#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 3.10 -0.39 4.33 10.64 -1.26 -4.70 117.38 129.11 1nti n GLN 2 Ca 0.00 -2.65 -0.03 0.00 -1.83 0.00 0.00 57.00 52.49 1nti n GLN 2 Cb 0.00 -1.64 0.01 0.00 -0.86 0.00 0.00 30.24 27.75 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nti h ALA 3 N 3.75 0.02 0.00 2.61 0.00 -2.04 0.56 119.26 124.16 1nti h ALA 3 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nti h ALA 3 Cb 1.12 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 1nti h ALA 3 CO 0.09 -0.69 -0.00 0.93 0.00 0.00 0.00 179.25 179.57 1nti h GLU 4 N -0.00 0.00 0.00 0.00 4.39 -1.98 0.35 114.58 117.34 1nti h GLU 4 Ca 0.31 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1nti h GLU 4 Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1nti h GLU 4 CO -0.98 0.00 -0.13 0.35 -1.16 0.00 0.00 179.01 177.09 1nti h PHE 5 N 0.00 0.00 -0.45 4.33 3.57 -0.25 0.13 116.94 124.27 1nti h PHE 5 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1nti h PHE 5 Cb 0.04 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1nti h PHE 5 CO 0.00 0.51 0.07 -0.44 -2.23 0.00 0.00 178.31 176.23 1nti h ASP 6 N -1.00 -0.04 -0.36 0.41 3.32 -0.93 0.31 116.42 118.13 1nti h ASP 6 Ca -0.03 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1nti h ASP 6 Cb 0.54 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.13 1nti h ASP 6 CO -0.02 0.01 -0.36 0.50 -1.72 0.00 0.00 179.24 177.66 1nti h LYS 7 N 0.20 -0.29 -0.38 3.56 3.64 -0.35 0.44 116.57 123.39 1nti h LYS 7 Ca 0.22 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1nti h LYS 7 Cb 0.29 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1nti h LYS 7 CO -0.31 -0.19 -0.02 0.00 -2.27 0.00 0.00 179.45 176.66 1nti h ALA 8 N 0.59 0.33 -0.14 5.00 0.00 0.21 0.46 119.26 125.71 1nti h ALA 8 Ca 0.15 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1nti h ALA 8 Cb 0.56 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1nti h ALA 8 CO -0.53 -0.41 0.03 0.00 0.00 0.00 0.00 179.25 178.34 1nti h ALA 9 N 1.34 0.14 -0.28 0.00 0.00 0.11 0.64 119.26 121.21 1nti h ALA 9 Ca 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nti h ALA 9 Cb 0.27 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nti h ALA 9 CO -0.33 -0.42 0.09 0.93 0.00 0.00 0.00 179.25 179.52 1nti h GLU 10 N 0.09 0.44 0.12 0.00 5.08 0.07 -0.88 114.58 119.49 1nti h GLU 10 Ca 0.06 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1nti h GLU 10 Cb 0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1nti h GLU 10 CO -0.08 0.50 -0.28 0.93 -1.00 0.00 0.00 179.01 179.08 1nti h GLU 11 N 0.29 -0.47 -0.03 2.33 4.39 -0.51 -1.02 114.58 119.56 1nti h GLU 11 Ca 0.09 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1nti h GLU 11 Cb 0.24 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1nti h GLU 11 CO -0.00 -0.31 -0.12 -0.24 -1.16 0.00 0.00 179.01 177.18 1nti h VAL 12 N -0.49 0.70 0.00 3.13 3.04 -0.77 0.38 116.25 122.25 1nti h VAL 12 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1nti h VAL 12 Cb 0.52 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1nti h VAL 12 CO -0.16 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.69 1nti n LYS 13 N -5.25 0.02 -0.25 4.17 5.02 -0.35 -1.00 118.16 120.52 1nti n LYS 13 Ca -0.05 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 1nti n LYS 