#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 0.62 -0.26 -1.46 10.64 -1.26 -4.13 117.38 121.54 1nti n GLN 2 Ca 0.00 0.19 -0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1nti n GLN 2 Cb 0.00 -1.81 0.06 0.00 -0.86 0.00 0.00 30.24 27.63 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 1.58 0.32 -0.37 2.61 0.00 -2.04 0.61 119.26 121.98 1nti h ALA 3 Ca -0.12 0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1nti h ALA 3 Cb 1.42 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1nti h ALA 3 CO 0.03 -0.50 0.27 0.93 0.00 0.00 0.00 179.25 179.97 1nti h GLU 4 N -0.05 0.00 0.02 0.00 3.07 -1.98 0.40 114.58 116.04 1nti h GLU 4 Ca 0.33 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1nti h GLU 4 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1nti h GLU 4 CO -0.77 0.00 -0.01 0.35 -1.40 0.00 0.00 179.01 177.18 1nti h PHE 5 N 0.00 -0.03 -0.51 4.33 3.57 -0.11 0.15 116.94 124.35 1nti h PHE 5 Ca 0.17 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1nti h PHE 5 Cb 0.70 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.35 1nti h PHE 5 CO 0.00 0.38 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.86 1nti h ASP 6 N -0.99 -0.55 -0.03 0.41 5.19 -0.50 0.77 116.42 120.72 1nti h ASP 6 Ca -0.00 0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.60 1nti h ASP 6 Cb 0.42 0.34 -0.06 0.00 0.18 0.00 0.00 39.33 40.21 1nti h ASP 6 CO 0.01 -0.19 -0.36 0.50 -3.12 0.00 0.00 179.24 176.07 1nti h LYS 7 N -0.03 -0.48 -0.68 3.56 3.64 -0.29 0.36 116.57 122.65 1nti h LYS 7 Ca 0.24 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.79 1nti h LYS 7 Cb 0.40 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.24 1nti h LYS 7 CO -0.54 -0.32 0.21 0.00 -2.27 0.00 0.00 179.45 176.53 1nti h ALA 8 N 0.17 0.89 -0.90 5.00 0.00 0.25 0.33 119.26 124.99 1nti h ALA 8 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nti h ALA 8 Cb 0.60 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1nti h ALA 8 CO -0.31 -0.27 0.59 0.00 0.00 0.00 0.00 179.25 179.26 1nti h ALA 9 N 1.52 1.19 0.04 0.00 0.00 0.16 0.25 119.26 122.43 1nti h ALA 9 Ca 0.37 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 9 Cb 0.56 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nti h ALA 9 CO -0.41 0.46 -1.09 0.93 0.00 0.00 0.00 179.25 179.13 1nti h GLU 10 N 1.15 0.66 -0.23 0.00 4.39 0.74 -1.95 114.58 119.33 1nti h GLU 10 Ca 0.36 -0.77 0.06 0.00 0.34 0.00 0.00 59.36 59.34 1nti h GLU 10 Cb -0.02 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 1nti h GLU 10 CO -0.11 1.34 -0.28 0.93 -1.16 0.00 0.00 179.01 179.72 1nti h GLU 11 N 0.33 -0.29 -0.13 2.33 4.39 0.22 -0.94 114.58 120.47 1nti h GLU 11 Ca -0.15 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.62 1nti h GLU 11 Cb 1.76 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.42 1nti h GLU 11 CO 0.21 -0.19 -0.21 -0.24 -1.16 0.00 0.00 179.01 177.42 1nti h VAL 12 N -0.30 0.47 0.00 3.13 3.04 -0.92 0.17 116.25 121.84 1nti h VAL 12 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1nti h VAL 12 Cb 0.50 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1nti h VAL 12 CO -0.40 0.00 0.27 0.29 -1.01 0.00 0.00 177.57 176.71 1nti n LYS 13 N -5.35 0.05 -0.11 4.17 5.02 -0.40 -1.08 118.16 120.46 1nti n LYS 13 