#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 2.59 -0.23 4.33 0.00 -1.26 -4.97 117.38 117.85 1nti n GLN 2 Ca 0.00 -4.57 -0.06 0.00 -0.00 0.00 0.00 57.00 52.37 1nti n GLN 2 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 30.24 27.85 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nti n ALA 3 N 1.54 -0.34 -0.50 1.69 0.00 -1.26 -1.03 120.51 120.60 1nti n ALA 3 Ca 0.25 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1nti n ALA 3 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1nti n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nti n GLU 4 N -4.63 0.00 -0.21 0.00 -0.58 -1.26 -0.49 120.64 113.46 1nti n GLU 4 Ca 0.01 0.25 -0.04 0.00 -0.42 0.00 0.00 57.16 56.95 1nti n GLU 4 Cb 0.14 -1.23 -0.04 0.00 -0.57 0.00 0.00 31.44 29.74 1nti n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1nti n PHE 5 N -1.24 -0.17 -0.07 -0.32 7.35 -0.89 0.14 117.46 122.25 1nti n PHE 5 Ca 0.00 0.62 -0.08 0.00 -0.76 0.00 0.00 57.45 57.24 1nti n PHE 5 Cb 0.00 -0.57 -0.01 0.00 0.35 0.00 0.00 39.48 39.25 1nti n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1nti h ASP 6 N 0.00 0.08 -0.31 -2.13 3.32 -1.11 0.27 116.42 116.54 1nti h ASP 6 Ca 0.10 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1nti h ASP 6 Cb 0.23 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1nti h ASP 6 CO -0.48 0.08 0.09 0.50 -1.72 0.00 0.00 179.24 177.71 1nti h LYS 7 N 0.20 0.21 -0.33 3.56 3.64 0.38 0.39 116.57 124.63 1nti h LYS 7 Ca 0.12 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1nti h LYS 7 Cb 0.10 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1nti h LYS 7 CO -0.13 0.14 0.08 0.00 -2.27 0.00 0.00 179.45 177.27 1nti h ALA 8 N 1.21 0.36 -0.44 5.00 0.00 0.15 0.31 119.26 125.85 1nti h ALA 8 Ca 0.14 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1nti h ALA 8 Cb 0.13 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1nti h ALA 8 CO -0.16 -0.32 0.11 0.00 0.00 0.00 0.00 179.25 178.88 1nti h ALA 9 N 1.23 0.50 -0.24 0.00 0.00 0.70 0.22 119.26 121.67 1nti h ALA 9 Ca 0.15 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1nti h ALA 9 Cb 0.15 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nti h ALA 9 CO -0.19 -0.29 -0.38 1.49 0.00 0.00 0.00 179.25 179.88 1nti h GLU 10 N 0.25 0.68 0.50 0.00 4.81 0.21 -1.70 114.58 119.33 1nti h GLU 10 Ca 0.21 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1nti h GLU 10 Cb 0.25 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1nti h GLU 10 CO -0.26 1.03 -0.44 0.93 -0.73 0.00 0.00 179.01 179.54 1nti h GLU 11 N 0.40 -0.91 -0.39 1.92 4.39 0.11 -2.45 114.58 117.66 1nti h GLU 11 Ca 0.02 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1nti h GLU 11 Cb 0.98 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 1nti h GLU 11 CO 0.09 -0.61 -0.03 -0.24 -1.16 0.00 0.00 179.01 177.06 1nti h VAL 12 N -0.94 0.67 0.00 3.13 3.04 -0.62 0.15 116.25 121.68 1nti h VAL 12 Ca -0.06 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1nti h VAL 12 Cb 0.81 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1nti h VAL 12 CO -0.03 0.01 0.20 0.29 -1.01 0.00 0.00 177.57 177.03 1nti n LYS 13 N -5.23 0.00 -0.63 4.17 5.02 -0.64 -1.45 118.16 119.39 1nti n LYS 13 Ca 0.02 0.25 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1nti n LYS 13 Cb 