81 5.53 -4.23 -1.26 -5.04 115.64 112.12 1nti s THR 41 Ca 0.00 -1.72 -0.23 0.00 -1.18 0.00 0.00 61.69 58.56 1nti s THR 41 Cb 0.00 -2.97 -0.19 0.00 1.34 0.00 0.00 72.50 70.68 1nti s THR 41 CO 0.00 -0.06 2.43 -0.62 -0.54 0.00 0.00 174.62 175.83 1nti n GLU 42 N -1.19 0.42 -1.56 3.99 4.71 -1.26 -4.93 120.64 120.82 1nti n GLU 42 Ca -0.02 -0.21 -0.51 0.00 -0.01 0.00 0.00 57.16 56.41 1nti n GLU 42 Cb 0.64 -2.46 -0.05 0.00 -1.01 0.00 0.00 31.44 28.56 1nti n GLU 42 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1nti n ARG 43 N 8.04 0.95 0.00 3.49 0.63 -1.26 -4.66 116.66 123.84 1nti n ARG 43 Ca 0.54 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1nti n ARG 43 Cb 0.29 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.35 1nti n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nti n PRO 44 N 1.91 0.00 0.00 -0.14 -0.01 -1.26 -4.74 135.00 130.76 1nti n PRO 44 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.66 1nti n PRO 44 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.70 1nti n PRO 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1nti n GLY 45 N -0.92 1.89 1.41 -1.23 0.00 -1.26 -4.54 105.19 100.54 1nti n GLY 45 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1nti n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nti n MET 46 N 0.00 1.41 0.00 1.61 2.81 -1.26 -4.94 117.12 116.75 1nti n MET 46 Ca 0.00 -0.99 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 1nti n MET 46 Cb 0.00 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1nti n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nti n LEU 47 N -0.03 0.00 0.00 4.03 4.77 -1.26 -4.57 117.00 119.94 1nti n LEU 47 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1nti n LEU 47 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1nti n LEU 47 CO 0.20 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.59 1nti n ASP 48 N 0.00 0.00 0.00 -1.43 2.03 -1.26 -5.07 116.55 110.82 1nti n ASP 48 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nti n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1nti n ASP 48 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1nti n PHE 49 N 0.00 0.00 0.00 -0.67 1.16 -1.26 -3.97 117.46 112.72 1nti n PHE 49 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1nti n PHE 49 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1nti n PHE 49 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 1nti n LYS 50 N 0.00 0.00 0.05 3.97 2.85 -1.26 -0.98 118.16 122.79 1nti n LYS 50 Ca 0.00 0.01 -0.06 0.00 -1.05 0.00 0.00 58.31 57.22 1nti n LYS 50 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 1nti n LYS 50 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1nti h GLY 51 N 0.00 -0.24 -0.49 2.58 0.00 -2.00 -0.62 103.07 102.30 1nti h GLY 51 Ca 0.00 0.09 0.26 0.00 0.00 0.00 0.00 47.33 47.68 1nti h GLY 51 CO 0.00 -0.09 0.33 1.70 0.00 0.00 0.00 176.54 178.48 1nti h LYS 52 N -1.03 0.23 0.59 4.80 3.64 -1.19 0.09 116.57 123.70 1nti h LYS 52 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1nti h LYS 52 Cb 0.30 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1nti h LYS 52 CO 0.04 0.15 -0.28 0.00 -2.27 0.00 0.00 179.45 177.09 1nti h ALA 53 N 1.81 -1.21 -0.91 5.00 0.00 -1.46 0.03 119.26 122.51 1nti h ALA 53 Ca 0.61 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.51 1nti h ALA 53 Cb 1.29 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 19.22 1nti h ALA 53 CO -0.65 -1.16 -0.30 0.87 0.00 0.00 0.00 179.25 178.02 1nti h LYS 54 N -0.79 -0.02 0.86 0.00 1.57 0.58 0.34 116.57 119.11 1nti h LYS 54 Ca -0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1nti h LYS 54 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1nti h LYS 54 CO 0.13 -0.01 -0.41 2.35 -0.57 0.00 0.00 179.45 180.94 1nti h TRP 55 N -0.02 -1.07 -0.69 -1.35 7.01 -0.96 -0.15 115.95 118.72 1nti h TRP 55 Ca 0.39 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.48 1nti h TRP 55 Cb 0.64 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 27.97 1nti h TRP 55 CO -0.76 -0.66 0.28 -0.44 -2.79 0.00 0.00 178.44 174.06 1nti h ASP 56 N -1.25 0.28 -0.77 2.65 5.19 -0.57 0.34 116.42 122.29 1nti h ASP 56 Ca -0.12 