Ca -0.03 0.44 0.08 0.00 -2.02 0.00 0.00 58.31 56.78 1nti n LYS 13 Cb 0.26 -1.92 0.13 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.69 0.13 -2.13 2.13 8.25 0.56 -5.05 115.22 117.43 1nti n HIS 14 Ca -0.00 -0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 56.16 1nti n HIS 14 Cb 0.28 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.51 4.38 0.01 2.41 1.43 -0.24 -4.90 118.68 119.25 1nti s LEU 15 Ca 0.28 2.64 0.24 0.00 -1.03 0.00 0.00 54.13 56.26 1nti s LEU 15 Cb 0.24 -3.72 0.30 0.00 0.03 0.00 0.00 46.19 43.04 1nti s LEU 15 CO 0.04 -0.59 1.27 1.17 0.23 0.00 0.00 176.35 178.46 1nti n LYS 16 N 0.63 0.05 -3.47 1.70 4.81 0.76 -4.90 118.16 117.74 1nti n LYS 16 Ca 0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.25 1nti n LYS 16 Cb 0.43 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.93 1nti n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1nti s THR 17 N -3.03 2.73 -0.42 3.15 2.01 -1.26 -5.05 115.64 113.77 1nti s THR 17 Ca 0.09 -1.28 -0.19 0.00 0.31 0.00 0.00 61.69 60.62 1nti s THR 17 Cb 0.17 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1nti s THR 17 CO 0.75 -0.00 0.53 -0.75 -0.69 0.00 0.00 174.62 174.45 1nti s LYS 18 N -4.17 3.26 0.86 4.92 2.47 -1.26 -5.06 119.74 120.76 1nti s LYS 18 Ca 0.49 -0.51 -0.12 0.00 -1.56 0.00 0.00 55.97 54.27 1nti s LYS 18 Cb -0.04 -3.93 0.11 0.00 -1.46 0.00 0.00 37.83 32.50 1nti s LYS 18 CO 0.29 -0.88 1.12 -2.14 0.16 0.00 0.00 175.35 173.91 1nti s PRO 19 N 2.44 1.57 0.39 4.03 0.02 -1.26 -5.06 135.00 137.13 1nti s PRO 19 Ca 0.17 0.41 0.04 0.00 0.02 0.00 0.00 61.00 61.64 1nti s PRO 19 Cb -0.16 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.48 1nti s PRO 19 CO 0.16 -1.93 0.56 0.00 -0.33 0.00 0.00 177.00 175.46 1nti s ALA 20 N -3.25 4.08 0.00 -1.55 0.00 -1.26 -4.88 121.76 114.90 1nti s ALA 20 Ca 0.62 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1nti s ALA 20 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1nti s ALA 20 CO 0.53 -0.21 0.55 -0.25 0.00 0.00 0.00 175.76 176.38 1nti n ASP 21 N -1.84 0.00 -0.38 0.00 9.92 -1.26 -0.91 116.55 122.08 1nti n ASP 21 Ca 0.01 0.55 0.30 0.00 -0.53 0.00 0.00 54.79 55.12 1nti n ASP 21 Cb 0.58 -0.15 0.57 0.00 -0.64 0.00 0.00 41.12 41.49 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 0.20 0.00 -1.24 5.08 -1.97 0.37 114.58 117.02 1nti h GLU 22 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1nti h GLU 22 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1nti h GLU 22 CO 0.00 0.13 -0.19 0.93 -1.00 0.00 0.00 179.01 178.88 1nti h GLU 23 N 0.20 0.12 -0.81 2.33 4.39 -1.66 0.56 114.58 119.72 1nti h GLU 23 Ca 0.76 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 60.35 1nti h GLU 23 Cb 2.11 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.75 1nti h GLU 23 CO -0.46 0.90 0.52 0.00 -1.16 0.00 0.00 179.01 178.81 1nti h MET 24 N -0.60 0.99 -0.27 2.33 -0.00 0.44 0.12 114.93 117.94 1nti h MET 24 Ca -0.02 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1nti h MET 24 Cb 0.97 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 32.34 1nti h MET 24 CO 0.04 0.65 0.16 -0.07 -0.00 0.00 0.00 176.91 177.69 1nti h LEU 25 N 1.02 0.32 -0.10 -0.10 3.38 -0.30 0.19 115.31 119.71 1nti h LEU 25 Ca 0.32 