0.21 -1.70 0.04 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.22 0.00 -1.93 2.13 8.25 0.49 -5.08 115.22 117.86 1nti n HIS 14 Ca 0.00 -0.37 -0.36 0.00 -0.26 0.00 0.00 57.72 56.73 1nti n HIS 14 Cb 0.20 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.70 3.66 0.33 2.41 1.43 -0.53 -4.75 118.68 120.53 1nti s LEU 15 Ca 0.15 2.48 0.11 0.00 -1.03 0.00 0.00 54.13 55.84 1nti s LEU 15 Cb 0.15 -4.58 0.90 0.00 0.03 0.00 0.00 46.19 42.70 1nti s LEU 15 CO -0.03 -1.70 1.75 0.11 0.23 0.00 0.00 176.35 176.70 1nti h LYS 16 N 0.85 0.56 -5.87 1.70 1.79 -0.37 -3.42 116.57 111.82 1nti h LYS 16 Ca -0.51 -0.03 -0.58 0.00 -2.18 0.00 0.00 60.65 57.35 1nti h LYS 16 Cb 1.31 -0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.73 1nti h LYS 16 CO 0.55 0.37 -0.54 0.99 -1.08 0.00 0.00 179.45 179.74 1nti s THR 17 N -5.73 2.30 -0.35 -0.16 2.01 -1.26 -5.08 115.64 107.37 1nti s THR 17 Ca -0.10 -1.81 -0.18 0.00 0.31 0.00 0.00 61.69 59.91 1nti s THR 17 Cb 0.26 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1nti s THR 17 CO 0.80 -0.04 0.49 -0.75 -0.69 0.00 0.00 174.62 174.43 1nti s LYS 18 N -3.83 3.62 0.66 4.92 2.20 -1.26 -5.02 119.74 121.02 1nti s LYS 18 Ca 0.39 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.68 1nti s LYS 18 Cb 0.05 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1nti s LYS 18 CO 0.21 -0.62 1.05 -1.25 -0.36 0.00 0.00 175.35 174.38 1nti s PRO 19 N 2.33 3.20 0.73 4.03 0.04 -1.26 -5.01 135.00 139.05 1nti s PRO 19 Ca 0.17 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 1nti s PRO 19 Cb -0.16 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1nti s PRO 19 CO 0.13 -0.89 1.16 0.00 0.04 0.00 0.00 177.00 177.44 1nti n ALA 20 N -2.82 0.29 -0.26 8.56 0.00 -1.26 -4.63 120.51 120.39 1nti n ALA 20 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1nti n ALA 20 Cb 0.54 -2.23 0.08 0.00 0.00 0.00 0.00 19.45 17.83 1nti n ALA 20 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nti h ASP 21 N -0.24 -0.82 -0.41 0.00 2.03 -1.99 0.21 116.42 115.21 1nti h ASP 21 Ca -0.48 0.23 0.08 0.00 -0.73 0.00 0.00 57.03 56.13 1nti h ASP 21 Cb 1.32 0.51 -0.08 0.00 -0.83 0.00 0.00 39.33 40.25 1nti h ASP 21 CO 0.48 -0.26 -0.08 -0.33 -1.03 0.00 0.00 179.24 178.02 1nti h GLU 22 N -0.03 0.02 -0.24 4.15 5.08 -1.98 0.35 114.58 121.93 1nti h GLU 22 Ca 0.35 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.76 1nti h GLU 22 Cb 0.56 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1nti h GLU 22 CO -0.79 0.01 -0.09 0.93 -1.00 0.00 0.00 179.01 178.07 1nti h GLU 23 N 0.02 -0.05 -0.14 2.33 4.39 -0.98 0.86 114.58 121.01 1nti h GLU 23 Ca 0.20 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1nti h GLU 23 Cb 0.30 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 1nti h GLU 23 CO -0.40 -0.03 -0.14 0.52 -1.16 0.00 0.00 179.01 177.80 1nti h MET 24 N -0.05 -0.16 -0.04 2.33 2.86 0.26 0.11 114.93 120.24 1nti h MET 24 Ca 0.12 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1nti h MET 24 Cb 0.24 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1nti h MET 24 CO -0.28 -0.10 -0.23 -0.07 1.06 0.00 0.00 176.91 177.29 1nti h LEU 25 N -0.16 -0.70 0.56 1.22 3.38 0.18 0.20 115.31 119.99 1nti h LEU 25 Ca 0.10 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1nti h LEU 25 Cb 0.30 