#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 -0.32 -1.46 -0.06 -1.26 -0.50 117.38 113.78 1nti n GLN 2 Ca 0.00 0.00 0.18 0.00 -2.00 0.00 0.00 57.00 55.18 1nti n GLN 2 Cb 0.00 0.00 0.38 0.00 -4.06 0.00 0.00 30.24 26.56 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 1.63 -0.43 1.69 0.00 -2.04 0.62 119.26 120.73 1nti h ALA 3 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1nti h ALA 3 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nti h ALA 3 CO 0.00 -0.46 0.34 0.93 0.00 0.00 0.00 179.25 180.06 1nti h GLU 4 N 0.34 0.00 0.00 0.00 5.08 -1.22 0.28 114.58 119.06 1nti h GLU 4 Ca 0.64 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.99 1nti h GLU 4 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1nti h GLU 4 CO -0.59 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 177.70 1nti h PHE 5 N 0.00 0.00 -0.50 4.33 3.57 0.03 0.11 116.94 124.48 1nti h PHE 5 Ca 0.20 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.80 1nti h PHE 5 Cb 0.87 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.51 1nti h PHE 5 CO 0.00 0.66 -0.22 -0.44 -2.23 0.00 0.00 178.31 176.09 1nti h ASP 6 N -1.00 -0.75 0.03 0.41 3.32 -0.92 0.51 116.42 118.01 1nti h ASP 6 Ca -0.01 0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1nti h ASP 6 Cb 0.67 0.42 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1nti h ASP 6 CO -0.01 -0.24 -0.45 0.50 -1.72 0.00 0.00 179.24 177.32 1nti h LYS 7 N -0.10 -0.60 -0.90 3.56 3.64 -0.54 0.60 116.57 122.24 1nti h LYS 7 Ca 0.23 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.86 1nti h LYS 7 Cb 0.47 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.30 1nti h LYS 7 CO -0.57 -0.40 0.41 0.00 -2.27 0.00 0.00 179.45 176.63 1nti h ALA 8 N -0.15 1.43 -0.51 5.00 0.00 0.25 0.12 119.26 125.40 1nti h ALA 8 Ca 0.03 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 8 Cb 0.68 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1nti h ALA 8 CO -0.31 -0.30 -0.17 0.00 0.00 0.00 0.00 179.25 178.48 1nti h ALA 9 N 1.69 0.71 -0.41 0.00 0.00 0.16 0.91 119.26 122.32 1nti h ALA 9 Ca 0.55 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1nti h ALA 9 Cb 1.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1nti h ALA 9 CO -0.50 0.68 -0.13 0.93 0.00 0.00 0.00 179.25 180.22 1nti h GLU 10 N 0.89 0.81 0.32 0.00 5.08 0.14 -1.76 114.58 120.06 1nti h GLU 10 Ca 0.12 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1nti h GLU 10 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1nti h GLU 10 CO 0.06 0.95 -0.15 0.93 -1.00 0.00 0.00 179.01 179.80 1nti h GLU 11 N 0.63 -0.42 -0.63 2.33 4.39 -0.64 -2.54 114.58 117.70 1nti h GLU 11 Ca 0.10 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.93 1nti h GLU 11 Cb 0.67 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.34 1nti h GLU 11 CO 0.05 -0.24 0.23 -0.24 -1.16 0.00 0.00 179.01 177.65 1nti h VAL 12 N -0.49 0.75 0.00 3.13 3.04 -0.68 0.36 116.25 122.35 1nti h VAL 12 Ca -0.04 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1nti h VAL 12 Cb 0.37 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1nti h VAL 12 CO 0.07 0.07 0.19 0.29 -1.01 0.00 0.00 177.57 177.19 1nti n LYS 13 N -5.00 0.00 -0.29 4.17 5.02 -0.68 -0.16 118.16 121.23 1nti n LYS 13 Ca 