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1nti h LEU 25 Cb 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1nti h LEU 25 CO -0.11 0.28 -0.36 0.15 0.09 0.00 0.00 178.44 178.49 1nti h PHE 26 N 0.33 -1.02 0.00 1.13 3.57 0.15 0.14 116.94 121.24 1nti h PHE 26 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1nti h PHE 26 Cb 0.02 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1nti h PHE 26 CO -0.04 -0.44 0.00 -0.89 -2.23 0.00 0.00 178.31 174.71 1nti n ILE 27 N -5.43 0.00 -0.17 1.41 2.08 0.30 -0.41 119.36 117.15 1nti n ILE 27 Ca -0.04 1.00 -0.04 0.00 0.56 0.00 0.00 62.75 64.22 1nti n ILE 27 Cb 0.34 -1.82 -0.04 0.00 -0.75 0.00 0.00 39.64 37.38 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 -0.68 -0.18 0.17 1.39 4.19 0.62 0.19 117.16 122.86 1nti n TYR 28 Ca 0.00 0.52 -0.14 0.00 3.31 0.00 0.00 57.90 61.58 1nti n TYR 28 Cb 0.00 -0.54 -0.07 0.00 0.49 0.00 0.00 39.34 39.23 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 -0.82 0.17 2.98 4.64 -0.48 -0.86 113.55 119.18 1nti h SER 29 Ca 0.07 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1nti h SER 29 Cb 0.17 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1nti h SER 29 CO -0.39 -0.41 -0.48 0.45 -0.87 0.00 0.00 176.83 175.13 1nti h HIS 30 N -0.59 0.44 -0.59 4.77 3.86 0.39 -0.56 115.15 122.87 1nti h HIS 30 Ca 0.00 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 1nti h HIS 30 Cb 0.56 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1nti h HIS 30 CO -0.21 0.77 0.05 -0.92 0.86 0.00 0.00 177.93 178.48 1nti h TYR 31 N 0.29 1.09 0.65 2.45 5.03 -0.09 0.25 116.97 126.64 1nti h TYR 31 Ca 0.02 -0.17 -0.03 0.00 2.58 0.00 0.00 58.73 61.12 1nti h TYR 31 Cb 0.95 -0.29 0.01 0.00 1.55 0.00 0.00 36.73 38.95 1nti h TYR 31 CO 0.03 0.95 -0.31 0.87 -1.32 0.00 0.00 178.16 178.38 1nti h LYS 32 N 0.91 -0.84 -0.69 1.82 1.79 -0.85 0.72 116.57 119.43 1nti h LYS 32 Ca 0.17 0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.83 1nti h LYS 32 Cb 0.49 0.19 -0.09 0.00 -1.58 0.00 0.00 32.23 31.24 1nti h LYS 32 CO 0.02 -0.56 0.22 0.37 -1.08 0.00 0.00 179.45 178.42 1nti h GLN 33 N -1.04 0.35 -0.23 3.15 5.75 -1.03 0.64 115.11 122.70 1nti h GLN 33 Ca -0.09 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1nti h GLN 33 Cb 0.67 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.11 1nti h GLN 33 CO 0.15 0.23 -0.01 0.00 -2.65 0.00 0.00 178.83 176.54 1nti h ALA 34 N 1.52 0.19 0.00 3.38 0.00 -0.43 -2.93 119.26 120.99 1nti h ALA 34 Ca 0.37 0.07 -0.44 0.00 0.00 0.00 0.00 54.91 54.92 1nti h ALA 34 Cb 0.56 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1nti h ALA 34 CO -0.41 -0.44 -2.47 0.25 0.00 0.00 0.00 179.25 176.19 1nti n THR 35 N -5.16 1.52 -0.03 0.00 -2.24 0.24 -4.74 114.28 103.87 1nti n THR 35 Ca -0.02 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 1nti n THR 35 Cb 0.13 -1.77 -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 -0.72 1.22 0.00 2.28 2.07 -0.02 -3.51 116.25 117.57 1nti h VAL 36 Ca -0.65 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.51 1nti h VAL 36 Cb 1.69 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 1nti h VAL 36 CO -0.32 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1nti n GLY 37 N 1.63 0.80 3.59 2.17 0.00 0.66 -4.92 105.19 109.12 1nti n GLY 37 