#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 -0.21 -1.46 -0.06 -1.26 -4.91 117.38 109.48 1nti n GLN 2 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 1nti n GLN 2 Cb 0.00 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.23 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti h ALA 3 N 0.00 0.29 -0.89 1.69 0.00 -2.04 0.14 119.26 118.44 1nti h ALA 3 Ca 0.00 0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.32 1nti h ALA 3 Cb 0.00 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1nti h ALA 3 CO 0.00 -0.50 0.58 1.05 0.00 0.00 0.00 179.25 180.38 1nti h GLU 4 N -0.06 0.49 0.04 0.00 9.09 -1.98 0.38 114.58 122.54 1nti h GLU 4 Ca 0.29 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.67 1nti h GLU 4 Cb 0.51 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 1nti h GLU 4 CO -0.67 0.32 -0.02 0.35 0.05 0.00 0.00 179.01 179.04 1nti h PHE 5 N 0.50 -0.05 -0.84 2.06 3.57 -1.15 -1.17 116.94 119.86 1nti h PHE 5 Ca 0.46 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.05 1nti h PHE 5 Cb 1.01 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 1nti h PHE 5 CO -0.00 0.60 0.50 -0.44 -2.23 0.00 0.00 178.31 176.74 1nti h ASP 6 N -0.89 0.74 0.11 0.41 3.32 -0.62 0.33 116.42 119.82 1nti h ASP 6 Ca -0.01 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1nti h ASP 6 Cb 0.67 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1nti h ASP 6 CO 0.01 0.44 -0.37 0.50 -1.72 0.00 0.00 179.24 178.10 1nti h LYS 7 N 0.86 -0.57 -0.41 3.56 3.11 -0.30 0.41 116.57 123.22 1nti h LYS 7 Ca 0.39 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.35 1nti h LYS 7 Cb 0.30 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 31.58 1nti h LYS 7 CO -0.22 -0.38 -0.09 0.00 -2.81 0.00 0.00 179.45 175.95 1nti h ALA 8 N -0.02 0.29 -0.38 5.00 0.00 0.81 0.24 119.26 125.21 1nti h ALA 8 Ca 0.03 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1nti h ALA 8 Cb 0.63 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1nti h ALA 8 CO -0.22 -0.44 -0.12 0.00 0.00 0.00 0.00 179.25 178.47 1nti h ALA 9 N 1.41 0.21 -0.20 0.00 0.00 0.74 0.85 119.26 122.27 1nti h ALA 9 Ca 0.20 0.15 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 1nti h ALA 9 Cb 0.30 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nti h ALA 9 CO -0.42 -0.48 -0.64 1.49 0.00 0.00 0.00 179.25 179.21 1nti h GLU 10 N -0.03 0.79 0.08 0.00 4.81 0.07 -1.70 114.58 118.60 1nti h GLU 10 Ca 0.18 -0.58 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1nti h GLU 10 Cb 0.31 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1nti h GLU 10 CO -0.41 1.20 -0.22 0.93 -0.73 0.00 0.00 179.01 179.78 1nti h GLU 11 N 0.53 -0.38 -0.34 1.92 4.39 0.06 -1.89 114.58 118.86 1nti h GLU 11 Ca -0.02 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1nti h GLU 11 Cb 1.26 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.96 1nti h GLU 11 CO 0.14 -0.25 0.11 -0.24 -1.16 0.00 0.00 179.01 177.60 1nti h VAL 12 N -0.40 0.90 0.00 3.13 3.04 -0.82 -0.41 116.25 121.69 1nti h VAL 12 Ca 0.04 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1nti h VAL 12 Cb 0.44 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1nti h VAL 12 CO -0.15 0.05 0.38 0.29 -1.01 0.00 0.00 177.57 177.13 1nti n LYS 13 N -5.03 0.02 -0.71 4.17 5.02 -0.64 -0.74 118.16 120.25 1nti n LYS 13 Ca 