13 Cb 0.17 -1.56 0.19 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.60 0.49 -2.34 2.13 8.25 0.12 -5.06 115.22 117.22 1nti n HIS 14 Ca -0.00 -0.86 -0.38 0.00 -0.26 0.00 0.00 57.72 56.22 1nti n HIS 14 Cb 0.01 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 1nti n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nti s LEU 15 N -2.55 4.15 0.00 2.41 1.43 -0.17 -4.81 118.68 119.14 1nti s LEU 15 Ca 0.34 2.28 0.19 0.00 -1.03 0.00 0.00 54.13 55.91 1nti s LEU 15 Cb 0.27 -4.10 0.87 0.00 0.03 0.00 0.00 46.19 43.27 1nti s LEU 15 CO 0.07 -0.69 1.61 2.29 0.23 0.00 0.00 176.35 179.86 1nti n LYS 16 N -0.06 0.08 -4.17 1.70 2.85 -0.67 -4.85 118.16 113.05 1nti n LYS 16 Ca 0.05 0.15 -0.16 0.00 -1.05 0.00 0.00 58.31 57.30 1nti n LYS 16 Cb 0.47 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.30 1nti n LYS 16 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1nti s THR 17 N -2.87 0.00 -0.32 0.58 2.01 -1.26 -5.03 115.64 108.74 1nti s THR 17 Ca 0.12 -1.77 -0.14 0.00 0.31 0.00 0.00 61.69 60.21 1nti s THR 17 Cb 0.13 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1nti s THR 17 CO 0.33 0.00 0.33 -1.59 -0.69 0.00 0.00 174.62 173.00 1nti s LYS 18 N -3.23 3.66 0.11 4.92 -2.85 -1.26 -5.06 119.74 116.03 1nti s LYS 18 Ca 0.35 -0.37 -0.31 0.00 -1.00 0.00 0.00 55.97 54.64 1nti s LYS 18 Cb 0.01 -3.77 -0.07 0.00 -2.06 0.00 0.00 37.83 31.94 1nti s LYS 18 CO 0.23 -0.44 1.23 -2.14 0.10 0.00 0.00 175.35 174.34 1nti s PRO 19 N 1.95 4.43 0.64 1.78 0.02 -1.26 -4.96 135.00 137.60 1nti s PRO 19 Ca 0.11 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 62.84 1nti s PRO 19 Cb -0.16 -3.30 -0.13 0.00 0.02 0.00 0.00 34.50 30.93 1nti s PRO 19 CO 0.11 -0.24 -0.39 0.00 -0.33 0.00 0.00 177.00 176.15 1nti n ALA 20 N 3.53 -3.93 -0.35 -1.55 0.00 -1.26 -3.87 120.51 113.07 1nti n ALA 20 Ca 0.08 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1nti n ALA 20 Cb 0.45 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 1nti n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nti n ASP 21 N 2.56 -0.88 -0.28 0.00 9.92 -1.26 -0.05 116.55 126.54 1nti n ASP 21 Ca 0.03 1.50 0.06 0.00 -0.53 0.00 0.00 54.79 55.85 1nti n ASP 21 Cb 0.44 -0.20 0.20 0.00 -0.64 0.00 0.00 41.12 40.92 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1nti h GLU 22 N 0.00 0.60 -0.03 -1.24 5.08 -1.98 0.35 114.58 117.36 1nti h GLU 22 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nti h GLU 22 Cb 0.35 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nti h GLU 22 CO -0.80 0.40 -0.00 0.93 -1.00 0.00 0.00 179.01 178.54 1nti h GLU 23 N 0.62 0.05 -0.79 2.33 4.39 -0.73 0.26 114.58 120.70 1nti h GLU 23 Ca 0.44 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.13 1nti h GLU 23 Cb 0.59 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1nti h GLU 23 CO -0.35 0.36 0.52 0.52 -1.16 0.00 0.00 179.01 178.91 1nti h MET 24 N -0.27 1.04 -0.46 2.33 2.86 -0.50 0.27 114.93 120.21 1nti h MET 24 Ca 0.01 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1nti h MET 24 Cb 0.34 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1nti h MET 24 CO 0.00 0.69 0.28 -0.07 1.06 0.00 0.00 176.91 178.87 1nti h LEU 25 N 1.07 0.47 0.54 1.22 3.38 -0.12 0.46 115.31 122.33 1nti h LEU 25 Ca 0.29 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1nti h LEU 25 Cb -0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1nti h LEU 25 CO -0.07 0.34 -0.37 0.15 0.09 0.00 0.00 178.44 178.58 1nti h PHE 26 N 0.57 -0.98 0.00 1.13 3.04 0.34 0.70 116.94 121.74 1nti h PHE 26 Ca 0.18 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1nti h PHE 26 Cb -0.02 0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1nti h PHE 26 CO -0.06 -0.55 0.00 -0.89 -2.02 0.00 0.00 178.31 174.80 1nti n ILE 27 N -5.49 0.00 -0.09 1.41 2.08 0.87 -0.73 119.36 117.41 1nti n ILE 27 Ca -0.12 0.76 -0.02 0.00 0.56 0.00 0.00 62.75 63.93 1nti n ILE 27 Cb 0.39 -1.55 -0.02 0.00 -0.75 0.00 0.00 39.64 37.71 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nti n TYR 28 N -0.37 -0.08 0.33 1.39 4.19 0.16 0.15 117.16 122.93 1nti n TYR 28 Ca 0.00 0.26 -0.18 0.00 3.31 0.00 0.00 57.90 61.29 1nti n TYR 28 Cb 0.00 -0.53 -0.09 0.00 0.49 0.00 0.00 39.34 39.21 1nti n TYR 28 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1nti h SER 29 N 0.00 -1.25 0.15 2.98 4.64 -0.67 0.82 113.55 120.21 1nti h SER 29 Ca 0.04 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1nti h SER 29 Cb 0.09 0.40 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1nti h SER 29 CO -0.20 -0.67 -0.20 0.45 -0.87 0.00 0.00 176.83 175.35 1nti h HIS 30 N -1.03 0.10 -0.28 4.77 3.86 0.14 0.59 115.15 123.31 1nti h HIS 30 Ca -0.07 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 1nti h HIS 30 Cb 0.87 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 1nti h HIS 30 CO -0.19 0.30 -0.23 -0.92 0.86 0.00 0.00 177.93 177.74 1nti h TYR 31 N 0.09 0.78 0.59 2.45 3.20 0.06 0.40 116.97 124.54 1nti h TYR 31 Ca 0.02 -0.22 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 1nti h TYR 31 Cb 0.41 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.52 1nti h TYR 31 CO 0.00 0.94 -0.28 0.87 -1.64 0.00 0.00 178.16 178.05 1nti h LYS 32 N 0.39 -0.76 -0.54 1.82 1.79 -0.29 -0.78 116.57 118.21 1nti h LYS 32 Ca 0.05 0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1nti h LYS 32 Cb 0.79 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 1nti h LYS 32 CO 0.06 -0.46 0.25 0.37 -1.08 0.00 0.00 179.45 178.60 1nti h GLN 33 N -0.93 0.47 -0.93 3.15 5.75 -0.85 0.73 115.11 122.51 1nti h GLN 33 Ca -0.08 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.46 1nti h GLN 33 Cb 0.65 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.03 1nti h GLN 33 CO 0.13 0.31 0.59 0.00 -2.65 0.00 0.00 178.83 177.21 1nti h ALA 34 N 1.32 1.29 0.00 3.38 0.00 -0.10 -3.12 119.26 122.03 1nti h ALA 34 Ca 0.25 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1nti h ALA 34 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1nti h ALA 34 CO -0.20 0.34 -1.55 0.25 0.00 0.00 0.00 179.25 178.08 1nti n THR 35 N -4.58 0.55 0.09 0.00 -2.24 -0.31 -4.75 114.28 103.05 1nti n THR 35 Ca 0.14 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1nti n THR 35 Cb 0.20 -1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.18 1.54 0.00 2.28 2.07 0.12 -3.50 116.25 118.58 1nti h VAL 36 Ca -0.24 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 64.17 1nti h VAL 36 Cb 1.28 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1nti h VAL 36 CO -0.10 0.90 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1nti n GLY 37 N 1.46 0.04 3.26 2.17 0.00 0.10 -4.92 105.19 107.29 1nti n