0.09 0.12 0.00 -0.62 0.00 0.00 57.03 56.50 1nti h ASP 56 Cb 0.88 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 1nti h ASP 56 CO 0.19 0.14 0.51 0.00 -3.12 0.00 0.00 179.24 176.96 1nti h ALA 57 N 1.48 1.91 0.16 3.45 0.00 -0.10 0.37 119.26 126.54 1nti h ALA 57 Ca 0.36 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 1nti h ALA 57 Cb 0.49 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1nti h ALA 57 CO -0.35 -0.09 -1.08 2.35 0.00 0.00 0.00 179.25 180.08 1nti h TRP 58 N 0.59 0.62 -0.73 0.00 7.01 0.12 -3.26 115.95 120.30 1nti h TRP 58 Ca 0.37 -0.45 0.15 0.00 2.11 0.00 0.00 58.89 61.07 1nti h TRP 58 Cb 0.62 -0.02 -0.10 0.00 -2.10 0.00 0.00 29.16 27.55 1nti h TRP 58 CO -0.00 1.42 0.21 -0.97 -2.79 0.00 0.00 178.44 176.31 1nti h ASN 59 N -0.25 0.10 -0.57 2.65 -1.24 0.76 0.45 115.58 117.49 1nti h ASN 59 Ca -0.20 0.13 0.16 0.00 0.71 0.00 0.00 56.30 57.11 1nti h ASN 59 Cb 1.78 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 40.97 1nti h ASN 59 CO 0.16 0.01 0.80 -0.08 -1.29 0.00 0.00 177.43 177.02 1nti h GLU 60 N 0.32 0.00 0.00 6.67 4.57 -0.35 0.56 114.58 126.35 1nti h GLU 60 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1nti h GLU 60 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1nti h GLU 60 CO -0.47 0.00 -1.91 1.28 -1.18 0.00 0.00 179.01 176.73 1nti n LEU 61 N -3.30 0.01 -4.52 1.64 4.77 0.15 -4.98 117.00 110.78 1nti n LEU 61 Ca 0.12 -0.01 -0.54 0.00 -0.03 0.00 0.00 56.01 55.55 1nti n LEU 61 Cb 0.99 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 1nti n LEU 61 CO 0.21 0.00 0.57 1.17 -1.33 0.00 0.00 177.39 178.02 1nti n LYS 62 N -2.19 0.44 0.00 3.23 4.81 0.20 -0.11 118.16 124.53 1nti n LYS 62 Ca -0.04 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1nti n LYS 62 Cb 0.52 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1nti n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nti n GLY 63 N 1.86 2.56 3.73 3.14 0.00 -1.26 -4.97 105.19 110.25 1nti n GLY 63 Ca 0.18 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1nti n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nti s THR 64 N -1.52 2.61 0.02 2.61 2.01 0.84 -4.99 115.64 117.21 1nti s THR 64 Ca 0.00 0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.25 1nti s THR 64 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1nti s THR 64 CO 0.00 -0.18 0.22 -0.55 -0.69 0.00 0.00 174.62 173.43 1nti s SER 65 N -2.31 6.41 0.13 3.53 0.15 -1.26 -4.71 113.70 115.63 1nti s SER 65 Ca 0.71 0.40 -0.19 0.00 0.70 0.00 0.00 55.95 57.57 1nti s SER 65 Cb -0.25 -2.02 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1nti s SER 65 CO 0.46 0.23 1.08 1.17 1.20 0.00 0.00 173.24 177.38 1nti n LYS 66 N 0.79 -0.27 0.03 5.44 4.81 -1.26 -1.66 118.16 126.04 1nti n LYS 66 Ca -0.09 1.07 -0.10 0.00 -0.87 0.00 0.00 58.31 58.31 1nti n LYS 66 Cb 0.52 -1.57 -0.04 0.00 0.02 0.00 0.00 35.03 33.96 1nti n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1nti h GLU 67 N 0.00 -0.27 -0.34 1.64 4.39 -1.91 0.23 114.58 118.30 1nti h GLU 67 Ca 0.15 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1nti h GLU 67 Cb 0.32 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1nti h GLU 67 CO -0.67 -0.18 0.17 -0.44 -1.16 0.00 0.00 179.01 176.73 1nti h ASP 68 N -0.28 0.25 -0.34 1.42 5.19 -1.73 0.26 116.42 121.19 1nti h ASP 68 Ca 0.08 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1nti h ASP 68 Cb 0.40 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 1nti h ASP 68 CO -0.23 0.19 0.07 0.00 -3.12 0.00 0.00 179.24 176.14 1nti h ALA 69 N 1.18 0.36 0.43 3.45 0.00 -1.13 0.21 119.26 123.75 1nti h ALA 69 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nti h ALA 69 Cb 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nti h ALA 69 CO -0.10 -0.34 -0.49 0.52 0.00 0.00 0.00 179.25 178.85 1nti h MET 70 N 0.18 -0.89 -0.40 0.00 2.86 0.70 0.29 114.93 117.67 1nti h MET 70 Ca 0.16 0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1nti h MET 70 Cb 0.18 0.20 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 1nti h MET 70 CO -0.21 -0.59 -0.52 0.87 1.06 0.00 0.00 176.91 177.52 1nti h LYS 71 N -0.92 -0.34 -0.49 1.72 1.57 -0.10 0.27 116.57 