0.01 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.61 1nti n LYS 13 Cb 0.12 -1.93 0.09 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.38 0.00 -1.98 2.13 8.25 -0.17 -4.99 115.22 117.07 1nti n HIS 14 Ca -0.00 -0.75 -0.37 0.00 -0.26 0.00 0.00 57.72 56.34 1nti n HIS 14 Cb 0.39 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.47 4.21 -0.00 2.41 4.77 0.08 -4.19 117.00 123.81 1nti n LEU 15 Ca 0.10 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 1nti n LEU 15 Cb 0.81 -1.61 0.01 0.00 -2.33 0.00 0.00 43.42 40.30 1nti n LEU 15 CO -0.02 -0.67 0.02 0.29 -1.33 0.00 0.00 177.39 175.69 1nti n LYS 16 N 7.81 0.00 -0.85 3.23 4.76 0.17 -4.51 118.16 128.77 1nti n LYS 16 Ca 0.48 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1nti n LYS 16 Cb 0.44 -0.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 1nti n LYS 16 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1nti n THR 17 N -1.20 0.00 -3.21 -0.18 -1.04 -1.24 -5.06 114.28 102.35 1nti n THR 17 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.56 1nti n THR 17 Cb 0.03 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.43 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 -1.63 3.08 0.64 -2.82 2.20 -1.26 -5.07 119.74 114.88 1nti s LYS 18 Ca 0.00 -1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 53.91 1nti s LYS 18 Cb 0.00 -4.31 -0.03 0.00 -1.51 0.00 0.00 37.83 31.98 1nti s LYS 18 CO 0.00 -1.44 1.04 -2.14 -0.36 0.00 0.00 175.35 172.45 1nti s PRO 19 N 2.02 3.40 0.08 4.03 0.02 -1.26 -5.08 135.00 138.21 1nti s PRO 19 Ca 0.09 0.80 -0.01 0.00 0.02 0.00 0.00 61.00 61.90 1nti s PRO 19 Cb -0.25 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 1nti s PRO 19 CO 0.03 -0.73 0.25 0.00 -0.33 0.00 0.00 177.00 176.22 1nti s ALA 20 N -3.14 3.96 0.11 -1.55 0.00 -1.26 -4.97 121.76 114.90 1nti s ALA 20 Ca 0.56 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1nti s ALA 20 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 1nti s ALA 20 CO 0.54 0.79 1.22 -3.47 0.00 0.00 0.00 175.76 174.84 1nti n ASP 21 N 0.28 -0.72 -0.32 0.00 2.03 -1.26 -0.12 116.55 116.43 1nti n ASP 21 Ca -0.05 1.38 0.14 0.00 0.52 0.00 0.00 54.79 56.78 1nti n ASP 21 Cb 0.51 -0.24 0.33 0.00 -0.72 0.00 0.00 41.12 41.00 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1nti h GLU 22 N 0.00 0.50 0.64 -0.67 5.08 -1.98 0.26 114.58 118.42 1nti h GLU 22 Ca 0.11 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1nti h GLU 22 Cb 0.28 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1nti h GLU 22 CO -0.64 0.33 -0.31 0.93 -1.00 0.00 0.00 179.01 178.32 1nti h GLU 23 N 0.51 -0.83 -0.85 2.33 3.07 -0.93 0.34 114.58 118.22 1nti h GLU 23 Ca 0.58 0.06 0.19 0.00 -0.50 0.00 0.00 59.36 59.69 1nti h GLU 23 Cb 1.06 0.19 -0.16 0.00 -0.84 0.00 0.00 28.75 29.00 1nti h GLU 23 CO -0.48 -0.51 -0.11 0.52 -1.40 0.00 0.00 179.01 177.03 1nti h MET 24 N -1.07 0.03 0.29 2.33 2.86 -0.26 0.37 114.93 119.48 1nti h MET 24 Ca -0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1nti h MET 24 Cb 0.71 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1nti h MET 24 CO 0.15 0.02 -0.14 -0.07 1.06 0.00 0.00 176.91 177.92 1nti h LEU 25 N 0.03 -0.33 0.05 1.22 3.38 -0.29 0.42 115.31 119.79 1nti h LEU 25 Ca 0.44 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.40 1nti h LEU 25 Cb 0.76 