0.09 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.74 1nti n LYS 13 Cb 0.29 -1.69 0.17 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.26 0.09 -2.02 2.13 8.25 0.13 -5.06 115.22 117.47 1nti n HIS 14 Ca 0.00 -1.18 -0.41 0.00 -0.26 0.00 0.00 57.72 55.87 1nti n HIS 14 Cb 0.19 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.01 4.39 -0.29 2.41 1.43 0.78 -4.81 118.68 119.58 1nti s LEU 15 Ca 0.35 2.69 0.06 0.00 -1.03 0.00 0.00 54.13 56.20 1nti s LEU 15 Cb 0.32 -3.63 0.56 0.00 0.03 0.00 0.00 46.19 43.47 1nti s LEU 15 CO -0.00 -0.67 1.63 1.17 0.23 0.00 0.00 176.35 178.71 1nti n LYS 16 N 1.90 2.69 -3.94 1.70 4.81 -1.00 -4.94 118.16 119.38 1nti n LYS 16 Ca 0.05 -2.39 -0.14 0.00 -0.87 0.00 0.00 58.31 54.97 1nti n LYS 16 Cb 0.41 -1.98 -0.02 0.00 0.02 0.00 0.00 35.03 33.45 1nti n LYS 16 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1nti n THR 17 N -0.35 0.00 -3.32 3.15 -1.04 -1.26 -5.02 114.28 106.44 1nti n THR 17 Ca 0.38 -1.65 -0.43 0.00 -2.04 0.00 0.00 64.05 60.31 1nti n THR 17 Cb 1.27 1.08 -0.08 0.00 -1.82 0.00 0.00 70.33 70.78 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 -2.68 3.07 0.85 -2.82 2.47 -1.26 -5.07 119.74 114.30 1nti s LYS 18 Ca 0.27 -0.87 -0.11 0.00 -1.56 0.00 0.00 55.97 53.70 1nti s LYS 18 Cb -0.02 -4.01 0.15 0.00 -1.46 0.00 0.00 37.83 32.50 1nti s LYS 18 CO 0.19 -0.91 1.18 -2.14 0.16 0.00 0.00 175.35 173.84 1nti s PRO 19 N 2.09 1.28 0.20 4.03 0.02 -1.26 -5.04 135.00 136.32 1nti s PRO 19 Ca 0.11 -0.48 -0.21 0.00 0.02 0.00 0.00 61.00 60.44 1nti s PRO 19 Cb -0.18 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.24 1nti s PRO 19 CO 0.12 -1.91 0.73 0.00 -0.33 0.00 0.00 177.00 175.60 1nti s ALA 20 N -3.58 3.43 0.27 -1.55 0.00 -1.26 -4.91 121.76 114.16 1nti s ALA 20 Ca 0.69 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1nti s ALA 20 Cb -0.06 -2.84 0.60 0.00 0.00 0.00 0.00 23.12 20.82 1nti s ALA 20 CO 0.49 0.33 1.70 -0.44 0.00 0.00 0.00 175.76 177.83 1nti h ASP 21 N 3.66 0.20 -0.78 0.00 5.19 -1.98 0.86 116.42 123.58 1nti h ASP 21 Ca -0.48 0.15 0.12 0.00 -0.62 0.00 0.00 57.03 56.20 1nti h ASP 21 Cb 1.20 0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.78 1nti h ASP 21 CO 0.65 0.00 0.38 -0.33 -3.12 0.00 0.00 179.24 176.82 1nti h GLU 22 N 0.36 0.58 -0.11 3.56 5.08 -1.98 0.36 114.58 122.43 1nti h GLU 22 Ca 0.49 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1nti h GLU 22 Cb 0.87 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1nti h GLU 22 CO -0.51 0.38 0.04 0.93 -1.00 0.00 0.00 179.01 178.85 1nti h GLU 23 N 0.59 0.16 -0.70 2.33 5.08 0.29 0.20 114.58 122.53 1nti h GLU 23 Ca 0.41 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.88 1nti h GLU 23 Cb 0.52 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1nti h GLU 23 CO -0.33 0.29 0.20 0.52 -1.00 0.00 0.00 179.01 178.69 1nti h MET 24 N -0.00 0.31 -0.12 2.33 2.86 0.61 0.29 114.93 121.21 1nti h MET 24 Ca 0.03 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1nti h MET 24 Cb 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1nti h MET 24 CO -0.00 0.20 0.05 -0.07 1.06 0.00 0.00 176.91 178.15 1nti h LEU 25 N 0.32 0.16 0.10 1.22 3.38 0.18 0.45 115.31 121.12 1nti h LEU 25 Ca 0.39 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1nti