118.28 1nti h LYS 71 Ca -0.05 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1nti h LYS 71 Cb 0.82 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1nti h LYS 71 CO -0.09 -0.23 0.04 0.00 -0.57 0.00 0.00 179.45 178.60 1nti h ALA 72 N -0.13 0.50 0.38 3.86 0.00 -0.48 0.18 119.26 123.58 1nti h ALA 72 Ca 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1nti h ALA 72 Cb 0.54 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1nti h ALA 72 CO -0.56 -0.36 -0.18 -0.92 0.00 0.00 0.00 179.25 177.23 1nti h TYR 73 N 0.16 -0.47 -0.41 0.00 5.03 0.53 0.30 116.97 122.12 1nti h TYR 73 Ca 0.25 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.61 1nti h TYR 73 Cb 0.36 0.16 -0.09 0.00 1.55 0.00 0.00 36.73 38.71 1nti h TYR 73 CO -0.28 -0.28 -0.48 0.82 -1.32 0.00 0.00 178.16 176.63 1nti h ILE 74 N -0.53 0.07 0.06 1.81 2.04 0.18 0.19 117.51 121.32 1nti h ILE 74 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1nti h ILE 74 Cb 0.40 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1nti h ILE 74 CO 0.09 0.00 -0.28 0.44 0.00 0.00 0.00 178.15 178.40 1nti h ASP 75 N -0.36 -0.81 -0.82 1.72 3.32 -0.69 0.27 116.42 119.05 1nti h ASP 75 Ca 0.11 0.10 0.19 0.00 0.02 0.00 0.00 57.03 57.46 1nti h ASP 75 Cb 0.59 0.32 -0.15 0.00 0.22 0.00 0.00 39.33 40.32 1nti h ASP 75 CO -0.58 -0.36 -0.01 0.50 -1.72 0.00 0.00 179.24 177.07 1nti h LYS 76 N -0.46 0.08 -0.02 3.56 1.63 0.11 0.35 116.57 121.81 1nti h LYS 76 Ca 0.05 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1nti h LYS 76 Cb 0.52 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1nti h LYS 76 CO -0.20 0.05 -0.01 0.28 -3.45 0.00 0.00 179.45 176.12 1nti h VAL 77 N 0.08 1.34 -0.89 2.00 2.07 0.04 0.87 116.25 121.76 1nti h VAL 77 Ca 0.46 -1.04 0.21 0.00 0.82 0.00 0.00 66.70 67.14 1nti h VAL 77 Cb 0.83 2.01 -0.12 0.00 -1.52 0.00 0.00 31.29 32.48 1nti h VAL 77 CO -0.74 0.28 0.40 -0.08 0.02 0.00 0.00 177.57 177.44 1nti h GLU 78 N -0.38 0.41 0.43 1.57 4.57 0.25 0.53 114.58 121.96 1nti h GLU 78 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1nti h GLU 78 Cb 0.46 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1nti h GLU 78 CO 0.00 0.27 -0.20 0.93 -1.18 0.00 0.00 179.01 178.83 1nti h GLU 79 N 0.43 -0.55 -1.17 1.92 4.39 -0.09 0.37 114.58 119.88 1nti h GLU 79 Ca 0.55 0.04 0.34 0.00 0.34 0.00 0.00 59.36 60.62 1nti h GLU 79 Cb 1.01 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 1nti h GLU 79 CO -0.51 -0.37 0.99 -0.07 -1.16 0.00 0.00 179.01 177.89 1nti h LEU 80 N -0.64 0.00 0.16 1.33 3.38 0.47 0.53 115.31 120.54 1nti h LEU 80 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1nti h LEU 80 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nti h LEU 80 CO 0.10 0.00 -0.08 0.50 0.09 0.00 0.00 178.44 179.05 1nti h LYS 81 N 0.00 -0.21 -0.47 1.13 3.64 0.31 0.40 116.57 121.37 1nti h LYS 81 Ca 0.56 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 60.03 1nti h LYS 81 Cb 2.52 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 34.32 1nti h LYS 81 CO -0.01 0.19 0.08 0.87 -2.27 0.00 0.00 179.45 178.31 1nti h LYS 82 N -0.92 0.21 0.34 1.90 1.79 0.21 0.27 116.57 120.36 1nti h LYS 82 Ca -0.02 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1nti h LYS 82 Cb 0.49 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1nti h LYS 82 CO 0.04 0.14 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.16 1nti h LYS 83 N 0.21 -0.44 0.00 3.15 3.64 -0.64 -3.40 116.57 119.11 1nti h LYS 83 Ca 0.24 0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 1nti h LYS 83 Cb 0.32 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1nti h LYS 83 CO -0.32 -0.18 -1.89 0.66 -2.27 0.00 0.00 179.45 175.45 1nti n TYR 84 N -5.21 0.00 -3.25 1.91 4.01 0.14 -5.06 117.16 109.69 1nti n TYR 84 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1nti n TYR 84 Cb 0.25 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 1nti n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nti n GLY 85 N 2.08 0.37 0.92 2.72 0.00 0.95 -4.12 105.19 108.10 1nti n GLY 85 Ca -0.19 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.16 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83