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1nti h LEU 25 CO -0.82 -0.17 -0.25 0.15 0.09 0.00 0.00 178.44 177.43 1nti h PHE 26 N -0.47 -0.68 0.00 1.13 3.04 0.20 0.13 116.94 120.29 1nti h PHE 26 Ca -0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1nti h PHE 26 Cb 0.35 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1nti h PHE 26 CO -0.04 -0.35 0.00 -0.89 -2.02 0.00 0.00 178.31 175.02 1nti n ILE 27 N -5.37 0.00 -0.10 1.41 2.08 0.11 -1.00 119.36 116.49 1nti n ILE 27 Ca -0.06 0.87 -0.02 0.00 0.56 0.00 0.00 62.75 64.11 1nti n ILE 27 Cb 0.28 -1.82 -0.02 0.00 -0.75 0.00 0.00 39.64 37.34 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 -0.41 -0.08 0.27 1.39 9.36 0.15 0.06 117.16 127.89 1nti n TYR 28 Ca 0.00 0.29 -0.15 0.00 3.32 0.00 0.00 57.90 61.36 1nti n TYR 28 Cb 0.00 -0.53 -0.08 0.00 -0.63 0.00 0.00 39.34 38.10 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 -0.34 2.98 4.64 -0.72 -0.09 113.55 118.97 1nti h SER 29 Ca 0.05 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1nti h SER 29 Cb 0.11 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1nti h SER 29 CO -0.22 -0.55 0.23 0.45 -0.87 0.00 0.00 176.83 175.87 1nti h HIS 30 N -0.84 0.23 -0.13 4.77 3.86 0.86 -0.17 115.15 123.73 1nti h HIS 30 Ca -0.06 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1nti h HIS 30 Cb 0.71 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 1nti h HIS 30 CO -0.16 0.13 -0.05 -0.92 0.86 0.00 0.00 177.93 177.79 1nti h TYR 31 N 0.23 0.30 0.24 2.45 5.03 0.08 0.28 116.97 125.57 1nti h TYR 31 Ca 0.15 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1nti h TYR 31 Cb 0.30 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1nti h TYR 31 CO -0.00 0.57 -0.12 0.87 -1.32 0.00 0.00 178.16 178.17 1nti h LYS 32 N -0.07 -0.31 -0.75 1.82 1.79 0.00 0.88 116.57 119.93 1nti h LYS 32 Ca 0.03 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1nti h LYS 32 Cb 0.49 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.15 1nti h LYS 32 CO 0.02 -0.20 0.45 0.37 -1.08 0.00 0.00 179.45 179.01 1nti h GLN 33 N -0.34 0.82 0.00 3.15 5.75 -0.97 0.51 115.11 124.03 1nti h GLN 33 Ca -0.03 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 1nti h GLN 33 Cb 0.26 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1nti h GLN 33 CO 0.05 0.54 -0.39 0.00 -2.65 0.00 0.00 178.83 176.39 1nti h ALA 34 N 1.36 1.25 0.00 3.38 0.00 -0.18 -3.24 119.26 121.83 1nti h ALA 34 Ca 0.33 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1nti h ALA 34 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nti h ALA 34 CO -0.16 0.49 -1.35 0.25 0.00 0.00 0.00 179.25 178.48 1nti n THR 35 N -3.93 0.35 0.05 0.00 -2.24 0.28 -4.82 114.28 103.97 1nti n THR 35 Ca -0.02 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 1nti n THR 35 Cb 0.44 -1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 67.43 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 -0.10 1.15 0.00 2.28 2.07 -0.31 -3.51 116.25 117.83 1nti h VAL 36 Ca -0.15 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1nti h VAL 36 Cb 1.18 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1nti h VAL 36 CO -0.06 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.89 1nti n GLY 37 N 1.75 -0.48 3.68 2.17 0.00 0.64 -4.97 105.19 107.97 1nti n GLY 37 Ca -0.22 -2.08 -0.46 0.00 