h LEU 25 Cb 0.62 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1nti h LEU 25 CO -0.45 0.25 -0.19 0.15 0.09 0.00 0.00 178.44 178.29 1nti h PHE 26 N 0.05 -0.49 0.00 1.13 3.57 0.77 0.10 116.94 122.06 1nti h PHE 26 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1nti h PHE 26 Cb 0.14 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1nti h PHE 26 CO -0.02 -0.28 0.00 -0.89 -2.23 0.00 0.00 178.31 174.89 1nti n ILE 27 N -5.31 0.00 -0.02 1.41 2.08 0.90 -1.05 119.36 117.37 1nti n ILE 27 Ca -0.06 0.76 -0.00 0.00 0.56 0.00 0.00 62.75 64.00 1nti n ILE 27 Cb 0.23 -1.67 -0.00 0.00 -0.75 0.00 0.00 39.64 37.44 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 -0.31 -0.02 0.30 1.39 4.19 0.16 0.22 117.16 123.08 1nti n TYR 28 Ca 0.00 0.06 -0.17 0.00 3.31 0.00 0.00 57.90 61.10 1nti n TYR 28 Cb 0.00 -0.49 -0.08 0.00 0.49 0.00 0.00 39.34 39.26 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 -0.91 -0.27 2.98 4.64 -0.74 0.61 113.55 119.86 1nti h SER 29 Ca 0.01 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1nti h SER 29 Cb 0.02 0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1nti h SER 29 CO -0.04 -0.54 0.09 0.45 -0.87 0.00 0.00 176.83 175.92 1nti h HIS 30 N -0.84 0.49 -0.07 4.77 3.86 0.11 0.58 115.15 124.05 1nti h HIS 30 Ca -0.06 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1nti h HIS 30 Cb 0.70 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1nti h HIS 30 CO -0.13 0.42 0.03 -0.92 0.86 0.00 0.00 177.93 178.19 1nti h TYR 31 N 0.48 0.10 0.24 2.45 3.20 0.29 0.23 116.97 123.95 1nti h TYR 31 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1nti h TYR 31 Cb 0.17 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1nti h TYR 31 CO 0.01 0.23 -0.11 0.87 -1.64 0.00 0.00 178.16 177.51 1nti h LYS 32 N -0.05 -0.31 -0.63 1.82 1.79 -0.26 0.44 116.57 119.36 1nti h LYS 32 Ca 0.02 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1nti h LYS 32 Cb 0.17 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1nti h LYS 32 CO -0.00 -0.20 0.26 1.96 -1.08 0.00 0.00 179.45 180.39 1nti h GLN 33 N -0.32 0.91 0.00 3.15 1.08 -0.72 0.24 115.11 119.46 1nti h GLN 33 Ca -0.03 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1nti h GLN 33 Cb 0.25 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1nti h GLN 33 CO 0.05 0.74 -0.17 0.00 -0.95 0.00 0.00 178.83 178.51 1nti h ALA 34 N 1.38 1.40 0.00 3.87 0.00 -0.13 -2.89 119.26 122.90 1nti h ALA 34 Ca 0.21 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1nti h ALA 34 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nti h ALA 34 CO -0.02 0.21 -1.37 0.25 0.00 0.00 0.00 179.25 178.32 1nti n THR 35 N -3.87 0.80 -0.01 0.00 -2.24 0.11 -4.73 114.28 104.32 1nti n THR 35 Ca -0.02 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1nti n THR 35 Cb 0.26 -1.71 -0.14 0.00 -2.10 0.00 0.00 70.33 66.64 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 -3.60 1.71 0.00 2.28 0.31 0.56 -5.08 118.33 114.52 1nti n VAL 36 Ca -0.19 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 1nti n VAL 36 Cb 0.56 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 1.88 1.01 3.60 2.92 0.00 0.47 -4.93 105.19 110.15 1nti n GLY 37 Ca -0.28 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 