Ca -0.22 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1nti n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nti s ASP 38 N -4.00 5.53 -0.14 1.61 1.11 -1.26 -3.73 116.67 115.79 1nti s ASP 38 Ca 0.00 1.32 -0.13 0.00 0.18 0.00 0.00 52.55 53.92 1nti s ASP 38 Cb 0.00 -2.52 -0.06 0.00 1.07 0.00 0.00 42.92 41.42 1nti s ASP 38 CO 0.00 -1.99 0.56 0.00 1.18 0.00 0.00 175.17 174.91 1nti n ILE 39 N 7.55 0.00 -0.59 0.77 3.06 -1.26 -4.85 119.36 124.04 1nti n ILE 39 Ca 0.26 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.51 1nti n ILE 39 Cb 0.48 -0.14 0.01 0.00 0.54 0.00 0.00 39.64 40.52 1nti n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1nti n ASN 40 N 1.79 1.00 -4.61 9.51 6.94 -1.26 -5.05 115.26 123.59 1nti n ASN 40 Ca 0.13 -1.57 -0.25 0.00 -0.02 0.00 0.00 54.58 52.87 1nti n ASN 40 Cb -0.01 -0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nti s THR 41 N -0.57 2.50 0.00 5.53 -4.23 -1.26 -5.04 115.64 112.58 1nti s THR 41 Ca 0.01 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1nti s THR 41 Cb 0.01 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1nti s THR 41 CO 0.00 -0.20 0.49 -0.62 -0.54 0.00 0.00 174.62 173.75 1nti n GLU 42 N -0.91 0.00 -1.61 3.99 4.71 -1.26 -4.92 120.64 120.64 1nti n GLU 42 Ca -0.04 0.00 -0.47 0.00 -0.01 0.00 0.00 57.16 56.64 1nti n GLU 42 Cb 0.63 -0.57 -0.03 0.00 -1.01 0.00 0.00 31.44 30.46 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 2.39 1.49 0.00 3.49 0.63 -1.26 -4.69 116.66 118.70 1nti n ARG 43 Ca 0.00 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1nti n ARG 43 Cb 0.24 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.08 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 1.78 0.00 0.00 -0.14 -0.02 -1.26 -4.73 135.00 130.63 1nti n PRO 44 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1nti n PRO 44 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 1nti n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nti n GLY 45 N -0.89 1.05 0.07 -1.23 0.00 -1.26 -4.28 105.19 98.65 1nti n GLY 45 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 0.44 -0.13 1.61 2.81 -1.26 -4.76 117.12 115.82 1nti n MET 46 Ca 0.00 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.21 1nti n MET 46 Cb 0.00 -1.31 0.26 0.00 -0.71 0.00 0.00 33.22 31.46 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 -4.15 2.82 0.00 4.03 4.32 -1.26 -4.99 117.00 117.77 1nti n LEU 47 Ca -0.11 -1.16 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 1nti n LEU 47 Cb 0.41 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1nti n LEU 47 CO 0.17 0.58 0.00 0.47 -1.22 0.00 0.00 177.39 177.39 1nti n ASP 48 N 1.09 0.00 -1.02 -1.43 8.00 -1.26 -4.89 116.55 117.04 1nti n ASP 48 Ca 0.18 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.77 1nti n ASP 48 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 1nti n ASP 48 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nti n PHE 49 N 0.00 -2.76 0.00 1.24 3.01 -1.26 -3.88 117.46 113.80 1nti n PHE 49 Ca 0.00 1.52 0.00 0.00 1.01 0.00 0.00 57.45 59.98 1nti n PHE 49 Cb 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 39.48 36.97 1nti n PHE 49 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1nti n LYS 50 N -3.26 0.00 0.00 -1.08 5.02 -1.26 -1.05 118.16 116.53 1nti n LYS 50 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1nti n LYS 50 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1nti n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nti n GLY 51 N 0.00 0.00 0.21 0.72 0.00 -1.26 0.36 105.19 105.22 1nti n GLY 51 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1nti n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nti h LYS 52 N 0.00 0.06 -0.50 1.61 3.64 -1.20 0.32 116.57 120.50 1nti h LYS 52 Ca 0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1nti h LYS 52 Cb 0.00 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1nti h LYS 52 CO 0.00 0.04 -0.30 0.00 -2.27 0.00 0.00 179.45 176.93 1nti n ALA 53 N -2.79 -0.32 0.87 5.00 0.00 0.16 0.77 120.51 124.19 1nti n ALA 53 Ca 0.06 0.43 0.14 0.00 0.00 0.00 0.00 53.44 54.06 1nti n ALA 53 Cb 0.29 0.08 0.54 0.00 0.00 0.00 0.00 19.45 20.36 1nti n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nti n LYS 54 N -4.18 0.09 0.34 0.00 3.00 -0.29 0.35 118.16 117.47 1nti n LYS 54 Ca 0.01 0.08 -0.14 0.00 -0.00 0.00 0.00 58.31 58.26 1nti n LYS 54 Cb 0.13 -1.61 -0.07 0.00 0.00 0.00 0.00 35.03 33.48 1nti n LYS 54 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1nti h TRP 55 N 0.00 -0.83 -0.12 5.64 7.01 0.41 0.54 115.95 128.60 1nti h TRP 55 Ca 0.00 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1nti h TRP 55 Cb 0.58 0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.90 1nti h TRP 55 CO 0.00 -0.51 -0.04 -0.44 -2.79 0.00 0.00 178.44 174.66 1nti h ASP 56 N -1.23 -0.14 0.00 2.65 5.19 -1.00 0.30 116.42 122.19 1nti h ASP 56 Ca -0.09 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1nti h ASP 56 Cb 0.70 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1nti h ASP 56 CO 0.15 -0.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.22 1nti n ALA 57 N -2.30 2.24 -0.12 3.45 0.00 0.16 -1.01 120.51 122.93 1nti n ALA 57 Ca -0.04 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1nti n ALA 57 Cb 0.10 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 1nti n ALA 57 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1nti n TRP 58 N -0.91 0.40 -0.31 0.00 -0.00 0.19 -4.10 117.44 112.70 1nti n TRP 58 Ca 0.13 0.17 0.16 0.00 -0.00 0.00 0.00 57.50 57.96 1nti n TRP 58 Cb 0.06 -0.94 0.34 0.00 -0.00 0.00 0.00 31.31 30.76 1nti n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1nti h ASN 59 N -1.00 0.10 0.00 5.87 -1.24 0.45 0.88 115.58 120.63 1nti h ASN 59 Ca -0.44 0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1nti h ASN 59 Cb 1.34 0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.64 1nti h ASN 59 CO -0.27 -0.17 0.00 -0.62 -1.29 0.00 0.00 177.43 175.09 1nti n GLU 60 N -5.20 0.16 -0.00 6.67 -0.58 -0.18 -0.81 120.64 120.69 1nti n GLU 60 Ca 0.24 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1nti n GLU 60 Cb 0.76 -1.13 -0.02 0.00 -0.57 0.00 0.00 31.44 30.48 1nti n GLU 60 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nti n LEU 61 N -0.63 0.00 -4.43 -4.62 4.77 0.30 -5.04 117.00 107.35 1nti n LEU 61 Ca 0.01 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.52 1nti n LEU 61 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1nti n LEU 61 CO 0.01 0.00 0.09 1.17 -1.33 0.00 0.00 177.39 177.33 