0.00 0.00 0.00 46.02 43.27 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 3.66 -4.53 1.61 8.00 -1.23 -3.81 116.55 120.26 1nti n ASP 38 Ca 0.00 0.97 -0.54 0.00 0.71 0.00 0.00 54.79 55.92 1nti n ASP 38 Cb 0.00 -1.43 -0.06 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 5.04 0.31 0.00 0.53 3.06 -1.26 -4.85 119.36 122.20 1nti n ILE 39 Ca 0.21 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 1nti n ILE 39 Cb 0.33 -0.37 0.00 0.00 0.54 0.00 0.00 39.64 40.14 1nti n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nti n ASN 40 N 1.92 0.00 -3.64 9.51 5.03 -1.26 -5.02 115.26 121.81 1nti n ASN 40 Ca 0.19 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.54 1nti n ASN 40 Cb 0.15 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.84 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1nti s THR 41 N 0.00 0.00 -0.02 3.41 -4.23 -1.26 -5.02 115.64 108.51 1nti s THR 41 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1nti s THR 41 Cb 0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1nti s THR 41 CO 0.00 0.00 0.55 1.21 -0.54 0.00 0.00 174.62 175.84 1nti n GLU 42 N 2.89 0.09 -2.10 3.99 0.00 -1.26 -5.10 120.64 119.14 1nti n GLU 42 Ca -0.15 -0.49 -0.38 0.00 0.00 0.00 0.00 57.16 56.14 1nti n GLU 42 Cb 0.56 0.46 -0.03 0.00 0.00 0.00 0.00 31.44 32.43 1nti n GLU 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1nti s ARG 43 N 0.01 2.69 0.55 5.31 3.52 -1.26 -4.87 118.95 124.90 1nti s ARG 43 Ca 0.01 0.45 -0.19 0.00 -0.13 0.00 0.00 55.73 55.87 1nti s ARG 43 Cb 0.03 -4.40 -0.08 0.00 -1.56 0.00 0.00 34.95 28.93 1nti s ARG 43 CO -0.01 -2.69 0.64 -0.35 -0.81 0.00 0.00 175.30 172.08 1nti n PRO 44 N 9.20 0.64 -3.45 5.12 -0.04 -1.26 -5.00 135.00 140.21 1nti n PRO 44 Ca 0.19 0.25 -0.19 0.00 -0.04 0.00 0.00 63.50 63.71 1nti n PRO 44 Cb 0.51 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 1nti n PRO 44 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1nti s GLY 45 N -1.14 1.78 0.00 0.55 0.00 -1.26 -4.91 107.32 102.35 1nti s GLY 45 Ca 0.69 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1nti s GLY 45 CO 0.53 -1.49 0.00 1.03 0.00 0.00 0.00 173.10 173.18 1nti n MET 46 N -1.62 0.00 0.03 2.90 2.81 -1.26 -1.03 117.12 118.94 1nti n MET 46 Ca 0.02 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1nti n MET 46 Cb 0.59 0.00 0.20 0.00 -0.71 0.00 0.00 33.22 33.30 1nti n MET 46 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1nti h LEU 47 N 0.00 0.46-10.17 4.03 5.85 -2.03 -3.45 115.31 109.99 1nti h LEU 47 Ca 0.00 -0.16 -0.46 0.00 0.84 0.00 0.00 57.88 58.10 1nti h LEU 47 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1nti h LEU 47 CO 0.00 0.73 -0.43 -0.62 -0.34 0.00 0.00 178.44 177.78 1nti s ASP 48 N -6.82 6.15 0.00 1.25 2.15 -0.20 -5.06 116.67 114.14 1nti s ASP 48 Ca -0.07 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.89 1nti s ASP 48 Cb 0.14 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 1nti s ASP 48 CO 0.79 -0.13 0.00 0.49 -0.17 0.00 0.00 175.17 176.15 1nti n PHE 49 N -1.42 0.00 0.34 -5.34 3.72 -1.26 -4.74 117.46 108.76 1nti n PHE 49 Ca -0.07 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.54 1nti n PHE 49 Cb 0.57 0.23 1.12 0.00 -0.94 0.00 0.00 39.48 40.47 1nti n PHE 49 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1nti h LYS 50 N 0.00 0.00 -0.12 -1.08 1.57 -2.01 -1.27 116.57 113.66 1nti h LYS 50 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1nti h LYS 50 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1nti h LYS 50 CO 0.00 0.00 -0.09 0.78 -0.57 0.00 0.00 179.45 179.57 1nti h GLY 51 N 0.00 0.30 0.13 3.86 0.00 -2.01 -2.25 103.07 103.11 1nti h GLY 51 Ca 0.00 -0.29 0.23 0.00 0.00 0.00 0.00 47.33 47.27 1nti h GLY 51 CO -0.00 0.27 0.63 1.70 0.00 0.00 0.00 176.54 179.14 1nti h LYS 52 N -0.09 0.36 0.81 4.80 3.64 -1.52 0.98 116.57 125.54 1nti h LYS 52 Ca 0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1nti h LYS 52 Cb 0.59 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1nti h LYS 52 CO 0.02 0.24 -0.39 0.00 -2.27 0.00 0.00 179.45 177.05 1nti h ALA 53 N 1.60 -1.12 -0.83 5.00 0.00 -1.30 0.95 119.26 123.55 1nti h ALA 53 Ca 0.51 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1nti h ALA 53 Cb 1.35 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 19.43 1nti h ALA 53 CO -0.20 -1.04 0.20 0.87 0.00 0.00 0.00 179.25 179.08 1nti h LYS 54 N -1.25 0.21 0.76 0.00 6.56 -0.67 0.40 116.57 122.59 1nti h LYS 54 Ca -0.11 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.43 1nti h LYS 54 Cb 0.83 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.45 1nti h LYS 54 CO 0.18 0.14 -0.36 2.35 -2.06 0.00 0.00 179.45 179.70 1nti h TRP 55 N 0.22 -0.94 -0.81 -1.35 7.01 -0.76 0.21 115.95 119.53 1nti h TRP 55 Ca 0.50 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.53 1nti h TRP 55 Cb 0.96 0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 28.28 1nti h TRP 55 CO -0.28 -0.59 0.51 -0.44 -2.79 0.00 0.00 178.44 174.85 1nti h ASP 56 N -1.20 0.81 -0.84 2.65 3.32 -0.56 0.43 116.42 121.04 1nti h ASP 56 Ca -0.10 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.09 1nti h ASP 56 Cb 0.78 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 1nti h ASP 56 CO 0.17 0.54 0.55 0.00 -1.72 0.00 0.00 179.24 178.78 1nti h ALA 57 N 1.37 1.88 0.02 3.45 0.00 -0.09 0.36 119.26 126.25 1nti h ALA 57 Ca 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nti h ALA 57 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1nti h ALA 57 CO -0.15 -0.09 -0.01 2.35 0.00 0.00 0.00 179.25 181.35 1nti h TRP 58 N 0.64 -0.03 -0.98 0.00 7.01 0.15 -3.28 115.95 119.47 1nti h TRP 58 Ca 0.41 -0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.68 1nti h TRP 58 Cb 0.69 0.01 -0.18 0.00 -2.10 0.00 0.00 29.16 27.58 1nti h TRP 58 CO -0.00 0.32 0.04 -0.97 -2.79 0.00 0.00 178.44 175.03 1nti h ASN 59 N -1.00 -0.46 -0.47 2.65 -1.24 0.43 0.58 115.58 116.08 1nti h ASN 59 Ca -0.00 0.27 0.14 0.00 0.71 0.00 0.00 56.30 57.42 1nti h ASN 59 Cb 0.36 0.47 -0.02 0.00 0.73 0.00 0.00 38.32 39.86 1nti h ASN 59 CO 0.01 -0.34 0.48 -0.33 -1.29 0.00 0.00 177.43 175.95 1nti h GLU 60 N 0.02 0.00 0.00 6.67 5.08 -0.39 -0.35 114.58 125.61 1nti h GLU 60 Ca 0.59 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.81 1nti h GLU 60 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1nti h GLU 60 CO -0.90 0.00 -1.98 1.28 -1.00 0.00 0.00 179.01 176.40 1nti n LEU 61 N -3.77 0.17 0.00 1.33 4.77 0.19 -4.82 117.00 114.87 1nti n LEU 61 Ca 0.09 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1nti n LEU 61 Cb 0.67 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1nti n LEU 61 CO 0.29 0.17 0.00 