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1nti h LEU 25 CO -0.24 -0.30 -0.41 0.15 0.09 0.00 0.00 178.44 177.73 1nti h PHE 26 N -0.34 -1.11 0.00 1.13 3.57 -0.65 0.16 116.94 119.70 1nti h PHE 26 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1nti h PHE 26 Cb 0.45 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1nti h PHE 26 CO -0.29 -0.60 0.00 -0.89 -2.23 0.00 0.00 178.31 174.30 1nti n ILE 27 N -5.53 0.00 -0.23 1.41 2.08 0.01 -0.56 119.36 116.55 1nti n ILE 27 Ca -0.12 0.86 0.03 0.00 0.56 0.00 0.00 62.75 64.09 1nti n ILE 27 Cb 0.42 -1.61 0.08 0.00 -0.75 0.00 0.00 39.64 37.79 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 -0.55 0.21 0.49 1.39 4.19 0.66 0.07 117.16 123.62 1nti n TYR 28 Ca 0.00 0.77 -0.20 0.00 3.31 0.00 0.00 57.90 61.77 1nti n TYR 28 Cb 0.00 -0.85 -0.10 0.00 0.49 0.00 0.00 39.34 38.88 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 -1.17 -0.33 2.98 4.64 -0.36 0.21 113.55 119.51 1nti h SER 29 Ca 0.29 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.68 1nti h SER 29 Cb 0.45 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1nti h SER 29 CO -0.64 -0.78 0.22 0.45 -0.87 0.00 0.00 176.83 175.21 1nti h HIS 30 N -1.28 0.37 -0.18 4.77 3.86 0.84 -0.55 115.15 122.98 1nti h HIS 30 Ca -0.12 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1nti h HIS 30 Cb 1.00 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1nti h HIS 30 CO -0.05 0.23 -0.09 -0.92 0.86 0.00 0.00 177.93 177.96 1nti h TYR 31 N 0.39 0.44 -0.31 2.45 3.20 0.04 0.42 116.97 123.60 1nti h TYR 31 Ca 0.13 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nti h TYR 31 Cb 0.04 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1nti h TYR 31 CO -0.00 0.69 0.16 0.87 -1.64 0.00 0.00 178.16 178.24 1nti h LYS 32 N 0.07 0.44 -0.22 1.82 1.79 0.29 0.16 116.57 120.91 1nti h LYS 32 Ca 0.04 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 1nti h LYS 32 Cb 0.57 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1nti h LYS 32 CO 0.03 0.40 -0.54 0.37 -1.08 0.00 0.00 179.45 178.63 1nti h GLN 33 N 0.38 0.66 0.00 3.15 5.75 -1.10 0.25 115.11 124.20 1nti h GLN 33 Ca 0.11 -0.41 -0.03 0.00 -0.15 0.00 0.00 58.65 58.17 1nti h GLN 33 Cb 0.10 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1nti h GLN 33 CO -0.02 1.03 -0.14 0.00 -2.65 0.00 0.00 178.83 177.05 1nti h ALA 34 N 0.89 1.27 0.00 3.38 0.00 0.21 -3.33 119.26 121.68 1nti h ALA 34 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nti h ALA 34 Cb 1.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nti h ALA 34 CO 0.11 0.18 -1.02 0.25 0.00 0.00 0.00 179.25 178.77 1nti n THR 35 N -3.65 0.02 -0.10 0.00 -2.24 0.52 -4.83 114.28 103.99 1nti n THR 35 Ca -0.02 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 1nti n THR 35 Cb 0.27 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 1nti n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nti n VAL 36 N -2.70 1.52 0.00 2.28 0.31 0.65 -5.08 118.33 115.33 1nti n VAL 36 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1nti n VAL 36 Cb 0.51 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1nti n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nti n GLY 37 N 1.44 0.52 3.68 2.92 0.00 0.18 -5.00 105.19 108.93 1nti n GLY 37 Ca -0.31 -2.03 -0.46 0.00 0.00 0.00 0.00 46.02 43.22 