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 3.35 -1.03 1.61 9.92 -1.26 -3.49 116.55 125.66 1nti n ASP 38 Ca 0.00 0.37 -0.15 0.00 -0.53 0.00 0.00 54.79 54.49 1nti n ASP 38 Cb 0.00 -1.52 -0.02 0.00 -0.64 0.00 0.00 41.12 38.94 1nti n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nti n ILE 39 N 7.21 0.00 -2.94 0.53 3.06 -1.26 -4.83 119.36 121.13 1nti n ILE 39 Ca 0.29 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.39 1nti n ILE 39 Cb 0.42 -0.11 0.01 0.00 0.54 0.00 0.00 39.64 40.50 1nti n ILE 39 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1nti n ASN 40 N 0.86 -1.35 0.06 9.51 5.15 -1.26 -4.91 115.26 123.32 1nti n ASN 40 Ca 0.07 -3.16 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 1nti n ASN 40 Cb -0.01 0.77 0.00 0.00 -0.53 0.00 0.00 39.78 40.01 1nti n ASN 40 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1nti n THR 41 N 1.15 0.53 0.00 -0.44 -2.24 -1.26 -5.13 114.28 106.88 1nti n THR 41 Ca 0.14 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1nti n THR 41 Cb 0.62 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.20 0.00 -1.95 -0.78 -0.58 -1.26 -5.09 120.64 107.78 1nti n GLU 42 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 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 0.50 -0.48 0.00 0.00 177.13 177.15 1nti s ARG 43 N -5.56 4.19 0.83 3.49 3.52 -1.26 -4.98 118.95 119.18 1nti s ARG 43 Ca 0.00 2.28 -0.14 0.00 -0.13 0.00 0.00 55.73 57.75 1nti s ARG 43 Cb 0.00 -3.84 0.05 0.00 -1.56 0.00 0.00 34.95 29.59 1nti s ARG 43 CO 0.00 -0.80 0.85 -0.35 -0.81 0.00 0.00 175.30 174.18 1nti n PRO 44 N 6.53 0.07 -2.55 5.12 -0.04 -1.26 -4.94 135.00 137.92 1nti n PRO 44 Ca 0.17 0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 1nti n PRO 44 Cb 0.42 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.96 2.73 0.17 0.55 0.00 -1.26 -4.86 107.32 102.69 1nti s GLY 45 Ca 0.67 0.69 0.14 0.00 0.00 0.00 0.00 44.72 46.22 1nti s GLY 45 CO 0.57 1.12 0.45 1.03 0.00 0.00 0.00 173.10 176.27 1nti n MET 46 N -0.07 0.00 0.12 2.90 2.81 -1.26 -0.54 117.12 121.07 1nti n MET 46 Ca 0.05 0.32 0.12 0.00 -1.81 0.00 0.00 57.70 56.37 1nti n MET 46 Cb 0.50 -0.75 0.03 0.00 -0.71 0.00 0.00 33.22 32.29 1nti n MET 46 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1nti h LEU 47 N 0.00 0.00 -5.56 4.03 3.38 -2.03 -3.40 115.31 111.73 1nti h LEU 47 Ca 0.26 -0.01 -0.72 0.00 0.09 0.00 0.00 57.88 57.50 1nti h LEU 47 Cb 1.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1nti h LEU 47 CO -0.00 0.00 2.91 0.47 0.09 0.00 0.00 178.44 181.92 1nti n ASP 48 N -2.71 7.57 -0.37 -0.43 9.92 0.30 -4.68 116.55 126.14 1nti n ASP 48 Ca 0.01 -2.92 -0.01 0.00 -0.53 0.00 0.00 54.79 51.33 1nti n ASP 48 Cb 0.54 -1.47 0.04 0.00 -0.64 0.00 0.00 41.12 39.59 1nti n ASP 48 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1nti h PHE 49 N 5.00 -1.09 -0.59 1.24 0.04 -1.82 -0.72 116.94 118.99 1nti h PHE 49 Ca 0.71 0.10 0.05 0.00 2.80 0.00 0.00 57.97 61.64 1nti h PHE 49 Cb 0.36 0.62 -0.07 0.00 2.20 0.00 0.00 35.95 39.06 1nti h PHE 49 CO 1.64 -0.40 -0.35 1.63 -0.60 0.00 0.00 178.31 180.23 1nti n LYS 50 N -5.47 -0.26 -0.01 1.51 5.02 -1.26 -2.43 118.16 115.26 1nti n LYS 50 Ca 0.10 0.90 -0.19 0.00 -2.02 0.00 0.00 