1.17 -1.33 0.00 0.00 177.39 177.68 1nti n LYS 62 N -2.53 0.00 0.00 3.23 4.81 -0.14 -0.11 118.16 123.43 1nti n LYS 62 Ca -0.14 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.31 1nti n LYS 62 Cb 0.79 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.85 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 -0.76 -1.11 3.56 3.14 0.00 -1.26 -3.49 105.19 105.27 1nti n GLY 63 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.06 2.59 -2.11 2.61 -1.04 0.85 -4.85 114.28 112.27 1nti n THR 64 Ca 0.01 -0.41 -0.40 0.00 -2.04 0.00 0.00 64.05 61.21 1nti n THR 64 Cb 0.03 -0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 1nti n THR 64 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nti s SER 65 N -1.50 6.58 0.35 8.00 0.15 -1.26 -4.80 113.70 121.22 1nti s SER 65 Ca 0.71 2.64 0.16 0.00 0.70 0.00 0.00 55.95 60.16 1nti s SER 65 Cb -0.36 -2.64 1.17 0.00 -1.71 0.00 0.00 66.02 62.48 1nti s SER 65 CO 0.52 -0.66 1.62 0.07 1.20 0.00 0.00 173.24 175.99 1nti h LYS 66 N 3.05 0.13 -0.29 5.44 2.10 -1.89 0.42 116.57 125.54 1nti h LYS 66 Ca -0.49 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 1nti h LYS 66 Cb 1.23 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1nti h LYS 66 CO 0.64 0.09 0.07 0.93 -2.00 0.00 0.00 179.45 179.18 1nti h GLU 67 N 0.14 0.48 -0.37 0.07 5.08 -1.90 0.23 114.58 118.30 1nti h GLU 67 Ca 0.77 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.98 1nti h GLU 67 Cb 1.89 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 1nti h GLU 67 CO -0.71 0.56 0.08 -0.44 -1.00 0.00 0.00 179.01 177.50 1nti h ASP 68 N 0.31 0.56 0.55 1.42 3.32 -0.58 0.28 116.42 122.29 1nti h ASP 68 Ca 0.09 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1nti h ASP 68 Cb 0.30 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1nti h ASP 68 CO 0.00 0.65 -0.42 0.00 -1.72 0.00 0.00 179.24 177.76 1nti h ALA 69 N 0.93 -1.00 -0.32 3.45 0.00 -0.99 0.29 119.26 121.62 1nti h ALA 69 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nti h ALA 69 Cb 0.31 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1nti h ALA 69 CO 0.00 -1.09 -0.47 0.52 0.00 0.00 0.00 179.25 178.22 1nti h MET 70 N -0.94 -0.34 0.20 0.00 2.86 -0.16 0.14 114.93 116.69 1nti h MET 70 Ca -0.06 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1nti h MET 70 Cb 0.80 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1nti h MET 70 CO 0.01 -0.23 -0.43 0.87 1.06 0.00 0.00 176.91 178.20 1nti h LYS 71 N -0.35 -0.66 -0.53 1.72 1.57 -0.23 0.28 116.57 118.36 1nti h LYS 71 Ca 0.06 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1nti h LYS 71 Cb 0.50 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 1nti h LYS 71 CO -0.48 -0.44 0.11 0.00 -0.57 0.00 0.00 179.45 178.07 1nti h ALA 72 N -0.84 0.61 0.30 3.86 0.00 -0.31 0.15 119.26 123.03 1nti h ALA 72 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nti h ALA 72 Cb 0.65 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1nti h ALA 72 CO -0.18 -0.30 -0.29 -0.92 0.00 0.00 0.00 179.25 177.57 1nti h TYR 73 N 0.25 -0.76 0.01 0.00 5.03 -0.41 0.27 116.97 121.35 1nti h TYR 73 Ca 0.27 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.61 1nti h TYR 73 Cb 0.37 0.29 -0.04 0.00 1.55 0.00 0.00 36.73 38.91 1nti h TYR 73 CO -0.23 -0.41 -0.19 0.82 -1.32 0.00 0.00 178.16 176.82 1nti h ILE 74 N -0.61 