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 3.32 -4.55 1.61 8.00 -1.22 -3.97 116.55 119.74 1nti n ASP 38 Ca 0.00 1.04 -0.52 0.00 0.71 0.00 0.00 54.79 56.02 1nti n ASP 38 Cb 0.00 -1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 39.60 1nti n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nti n ILE 39 N 4.04 0.28 -1.32 0.53 3.06 -1.26 -4.75 119.36 119.93 1nti n ILE 39 Ca 0.19 -0.18 0.08 0.00 -2.50 0.00 0.00 62.75 60.33 1nti n ILE 39 Cb 0.30 -1.57 0.18 0.00 0.54 0.00 0.00 39.64 39.09 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 8.20 2.08 -4.90 9.51 0.23 -1.26 -4.98 115.26 124.14 1nti n ASN 40 Ca 0.35 -3.48 -0.24 0.00 -0.53 0.00 0.00 54.58 50.68 1nti n ASN 40 Cb 0.21 -0.48 -0.03 0.00 -2.08 0.00 0.00 39.78 37.40 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 -3.05 4.96 -0.40 5.53 -4.23 -1.26 -5.02 115.64 112.16 1nti s THR 41 Ca 0.35 -1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 59.57 1nti s THR 41 Cb 0.33 -3.62 -0.07 0.00 1.34 0.00 0.00 72.50 70.47 1nti s THR 41 CO -0.02 -0.22 2.34 -0.62 -0.54 0.00 0.00 174.62 175.56 1nti n GLU 42 N -0.91 1.34 -2.11 3.99 1.02 -1.26 -4.93 120.64 117.78 1nti n GLU 42 Ca -0.08 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1nti n GLU 42 Cb 0.56 -3.19 -0.03 0.00 -0.02 0.00 0.00 31.44 28.76 1nti n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1nti s ARG 43 N 7.40 4.29 0.70 3.49 3.52 -1.26 -5.03 118.95 132.07 1nti s ARG 43 Ca 1.02 2.15 -0.04 0.00 -0.13 0.00 0.00 55.73 58.72 1nti s ARG 43 Cb -0.35 -3.23 0.08 0.00 -1.56 0.00 0.00 34.95 29.89 1nti s ARG 43 CO 0.33 -0.48 0.99 -1.25 -0.81 0.00 0.00 175.30 174.07 1nti s PRO 44 N 1.12 2.01 0.00 5.12 0.04 -1.26 -5.10 135.00 136.94 1nti s PRO 44 Ca 0.66 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1nti s PRO 44 Cb -0.39 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1nti s PRO 44 CO 0.30 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1nti n GLY 45 N -2.85 -0.08 1.61 0.56 0.00 -1.26 -5.04 105.19 98.12 1nti n GLY 45 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -2.37 0.08 1.61 0.00 -1.26 -4.99 117.12 110.19 1nti n MET 46 Ca 0.00 -0.79 -0.23 0.00 -0.00 0.00 0.00 57.70 56.68 1nti n MET 46 Cb 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 33.22 32.27 1nti n MET 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1nti h LEU 47 N 0.00 0.64 0.00 -0.89 5.85 -2.01 -3.46 115.31 115.44 1nti h LEU 47 Ca -0.19 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.61 1nti h LEU 47 Cb 0.60 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1nti h LEU 47 CO 0.12 1.77 0.00 -0.67 -0.34 0.00 0.00 178.44 179.32 1nti n ASP 48 N -3.60 0.00 -4.81 1.25 -0.08 -1.26 -4.30 116.55 103.75 1nti n ASP 48 Ca -0.23 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.68 1nti n ASP 48 Cb 1.08 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.47 1nti n ASP 48 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1nti s PHE 49 N 0.00 3.53 -1.43 -0.67 -0.71 -1.26 -4.98 117.98 112.46 1nti s PHE 49 Ca 0.00 0.50 -0.14 0.00 -1.04 0.00 0.00 56.93 56.25 1nti s PHE 49 Cb 0.00 -2.09 0.06 0.00 -1.21 0.00 0.00 43.02 39.78 1nti s PHE 49 CO 0.00 0.52 2.15 1.63 -1.34 0.00 0.00 175.22 178.18 1nti n LYS 50 N 2.69 2.97 0.01 1.99 5.02 -1.26 -2.15 118.16 127.43 1nti n LYS 50 Ca -0.17 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 1nti n LYS 50 Cb 0.53 -3.