58.31 57.10 1nti n LYS 50 Cb 0.40 -1.32 -0.14 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.15 -0.63 0.28 0.72 0.00 -0.85 -4.44 105.19 99.12 1nti n GLY 51 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1nti n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nti n LYS 52 N -3.37 -0.20 0.23 1.61 4.81 -0.33 0.10 118.16 121.01 1nti n LYS 52 Ca -0.30 1.11 -0.16 0.00 -0.87 0.00 0.00 58.31 58.08 1nti n LYS 52 Cb 1.05 -1.64 -0.09 0.00 0.02 0.00 0.00 35.03 34.36 1nti n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nti h ALA 53 N 0.85 -1.09 -0.85 3.14 0.00 -1.76 0.16 119.26 119.70 1nti h ALA 53 Ca 0.22 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.18 1nti h ALA 53 Cb 0.40 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1nti h ALA 53 CO -0.71 -1.14 0.26 0.87 0.00 0.00 0.00 179.25 178.53 1nti h LYS 54 N -0.88 0.26 0.65 0.00 1.79 -0.70 0.46 116.57 118.16 1nti h LYS 54 Ca -0.05 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1nti h LYS 54 Cb 0.79 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1nti h LYS 54 CO -0.11 0.17 -0.31 2.35 -1.08 0.00 0.00 179.45 180.47 1nti h TRP 55 N 0.26 -0.82 -0.51 -1.35 7.01 0.42 -0.17 115.95 120.80 1nti h TRP 55 Ca 0.52 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.60 1nti h TRP 55 Cb 1.01 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 28.26 1nti h TRP 55 CO -0.24 -0.51 0.05 -0.44 -2.79 0.00 0.00 178.44 174.52 1nti h ASP 56 N -1.00 -0.11 -0.70 2.65 3.32 -0.25 0.48 116.42 120.82 1nti h ASP 56 Ca -0.09 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.20 1nti h ASP 56 Cb 0.67 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1nti h ASP 56 CO 0.15 -0.03 0.47 0.00 -1.72 0.00 0.00 179.24 178.11 1nti h ALA 57 N 1.43 2.08 0.02 3.45 0.00 -0.01 0.25 119.26 126.49 1nti h ALA 57 Ca 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1nti h ALA 57 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nti h ALA 57 CO -0.39 -0.25 -0.37 2.35 0.00 0.00 0.00 179.25 180.59 1nti h TRP 58 N 0.42 0.10 -0.85 0.00 7.01 0.14 -3.31 115.95 119.45 1nti h TRP 58 Ca 0.33 -0.07 0.22 0.00 2.11 0.00 0.00 58.89 61.48 1nti h TRP 58 Cb 0.73 -0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 27.65 1nti h TRP 58 CO -0.00 1.14 0.20 -0.97 -2.79 0.00 0.00 178.44 176.02 1nti h ASN 59 N -0.88 -0.05 -0.25 2.65 -1.24 0.74 0.55 115.58 117.10 1nti h ASN 59 Ca -0.09 0.19 0.07 0.00 0.71 0.00 0.00 56.30 57.19 1nti h ASN 59 Cb 1.17 0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.48 1nti h ASN 59 CO -0.01 -0.15 0.67 -0.08 -1.29 0.00 0.00 177.43 176.57 1nti h GLU 60 N 0.20 0.00 0.00 6.67 4.81 -0.62 0.28 114.58 125.92 1nti h GLU 60 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1nti h GLU 60 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1nti h GLU 60 CO -0.65 0.00 -0.68 1.28 -0.73 0.00 0.00 179.01 178.23 1nti n LEU 61 N -3.02 0.68 -4.61 1.64 4.77 0.19 -5.00 117.00 111.64 1nti n LEU 61 Ca 0.05 -0.50 -0.44 0.00 -0.03 0.00 0.00 56.01 55.08 1nti n LEU 61 Cb 0.77 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.85 1nti n LEU 61 CO 0.15 0.17 0.64 1.17 -1.33 0.00 0.00 177.39 178.18 1nti n LYS 62 N -1.34 1.52 0.00 3.23 0.00 1.00 -0.75 118.16 121.81 1nti n LYS 62 