0.54 -0.49 1.81 2.04 0.14 0.14 117.51 121.07 1nti h ILE 74 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1nti h ILE 74 Cb 0.56 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1nti h ILE 74 CO -0.05 0.00 0.24 0.44 0.00 0.00 0.00 178.15 178.79 1nti h ASP 75 N -0.32 0.64 -0.39 1.72 5.19 -0.88 0.12 116.42 122.50 1nti h ASP 75 Ca 0.06 -0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.42 1nti h ASP 75 Cb 0.39 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 39.66 1nti h ASP 75 CO -0.18 0.58 -0.12 0.50 -3.12 0.00 0.00 179.24 176.90 1nti h LYS 76 N 0.65 -0.04 0.05 3.56 1.63 0.06 0.33 116.57 122.81 1nti h LYS 76 Ca 0.17 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1nti h LYS 76 Cb 0.10 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1nti h LYS 76 CO -0.02 -0.02 -0.11 0.28 -3.45 0.00 0.00 179.45 176.13 1nti h VAL 77 N -0.04 0.75 -0.98 2.00 2.07 0.16 0.55 116.25 120.76 1nti h VAL 77 Ca 0.19 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.97 1nti h VAL 77 Cb 0.33 0.75 -0.18 0.00 -1.52 0.00 0.00 31.29 30.66 1nti h VAL 77 CO -0.42 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 176.86 1nti h GLU 78 N -0.21 0.01 0.54 1.57 4.39 0.22 0.61 114.58 121.71 1nti h GLU 78 Ca 0.02 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1nti h GLU 78 Cb 0.23 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1nti h GLU 78 CO -0.07 0.01 -0.26 0.93 -1.16 0.00 0.00 179.01 178.46 1nti h GLU 79 N 0.01 -0.70 -0.96 2.33 5.08 0.96 -1.53 114.58 119.77 1nti h GLU 79 Ca 0.59 0.05 0.26 0.00 -1.00 0.00 0.00 59.36 59.26 1nti h GLU 79 Cb 1.19 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1nti h GLU 79 CO -0.91 -0.47 0.67 -0.07 -1.00 0.00 0.00 179.01 177.23 1nti h LEU 80 N -0.73 0.16 0.16 1.33 3.38 0.36 0.25 115.31 120.21 1nti h LEU 80 Ca -0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nti h LEU 80 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1nti h LEU 80 CO 0.12 0.05 -0.08 0.50 0.09 0.00 0.00 178.44 179.12 1nti h LYS 81 N 0.15 -0.21 -0.23 1.13 3.64 0.32 0.44 116.57 121.81 1nti h LYS 81 Ca 0.48 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1nti h LYS 81 Cb 1.65 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 1nti h LYS 81 CO -0.09 0.15 0.13 0.87 -2.27 0.00 0.00 179.45 178.24 1nti h LYS 82 N -0.60 0.32 0.25 1.90 1.79 0.40 0.18 116.57 120.81 1nti h LYS 82 Ca -0.02 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1nti h LYS 82 Cb 0.45 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1nti h LYS 82 CO 0.04 0.28 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.35 1nti h LYS 83 N 0.28 -0.32 0.00 3.15 3.64 -0.63 -3.38 116.57 119.30 1nti h LYS 83 Ca 0.08 0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.14 1nti h LYS 83 Cb 0.05 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1nti h LYS 83 CO -0.01 -0.20 -2.30 0.66 -2.27 0.00 0.00 179.45 175.33 1nti n TYR 84 N -5.23 0.00 -0.57 1.91 4.01 0.15 -5.06 117.16 112.38 1nti n TYR 84 Ca -0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.67 1nti n TYR 84 Cb 0.16 -0.89 -0.02 0.00 -0.31 0.00 0.00 39.34 38.29 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 2.29 -3.12 0.12 2.72 0.00 0.63 -3.72 105.19 104.12 1nti n GLY 85 Ca -0.38 -1.20 0.01 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