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.28 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 4.04 -0.02 0.32 0.72 0.00 -1.26 -4.79 105.19 104.19 1nti n GLY 51 Ca 0.50 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.62 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 0.05 -0.35 1.61 3.64 -1.64 0.50 116.57 120.38 1nti h LYS 52 Ca 0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1nti h LYS 52 Cb 0.08 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 1nti h LYS 52 CO 0.00 0.03 -0.14 0.00 -2.27 0.00 0.00 179.45 177.08 1nti h ALA 53 N 1.87 0.15 -0.66 5.00 0.00 -1.89 0.88 119.26 124.62 1nti h ALA 53 Ca 0.51 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1nti h ALA 53 Cb 0.97 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1nti h ALA 53 CO -0.83 -0.51 0.44 -0.22 0.00 0.00 0.00 179.25 178.13 1nti h LYS 54 N -0.07 0.87 0.83 0.00 1.63 -0.57 0.50 116.57 119.77 1nti h LYS 54 Ca 0.17 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1nti h LYS 54 Cb 0.33 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1nti h LYS 54 CO -0.40 0.58 -0.40 2.35 -3.45 0.00 0.00 179.45 178.13 1nti h TRP 55 N 0.90 -1.04 -0.76 1.91 7.01 0.85 -1.08 115.95 123.73 1nti h TRP 55 Ca 0.24 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.35 1nti h TRP 55 Cb -0.10 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 27.21 1nti h TRP 55 CO -0.03 -0.64 0.35 -0.44 -2.79 0.00 0.00 178.44 174.89 1nti h ASP 56 N -1.16 0.39 -0.92 2.65 3.32 -0.81 0.20 116.42 120.10 1nti h ASP 56 Ca -0.11 0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.19 1nti h ASP 56 Cb 0.86 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.37 1nti h ASP 56 CO 0.19 0.18 0.59 0.00 -1.72 0.00 0.00 179.24 178.48 1nti h ALA 57 N 1.52 1.84 0.14 3.45 0.00 0.43 0.39 119.26 127.04 1nti h ALA 57 Ca 0.41 0.03 -0.27 0.00 0.00 0.00 0.00 54.91 55.08 1nti h ALA 57 Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nti h ALA 57 CO -0.36 -0.12 -1.31 2.35 0.00 0.00 0.00 179.25 179.82 1nti h TRP 58 N 0.68 0.55 -0.75 0.00 7.01 0.26 -3.33 115.95 120.37 1nti h TRP 58 Ca 0.48 -0.40 0.16 0.00 2.11 0.00 0.00 58.89 61.24 1nti h TRP 58 Cb 0.81 -0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 27.74 1nti h TRP 58 CO -0.00 1.51 0.22 -0.97 -2.79 0.00 0.00 178.44 176.41 1nti h ASN 59 N -0.24 0.10 -0.83 2.65 -1.24 0.57 0.42 115.58 117.01 1nti h ASN 59 Ca -0.27 0.14 0.24 0.00 0.71 0.00 0.00 56.30 57.12 1nti h ASN 59 Cb 1.81 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.98 1nti h ASN 59 CO 0.11 0.00 0.74 -0.08 -1.29 0.00 0.00 177.43 176.91 1nti h GLU 60 N 0.32 0.00 0.00 6.67 4.57 -0.38 0.60 114.58 126.36 1nti h GLU 60 Ca 0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1nti h GLU 60 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1nti h GLU 60 CO -0.48 0.00 -1.10 1.28 -1.18 0.00 0.00 179.01 177.53 1nti n LEU 61 N -3.84 0.82 0.00 1.64 4.77 0.14 -4.85 117.00 115.69 1nti n LEU 61 Ca 0.17 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1nti n LEU 61 Cb 1.03 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1nti n LEU 61 CO 0.32 0.20 0.00 1.17 -1.33 0.00 0.00 177.39 177.75 1nti n LYS 62 N -1.62 