GLY 37 Ca -0.07 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.54 -4.69 1.61 9.92 -1.25 -3.42 116.55 115.17 1nti n ASP 38 Ca 0.00 0.26 -0.42 0.00 -0.53 0.00 0.00 54.79 54.10 1nti n ASP 38 Cb 0.00 -1.03 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 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 -2.24 2.95 -0.41 0.53 2.07 -1.26 -4.81 121.20 118.02 1nti s ILE 39 Ca 0.50 0.47 0.09 0.00 -1.41 0.00 0.00 60.65 60.30 1nti s ILE 39 Cb -0.19 -3.30 0.34 0.00 0.13 0.00 0.00 42.46 39.43 1nti s ILE 39 CO 0.73 0.01 0.92 -0.46 -1.91 0.00 0.00 174.94 174.22 1nti n ASN 40 N 5.30 -0.71 0.05 4.50 0.23 -1.26 -4.90 115.26 118.47 1nti n ASN 40 Ca 0.16 -3.35 0.00 0.00 -0.53 0.00 0.00 54.58 50.86 1nti n ASN 40 Cb 0.40 0.62 0.00 0.00 -2.08 0.00 0.00 39.78 38.72 1nti n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1nti n THR 41 N 0.32 0.91 0.00 5.53 -2.24 -1.26 -5.10 114.28 112.43 1nti n THR 41 Ca 0.16 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1nti n THR 41 Cb 0.68 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1nti n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nti n GLU 42 N -3.30 0.00 -1.70 -0.78 -0.58 -1.26 -5.07 120.64 107.94 1nti n GLU 42 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1nti n GLU 42 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1nti n GLU 42 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1nti n ARG 43 N 0.00 2.70 -0.25 3.49 0.63 -1.26 -4.86 116.66 117.11 1nti n ARG 43 Ca 0.00 0.98 -0.01 0.00 -0.92 0.00 0.00 57.85 57.90 1nti n ARG 43 Cb 0.00 -2.83 0.03 0.00 0.45 0.00 0.00 32.46 30.10 1nti n ARG 43 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1nti n PRO 44 N 4.55 -0.16 0.00 -0.14 -0.04 -1.26 -4.94 135.00 133.01 1nti n PRO 44 Ca 0.17 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 1nti n PRO 44 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1nti n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nti n GLY 45 N -1.31 -0.86 0.00 0.55 0.00 -1.26 -4.21 105.19 98.09 1nti n GLY 45 Ca 0.07 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1nti n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nti n MET 46 N -0.77 0.00 -0.34 1.61 0.00 -1.26 0.46 117.12 116.83 1nti n MET 46 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.70 57.88 1nti n MET 46 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 33.22 33.58 1nti n MET 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1nti h LEU 47 N 0.00 -0.27 0.00 -0.89 -0.00 -1.98 -3.45 115.31 108.72 1nti h LEU 47 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1nti h LEU 47 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1nti h LEU 47 CO 0.00 -0.36 0.00 0.47 -0.00 0.00 0.00 178.44 178.55 1nti n ASP 48 N -5.42 0.00 -0.53 -0.43 8.00 0.17 -4.95 116.55 113.39 1nti n ASP 48 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1nti n ASP 48 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1nti n ASP 48 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1nti n PHE 49 N 0.19 0.00 0.16 1.24 -1.74 -1.26 -4.88 117.46 111.18 1nti n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1nti n PHE 49 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1nti n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1nti n LYS 50 N 0.00 0.01 0.04 3.97 4.76 -1.26 0.15 