1nti n LYS 62 N -1.62 0.24 0.00 3.23 0.00 0.01 -0.58 118.16 119.45 1nti n LYS 62 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1nti n LYS 62 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1nti n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nti n GLY 63 N 1.87 2.85 3.50 3.14 0.00 -1.26 -5.03 105.19 110.25 1nti n GLY 63 Ca 0.16 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.77 1.69 0.31 2.61 2.01 0.26 -5.03 115.64 114.72 1nti s THR 64 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1nti s THR 64 Cb 0.00 -2.27 0.06 0.00 0.01 0.00 0.00 72.50 70.31 1nti s THR 64 CO 0.00 0.00 0.43 -1.54 -0.69 0.00 0.00 174.62 172.82 1nti n SER 65 N -4.93 0.63 -0.07 3.53 3.41 -1.26 -4.94 113.62 109.98 1nti n SER 65 Ca 0.08 -1.52 -0.20 0.00 -0.26 0.00 0.00 58.87 56.98 1nti n SER 65 Cb 0.58 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 1nti n SER 65 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nti n LYS 66 N -1.79 0.70 -0.23 4.33 5.02 -1.26 -4.10 118.16 120.82 1nti n LYS 66 Ca 0.07 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1nti n LYS 66 Cb 0.26 -1.60 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1nti n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nti h GLU 67 N 0.01 0.84 -0.24 1.97 4.39 -1.92 0.35 114.58 119.97 1nti h GLU 67 Ca -0.51 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.16 1nti h GLU 67 Cb 1.95 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.39 1nti h GLU 67 CO -0.02 0.55 0.10 -0.44 -1.16 0.00 0.00 179.01 178.04 1nti h ASP 68 N 0.86 0.13 -0.14 1.42 5.19 -1.98 0.47 116.42 122.38 1nti h ASP 68 Ca 0.25 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.69 1nti h ASP 68 Cb -0.06 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1nti h ASP 68 CO -0.07 0.11 0.03 0.00 -3.12 0.00 0.00 179.24 176.19 1nti h ALA 69 N 1.14 0.14 0.66 3.45 0.00 -1.60 0.13 119.26 123.18 1nti h ALA 69 Ca 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1nti h ALA 69 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nti h ALA 69 CO -0.09 -0.42 -0.46 0.52 0.00 0.00 0.00 179.25 178.80 1nti h MET 70 N 0.09 -1.03 -0.42 0.00 2.86 0.29 0.22 114.93 116.94 1nti h MET 70 Ca 0.06 0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1nti h MET 70 Cb 0.05 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1nti h MET 70 CO -0.07 -0.69 -0.37 0.87 1.06 0.00 0.00 176.91 177.71 1nti h LYS 71 N -1.07 -0.15 -0.91 1.72 1.79 0.09 0.44 116.57 118.48 1nti h LYS 71 Ca -0.09 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.54 1nti h LYS 71 Cb 0.88 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.47 1nti h LYS 71 CO 0.05 -0.10 0.52 0.00 -1.08 0.00 0.00 179.45 178.84 1nti h ALA 72 N -0.31 1.40 -0.21 3.86 0.00 -0.66 0.90 119.26 124.23 1nti h ALA 72 Ca 0.07 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1nti h ALA 72 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nti h ALA 72 CO -0.47 -0.01 -0.53 -0.92 0.00 0.00 0.00 179.25 177.32 1nti h TYR 73 N 0.74 0.78 0.43 0.00 5.03 0.11 0.47 116.97 124.52 1nti h TYR 73 Ca 0.49 -0.27 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 1nti h TYR 73 Cb 0.65 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.79 1nti h TYR 73 CO -0.05 1.02 -0.20 