0.00 -0.07 3.23 4.81 0.21 -0.02 118.16 124.70 1nti n LYS 62 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1nti n LYS 62 Cb 0.37 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.49 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 -0.79 3.42 3.22 3.14 0.00 -1.26 -3.43 105.19 109.48 1nti n GLY 63 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.52 0.00 -3.55 2.61 -1.04 0.98 -4.96 114.28 107.79 1nti n THR 64 Ca 0.07 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.05 61.50 1nti n THR 64 Cb 0.40 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 68.13 1nti n THR 64 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nti s SER 65 N -2.18 6.35 0.19 8.00 1.04 -1.26 -4.98 113.70 120.86 1nti s SER 65 Ca 0.55 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 57.14 1nti s SER 65 Cb -0.12 -2.17 0.09 0.00 0.10 0.00 0.00 66.02 63.92 1nti s SER 65 CO 0.55 0.06 1.55 0.50 0.98 0.00 0.00 173.24 176.89 1nti h LYS 66 N 6.99 -0.03 -0.27 4.02 3.64 -1.91 -1.47 116.57 127.54 1nti h LYS 66 Ca -0.39 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.05 1nti h LYS 66 Cb 1.16 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1nti h LYS 66 CO 0.73 -0.02 -0.22 0.93 -2.27 0.00 0.00 179.45 178.60 1nti h GLU 67 N -0.03 -0.21 -0.68 1.90 5.08 -1.91 0.25 114.58 118.97 1nti h GLU 67 Ca 0.25 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1nti h GLU 67 Cb 0.52 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1nti h GLU 67 CO -0.93 -0.14 0.39 -0.44 -1.00 0.00 0.00 179.01 176.90 1nti h ASP 68 N -0.21 0.84 0.06 1.42 5.19 -1.71 0.28 116.42 122.28 1nti h ASP 68 Ca 0.15 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1nti h ASP 68 Cb 0.44 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1nti h ASP 68 CO -0.40 0.67 -0.19 0.00 -3.12 0.00 0.00 179.24 176.21 1nti h ALA 69 N 1.20 -0.28 0.09 3.45 0.00 -0.73 0.32 119.26 123.30 1nti h ALA 69 Ca 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1nti h ALA 69 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1nti h ALA 69 CO -0.04 -0.70 -0.44 0.52 0.00 0.00 0.00 179.25 178.59 1nti h MET 70 N -0.34 -0.59 -0.12 0.00 2.86 0.42 0.18 114.93 117.34 1nti h MET 70 Ca 0.04 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1nti h MET 70 Cb 0.38 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1nti h MET 70 CO -0.14 -0.40 -0.15 0.87 1.06 0.00 0.00 176.91 178.16 1nti h LYS 71 N -0.62 -0.09 -0.57 1.72 1.57 -0.04 0.72 116.57 119.26 1nti h LYS 71 Ca -0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1nti h LYS 71 Cb 0.62 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.87 1nti h LYS 71 CO -0.25 -0.06 0.06 0.00 -0.57 0.00 0.00 179.45 178.63 1nti h ALA 72 N -0.93 0.62 -0.04 3.86 0.00 -0.33 0.11 119.26 122.54 1nti h ALA 72 Ca 0.02 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1nti h ALA 72 Cb 0.16 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1nti h ALA 72 CO -0.17 -0.35 -0.29 -0.92 0.00 0.00 0.00 179.25 177.52 1nti h TYR 73 N 0.18 -0.80 0.74 0.00 5.03 -0.03 0.37 116.97 122.46 1nti h TYR 73 Ca 0.30 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.61 1nti h TYR 73 Cb 0.46 0.36 -0.00 0.00 1.55 0.00 0.00 36.73 39.09 1nti h TYR 73 CO -0.29 -0.38 -0.46 0.82 -1.32 0.00 0.00 178.16 176.53 1nti h ILE 