118.16 125.83 1nti n LYS 50 Ca 0.00 0.47 -0.11 0.00 -2.87 0.00 0.00 58.31 55.79 1nti n LYS 50 Cb 0.00 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 31.60 1nti n LYS 50 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1nti h GLY 51 N 0.00 0.11 0.85 0.72 0.00 -1.97 -3.33 103.07 99.44 1nti h GLY 51 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1nti h GLY 51 CO 0.00 0.25 0.44 1.70 0.00 0.00 0.00 176.54 178.93 1nti h LYS 52 N 0.03 0.83 0.50 4.80 3.64 -0.64 0.20 116.57 125.93 1nti h LYS 52 Ca -0.16 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1nti h LYS 52 Cb 1.92 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 1nti h LYS 52 CO 0.13 0.55 -0.51 0.00 -2.27 0.00 0.00 179.45 177.36 1nti h ALA 53 N 1.31 -1.14 -0.75 5.00 0.00 -1.74 0.19 119.26 122.14 1nti h ALA 53 Ca 0.29 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1nti h ALA 53 Cb 0.04 0.73 -0.14 0.00 0.00 0.00 0.00 17.79 18.42 1nti h ALA 53 CO -0.12 -1.18 -0.25 0.87 0.00 0.00 0.00 179.25 178.58 1nti h LYS 54 N -1.00 -0.04 0.74 0.00 1.79 -1.52 0.34 116.57 116.87 1nti h LYS 54 Ca -0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1nti h LYS 54 Cb 0.87 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1nti h LYS 54 CO -0.07 -0.03 -0.39 2.35 -1.08 0.00 0.00 179.45 180.23 1nti h TRP 55 N -0.04 -1.03 -0.37 -1.35 7.01 0.00 0.04 115.95 120.20 1nti h TRP 55 Ca 0.33 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.40 1nti h TRP 55 Cb 0.57 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 27.90 1nti h TRP 55 CO -0.64 -0.61 -0.17 -0.44 -2.79 0.00 0.00 178.44 173.78 1nti h ASP 56 N -1.04 -0.59 -0.83 2.65 5.19 -0.28 0.45 116.42 121.96 1nti h ASP 56 Ca -0.10 0.14 0.20 0.00 -0.62 0.00 0.00 57.03 56.65 1nti h ASP 56 Cb 0.81 0.33 -0.05 0.00 0.18 0.00 0.00 39.33 40.59 1nti h ASP 56 CO 0.14 -0.21 0.56 0.00 -3.12 0.00 0.00 179.24 176.61 1nti h ALA 57 N 1.17 2.34 0.12 3.45 0.00 -0.14 0.23 119.26 126.42 1nti h ALA 57 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 1nti h ALA 57 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nti h ALA 57 CO -0.44 -0.59 -1.29 2.35 0.00 0.00 0.00 179.25 179.28 1nti h TRP 58 N 0.29 0.45 -0.74 0.00 7.01 0.13 -3.32 115.95 119.76 1nti h TRP 58 Ca 0.42 -0.33 0.15 0.00 2.11 0.00 0.00 58.89 61.24 1nti h TRP 58 Cb 1.18 -0.02 -0.10 0.00 -2.10 0.00 0.00 29.16 28.13 1nti h TRP 58 CO -0.00 1.50 0.27 -0.97 -2.79 0.00 0.00 178.44 176.45 1nti h ASN 59 N -0.34 0.21 -1.21 2.65 -1.24 0.12 0.73 115.58 116.50 1nti h ASN 59 Ca -0.27 0.12 0.35 0.00 0.71 0.00 0.00 56.30 57.20 1nti h ASN 59 Cb 1.72 0.11 -0.07 0.00 0.73 0.00 0.00 38.32 40.82 1nti h ASN 59 CO 0.07 0.06 0.84 -0.08 -1.29 0.00 0.00 177.43 177.04 1nti h GLU 60 N 0.39 0.10 -0.00 6.67 4.81 -0.72 0.61 114.58 126.44 1nti h GLU 60 Ca 0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1nti h GLU 60 Cb 0.65 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1nti h GLU 60 CO -0.43 0.06 -0.93 1.28 -0.73 0.00 0.00 179.01 178.27 1nti n LEU 61 N -4.31 1.11 -0.11 1.64 4.77 0.23 -4.81 117.00 115.52 1nti n LEU 61 Ca 0.27 -0.53 0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1nti n LEU 61 Cb 1.22 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 42.47 1nti n LEU 61 CO 0.36 0.26 0.29 1.17 -1.33 0.00 0.00 177.39 178.14 1nti n LYS 62 N -1.31 -0.01 0.00 3.23 4.81 0.21 0.09 118.16 125.17 1nti n LYS 62 Ca 0.05 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1nti n LYS 62 Cb 0.34 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 34.81 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 -1.12 1.60 2.90 3.14 0.00 -1.26 -3.87 105.19 106.58 1nti n GLY 63 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1nti n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nti n THR 64 N -0.36 0.00 -3.35 2.61 -1.04 0.11 -4.90 114.28 107.35 1nti n THR 64 Ca 0.00 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1nti n THR 64 Cb 0.24 -0.29 -0.09 0.00 -1.82 0.00 0.00 70.33 68.37 1nti n THR 64 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nti s SER 65 N -1.61 6.17 0.38 8.00 0.01 -1.26 -4.91 113.70 120.48 1nti s SER 65 Ca 0.21 -0.79 0.18 0.00 1.31 0.00 0.00 55.95 56.87 1nti s SER 65 Cb -0.03 -2.21 1.13 0.00 0.21 0.00 0.00 66.02 65.12 1nti s SER 65 CO 0.19 -0.57 1.70 0.11 0.41 0.00 0.00 173.24 175.09 1nti h LYS 66 N 8.72 0.33 0.02 12.44 1.57 -1.91 0.11 116.57 137.85 1nti h LYS 66 Ca -0.27 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1nti h LYS 66 Cb 1.11 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1nti h LYS 66 CO 0.79 0.22 -0.01 0.93 -0.57 0.00 0.00 179.45 180.81 1nti h GLU 67 N 0.34 -0.02 -0.46 3.15 5.08 -1.91 0.20 114.58 120.96 1nti h GLU 67 Ca 0.69 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 59.12 1nti h GLU 67 Cb 1.73 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.93 1nti h GLU 67 CO -0.44 0.05 0.11 -0.44 -1.00 0.00 0.00 179.01 177.29 1nti h ASP 68 N -0.08 0.05 0.53 1.42 5.19 -1.21 0.27 116.42 122.58 1nti h ASP 68 Ca -0.00 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1nti h ASP 68 Cb 0.08 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 1nti h ASP 68 CO 0.00 0.06 -0.43 0.00 -3.12 0.00 0.00 179.24 175.76 1nti h ALA 69 N 1.34 -1.00 -0.22 3.45 0.00 -1.10 0.34 119.26 122.07 1nti h ALA 69 Ca 0.23 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nti h ALA 69 Cb 0.28 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1nti h ALA 69 CO -0.28 -1.09 -0.51 0.52 0.00 0.00 0.00 179.25 177.89 1nti h MET 70 N -0.94 -0.46 0.01 0.00 2.86 0.50 0.70 114.93 117.61 1nti h MET 70 Ca -0.06 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1nti h MET 70 Cb 0.80 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1nti h MET 70 CO -0.00 -0.31 -0.22 0.87 1.06 0.00 0.00 176.91 178.31 1nti h LYS 71 N -0.48 -0.27 -0.66 1.72 1.79 -0.29 0.27 116.57 118.65 1nti h LYS 71 Ca 0.04 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.67 1nti h LYS 71 Cb 0.60 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.20 1nti h LYS 71 CO -0.46 -0.18 -0.02 0.00 -1.08 0.00 0.00 179.45 177.71 1nti h ALA 72 N -1.08 0.63 0.79 3.86 0.00 -0.26 -0.82 119.26 122.39 1nti h ALA 72 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1nti h ALA 72 Cb 0.30 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1nti h ALA 72 CO -0.14 -0.41 -0.40 -0.92 0.00 0.00 0.00 179.25 177.39 1nti h TYR 73 N 0.10 -1.03 -0.64 0.00 5.03 -0.53 0.29 116.97 120.17 1nti h TYR 73 Ca 0.34 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.72 1nti h TYR 73 Cb 0.57 0.35 -0.11 0.00 1.55 0.00 0.00 36.73 39.09 1nti h TYR 73 CO -0.40 -0.63 -0.46 