0.82 -1.32 0.00 0.00 178.16 178.42 1nti h ILE 74 N 0.48 0.32 -0.30 1.81 2.04 0.46 0.02 117.51 122.35 1nti h ILE 74 Ca 0.01 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1nti h ILE 74 Cb 1.09 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1nti h ILE 74 CO 0.10 0.07 0.06 0.44 0.00 0.00 0.00 178.15 178.82 1nti h ASP 75 N -1.03 0.02 -0.36 1.72 3.32 -0.89 0.86 116.42 120.08 1nti h ASP 75 Ca -0.06 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1nti h ASP 75 Cb 0.54 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.08 1nti h ASP 75 CO 0.10 0.05 -0.55 0.50 -1.72 0.00 0.00 179.24 177.61 1nti h LYS 76 N 0.17 -0.41 -0.29 3.56 1.63 0.03 0.44 116.57 121.71 1nti h LYS 76 Ca 0.14 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1nti h LYS 76 Cb 0.14 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 1nti h LYS 76 CO -0.18 -0.27 0.11 0.28 -3.45 0.00 0.00 179.45 175.94 1nti h VAL 77 N -0.43 0.94 -0.77 2.00 2.07 -0.42 0.34 116.25 119.98 1nti h VAL 77 Ca 0.06 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1nti h VAL 77 Cb 0.60 0.67 -0.13 0.00 -1.52 0.00 0.00 31.29 30.91 1nti h VAL 77 CO -0.56 0.05 -0.39 -0.33 0.02 0.00 0.00 177.57 176.36 1nti h GLU 78 N 0.25 -0.10 0.75 1.57 4.39 0.17 0.40 114.58 122.01 1nti h GLU 78 Ca 0.13 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1nti h GLU 78 Cb 0.09 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1nti h GLU 78 CO -0.12 -0.07 -0.36 0.93 -1.16 0.00 0.00 179.01 178.23 1nti h GLU 79 N -0.10 -0.97 -0.96 2.33 3.07 0.70 0.69 114.58 119.34 1nti h GLU 79 Ca 0.26 0.07 0.20 0.00 -0.50 0.00 0.00 59.36 59.39 1nti h GLU 79 Cb 0.56 0.22 -0.18 0.00 -0.84 0.00 0.00 28.75 28.51 1nti h GLU 79 CO -0.82 -0.63 -0.19 -0.07 -1.40 0.00 0.00 179.01 175.90 1nti h LEU 80 N -1.18 -0.81 -0.47 1.33 3.38 0.77 1.02 115.31 119.34 1nti h LEU 80 Ca -0.10 0.28 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1nti h LEU 80 Cb 0.79 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1nti h LEU 80 CO 0.17 -0.32 -0.02 0.50 0.09 0.00 0.00 178.44 178.87 1nti h LYS 81 N 0.00 0.83 -0.02 1.13 3.11 -0.12 0.39 116.57 121.90 1nti h LYS 81 Ca 0.48 -0.27 -0.04 0.00 -2.81 0.00 0.00 60.65 58.00 1nti h LYS 81 Cb 0.78 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1nti h LYS 81 CO -0.97 0.89 -0.19 0.87 -2.81 0.00 0.00 179.45 177.24 1nti h LYS 82 N 0.68 0.02 0.07 1.90 1.57 0.33 0.51 116.57 121.65 1nti h LYS 82 Ca 0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nti h LYS 82 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1nti h LYS 82 CO 0.03 0.22 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.87 1nti h LYS 83 N 0.02 -0.09 0.00 3.15 3.64 0.41 -3.39 116.57 120.32 1nti h LYS 83 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nti h LYS 83 Cb 0.35 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1nti h LYS 83 CO 0.03 0.42 -1.26 0.66 -2.27 0.00 0.00 179.45 177.02 1nti n TYR 84 N -4.79 0.50 -0.08 1.91 4.01 0.13 -4.98 117.16 113.86 1nti n TYR 84 Ca -0.07 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1nti n TYR 84 Cb 0.27 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 1.26 0.00 0.00 2.72 0.00 0.18 -4.89 105.19 104.46 1nti n GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83