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 58.31 58.87 1nti n LYS 62 Cb 0.22 -1.95 0.00 0.00 0.00 0.00 0.00 35.03 33.31 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 1.12 2.63 3.90 3.14 0.00 -1.26 -5.02 105.19 109.69 1nti n GLY 63 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.48 2.67 0.00 2.61 2.01 0.07 -5.07 115.64 115.46 1nti s THR 64 Ca 0.00 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1nti s THR 64 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1nti s THR 64 CO 0.00 -0.27 0.00 -0.24 -0.69 0.00 0.00 174.62 173.42 1nti n SER 65 N -3.14 0.00 -0.10 3.53 2.88 -1.26 -4.52 113.62 111.00 1nti n SER 65 Ca 0.07 -0.14 -0.21 0.00 -1.33 0.00 0.00 58.87 57.27 1nti n SER 65 Cb 0.59 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 1nti n SER 65 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1nti n LYS 66 N -0.14 0.66 -0.06 -1.46 5.02 -1.24 -4.29 118.16 116.65 1nti n LYS 66 Ca 0.00 0.21 -0.08 0.00 -2.02 0.00 0.00 58.31 56.43 1nti n LYS 66 Cb 0.00 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 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 -0.18 -0.20 -0.44 1.97 3.07 -1.86 0.21 114.58 117.15 1nti h GLU 67 Ca -0.55 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.29 1nti h GLU 67 Cb 1.86 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.80 1nti h GLU 67 CO -0.11 -0.13 0.15 -0.44 -1.40 0.00 0.00 179.01 177.08 1nti h ASP 68 N -0.21 0.63 -0.25 1.42 3.32 -1.97 -0.33 116.42 119.03 1nti h ASP 68 Ca 0.15 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1nti h ASP 68 Cb 0.43 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1nti h ASP 68 CO -0.39 0.66 -0.17 0.00 -1.72 0.00 0.00 179.24 177.62 1nti h ALA 69 N 1.00 0.01 0.03 3.45 0.00 -1.67 -0.40 119.26 121.67 1nti h ALA 69 Ca 0.14 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1nti h ALA 69 Cb 0.24 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1nti h ALA 69 CO -0.01 -0.58 -0.54 0.52 0.00 0.00 0.00 179.25 178.65 1nti h MET 70 N -0.16 -0.67 -0.03 0.00 2.86 0.02 0.22 114.93 117.17 1nti h MET 70 Ca 0.14 0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1nti h MET 70 Cb 0.36 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1nti h MET 70 CO -0.34 -0.45 -0.31 0.87 1.06 0.00 0.00 176.91 177.74 1nti h LYS 71 N -0.69 -0.35 -0.44 1.72 1.57 -0.51 0.30 116.57 118.16 1nti h LYS 71 Ca 0.01 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1nti h LYS 71 Cb 0.73 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 1nti h LYS 71 CO -0.34 -0.24 -0.18 0.00 -0.57 0.00 0.00 179.45 178.12 1nti h ALA 72 N -0.84 0.17 0.56 3.86 0.00 -0.97 0.64 119.26 122.68 1nti h ALA 72 Ca 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 72 Cb 0.41 0.45 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nti h ALA 72 CO -0.23 -0.52 -0.27 -0.92 0.00 0.00 0.00 179.25 177.31 1nti h TYR 73 N -0.08 -0.70 -0.20 0.00 5.03 -0.30 0.25 116.97 120.97 1nti h TYR 73 Ca 0.21 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.55 1nti h TYR 73 Cb 0.41 0.23 -0.07 0.00 1.55 0.00 0.00 36.73 38.85 1nti h TYR 73 CO -0.44 -0.44 -0.42 0.82 -1.32 0.00 0.00 178.16 176.37 1nti h ILE 74 N -0.75 0.14 -0.14 1.81 2.04 0.15 0.36 117.51 121.12 1nti h ILE 74 Ca -0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1nti h ILE 74 Cb 0.58 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1nti h ILE 74 CO 0.12 0.00 -0.17 0.44 0.00 0.00 0.00 178.15 178.54 1nti h ASP 75 N -0.45 -0.53 -0.98 1.72 5.19 -0.76 0.27 116.42 120.89 1nti h ASP 75 Ca 0.09 0.10 0.17 0.00 -0.62 0.00 0.00 57.03 56.77 1nti h ASP 75 Cb 0.61 0.25 -0.10 0.00 0.18 0.00 0.00 39.33 40.27 1nti h ASP 75 CO -0.44 -0.22 0.59 0.50 -3.12 0.00 0.00 179.24 176.55 1nti h LYS 76 N -0.21 0.77 -0.05 3.56 3.11 0.90 -0.36 116.57 124.29 1nti h LYS 76 Ca 0.10 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 1nti h LYS 76 Cb 0.35 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1nti h LYS 76 CO -0.26 0.51 -0.11 0.28 -2.81 0.00 0.00 179.45 177.06 1nti h VAL 77 N 0.79 1.42 -0.91 2.00 2.07 0.11 0.26 116.25 121.99 1nti h VAL 77 Ca 0.54 -1.42 0.20 0.00 0.82 0.00 0.00 66.70 66.84 1nti h VAL 77 Cb 0.77 2.24 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 1nti h VAL 77 CO -0.36 0.39 0.47 -0.08 0.02 0.00 0.00 177.57 178.01 1nti h GLU 78 N -0.34 0.53 0.63 1.57 4.57 0.36 0.35 114.58 122.24 1nti h GLU 78 Ca 0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1nti h GLU 78 Cb 0.69 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1nti h GLU 78 CO 0.02 0.35 -0.30 0.93 -1.18 0.00 0.00 179.01 178.83 1nti h GLU 79 N 0.55 -0.81 -1.10 1.92 4.39 -0.88 -0.28 114.58 118.36 1nti h GLU 79 Ca 0.54 0.06 0.34 0.00 0.34 0.00 0.00 59.36 60.64 1nti h GLU 79 Cb 0.93 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 29.64 1nti h GLU 79 CO -0.45 -0.54 0.68 -0.07 -1.16 0.00 0.00 179.01 177.47 1nti h LEU 80 N -1.12 0.43 -0.16 1.33 3.38 0.65 0.71 115.31 120.53 1nti h LEU 80 Ca -0.09 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1nti h LEU 80 Cb 0.65 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1nti h LEU 80 CO 0.14 -0.08 -0.14 0.50 0.09 0.00 0.00 178.44 178.95 1nti h LYS 81 N 0.29 0.37 -0.49 1.13 3.64 -0.26 0.40 116.57 121.64 1nti h LYS 81 Ca 0.72 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1nti h LYS 81 Cb 1.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.67 1nti h LYS 81 CO -0.46 0.74 0.30 0.87 -2.27 0.00 0.00 179.45 178.63 1nti h LYS 82 N 0.01 0.67 0.28 1.90 1.79 0.21 0.31 116.57 121.75 1nti h LYS 82 Ca 0.03 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1nti h LYS 82 Cb 0.67 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1nti h LYS 82 CO 0.04 0.49 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.54 1nti h LYS 83 N 0.66 -0.36 0.00 3.15 3.11 -0.50 -3.39 116.57 119.25 1nti h LYS 83 Ca 0.18 0.02 -0.34 0.00 -2.81 0.00 0.00 60.65 57.71 1nti h LYS 83 Cb -0.01 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.24 1nti h LYS 83 CO -0.03 -0.14 -2.26 0.66 -2.81 0.00 0.00 179.45 174.87 1nti n TYR 84 N -5.19 0.00 -0.61 1.91 4.01 0.14 -5.08 117.16 112.34 1nti n TYR 84 Ca -0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1nti n TYR 84 Cb 0.21 -0.90 -0.02 0.00 -0.31 0.00 0.00 39.34 38.32 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 1.90 -1.77 0.08 2.72 0.00 0.11 -4.65 105.19 103.58 1nti n GLY 85 Ca -0.30 -1.36 0.01 0.00 0.00 0.00 0.00 46.02 44.36 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83