74 N -0.42 0.08 -0.40 1.81 2.04 0.27 0.31 117.51 121.21 1nti h ILE 74 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1nti h ILE 74 Cb 0.52 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1nti h ILE 74 CO -0.28 0.00 0.07 0.44 0.00 0.00 0.00 178.15 178.38 1nti h ASP 75 N -1.13 -0.02 -0.41 1.72 3.32 -0.71 0.16 116.42 119.36 1nti h ASP 75 Ca -0.10 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1nti h ASP 75 Cb 0.91 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.49 1nti h ASP 75 CO 0.09 0.03 -0.03 0.50 -1.72 0.00 0.00 179.24 178.11 1nti h LYS 76 N 0.19 0.07 -0.30 3.56 1.63 0.01 -0.65 116.57 121.08 1nti h LYS 76 Ca 0.19 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1nti h LYS 76 Cb 0.24 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1nti h LYS 76 CO -0.26 0.05 0.12 0.28 -3.45 0.00 0.00 179.45 176.19 1nti h VAL 77 N 0.07 0.95 -0.81 2.00 2.07 0.14 -0.29 116.25 120.39 1nti h VAL 77 Ca 0.20 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.78 1nti h VAL 77 Cb 0.29 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 30.62 1nti h VAL 77 CO -0.36 0.05 0.36 -0.08 0.02 0.00 0.00 177.57 177.56 1nti h GLU 78 N 0.27 0.48 0.41 1.57 4.81 0.67 0.71 114.58 123.50 1nti h GLU 78 Ca 0.13 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1nti h GLU 78 Cb 0.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1nti h GLU 78 CO -0.12 0.32 -0.42 0.93 -0.73 0.00 0.00 179.01 179.00 1nti h GLU 79 N 0.50 -0.81 -0.78 1.92 5.08 -0.02 0.17 114.58 120.63 1nti h GLU 79 Ca 0.45 0.06 0.21 0.00 -1.00 0.00 0.00 59.36 59.08 1nti h GLU 79 Cb 0.70 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 1nti h GLU 79 CO -0.41 -0.54 0.55 -0.07 -1.00 0.00 0.00 179.01 177.54 1nti h LEU 80 N -0.84 0.09 -0.14 1.33 3.38 0.93 0.29 115.31 120.35 1nti h LEU 80 Ca -0.04 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1nti h LEU 80 Cb 0.75 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1nti h LEU 80 CO -0.07 0.04 -0.54 0.50 0.09 0.00 0.00 178.44 178.46 1nti h LYS 81 N 0.10 0.61 -0.04 1.13 3.64 0.21 0.35 116.57 122.56 1nti h LYS 81 Ca 0.38 -0.47 -0.19 0.00 -1.27 0.00 0.00 60.65 59.09 1nti h LYS 81 Cb 1.37 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1nti h LYS 81 CO -0.04 1.10 -0.80 0.87 -2.27 0.00 0.00 179.45 178.30 1nti h LYS 82 N 0.26 0.33 -0.18 1.90 1.57 0.25 0.45 116.57 121.16 1nti h LYS 82 Ca -0.03 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 1nti h LYS 82 Cb 1.18 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1nti h LYS 82 CO 0.11 0.98 -0.33 -0.22 -0.57 0.00 0.00 179.45 179.42 1nti h LYS 83 N 0.21 0.55 0.00 3.15 3.64 -0.41 -3.39 116.57 120.31 1nti h LYS 83 Ca -0.04 -0.35 -0.22 0.00 -1.27 0.00 0.00 60.65 58.77 1nti h LYS 83 Cb 1.40 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 1nti h LYS 83 CO 0.13 0.95 -1.82 0.66 -2.27 0.00 0.00 179.45 177.10 1nti n TYR 84 N -4.32 0.00 -0.45 1.91 4.01 0.12 -5.06 117.16 113.37 1nti n TYR 84 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.74 1nti n TYR 84 Cb 0.49 -0.58 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 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 2.42 -2.48 0.00 2.72 0.00 0.16 -4.25 105.19 103.75 1nti n GLY 85 Ca -0.21 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83