0.82 -1.32 0.00 0.00 178.16 176.17 1nti h ILE 74 N -1.09 0.06 0.34 1.81 2.04 0.52 0.33 117.51 121.53 1nti h ILE 74 Ca -0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1nti h ILE 74 Cb 0.84 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1nti h ILE 74 CO 0.17 0.00 -0.34 0.44 0.00 0.00 0.00 178.15 178.41 1nti h ASP 75 N -0.20 -0.92 -0.93 1.72 5.19 -1.10 0.21 116.42 120.38 1nti h ASP 75 Ca 0.18 0.08 0.19 0.00 -0.62 0.00 0.00 57.03 56.87 1nti h ASP 75 Cb 0.55 0.31 -0.18 0.00 0.18 0.00 0.00 39.33 40.20 1nti h ASP 75 CO -0.73 -0.48 -0.20 0.50 -3.12 0.00 0.00 179.24 175.21 1nti h LYS 76 N -0.71 0.00 -0.00 3.56 1.63 0.20 0.30 116.57 121.55 1nti h LYS 76 Ca -0.02 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1nti h LYS 76 Cb 0.64 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1nti h LYS 76 CO -0.06 0.00 -0.10 0.28 -3.45 0.00 0.00 179.45 176.12 1nti h VAL 77 N 0.00 1.58 -0.77 2.00 2.07 0.06 0.26 116.25 121.46 1nti h VAL 77 Ca 0.46 -1.85 0.18 0.00 0.82 0.00 0.00 66.70 66.31 1nti h VAL 77 Cb 0.73 2.80 -0.12 0.00 -1.52 0.00 0.00 31.29 33.18 1nti h VAL 77 CO -0.95 0.49 0.15 -0.08 0.02 0.00 0.00 177.57 177.21 1nti h GLU 78 N -0.66 0.22 0.02 1.57 4.22 0.59 0.59 114.58 121.13 1nti h GLU 78 Ca -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1nti h GLU 78 Cb 0.86 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1nti h GLU 78 CO 0.02 0.14 -0.01 0.93 -2.18 0.00 0.00 179.01 177.91 1nti h GLU 79 N 0.22 -0.03 -0.16 1.92 4.39 -0.46 -1.09 114.58 119.38 1nti h GLU 79 Ca 0.44 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.19 1nti h GLU 79 Cb 0.80 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1nti h GLU 79 CO -0.57 0.45 0.14 -0.07 -1.16 0.00 0.00 179.01 177.80 1nti h LEU 80 N -0.51 0.00 -0.19 1.33 3.38 0.11 0.34 115.31 119.76 1nti h LEU 80 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1nti h LEU 80 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1nti h LEU 80 CO 0.00 0.00 -0.57 0.50 0.09 0.00 0.00 178.44 178.47 1nti h LYS 81 N 0.00 0.73 -0.32 1.13 3.64 0.44 0.33 116.57 122.51 1nti h LYS 81 Ca 0.07 -0.52 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 1nti h LYS 81 Cb 0.35 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1nti h LYS 81 CO -0.00 1.14 -0.32 0.87 -2.27 0.00 0.00 179.45 178.87 1nti h LYS 82 N 0.44 0.71 0.15 1.90 1.57 0.40 0.35 116.57 122.09 1nti h LYS 82 Ca -0.02 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1nti h LYS 82 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1nti h LYS 82 CO 0.12 0.93 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.64 1nti h LYS 83 N 0.60 -0.20 0.03 3.15 1.63 -0.24 -3.39 116.57 118.15 1nti h LYS 83 Ca 0.07 0.01 -0.35 0.00 -0.85 0.00 0.00 60.65 59.53 1nti h LYS 83 Cb 0.84 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.46 1nti h LYS 83 CO 0.07 0.22 -2.16 0.66 -3.45 0.00 0.00 179.45 174.80 1nti n TYR 84 N -4.96 0.52 0.00 1.91 4.01 0.11 -5.08 117.16 113.68 1nti n TYR 84 Ca -0.08 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1nti n TYR 84 Cb 0.26 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.21 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 1.88 -0.81 0.00 2.72 0.00 0.12 -4.66 105.19 104.44 1nti n GLY 85 Ca -0.32 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83