#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 -0.39 4.33 -0.06 -1.26 -4.73 117.38 115.27 1nti n GLN 2 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 1nti n GLN 2 Cb 0.00 -0.17 0.01 0.00 -4.06 0.00 0.00 30.24 26.02 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti n ALA 3 N -3.06 -0.23 -0.18 1.69 0.00 -1.26 0.69 120.51 118.16 1nti n ALA 3 Ca 0.00 0.97 0.29 0.00 0.00 0.00 0.00 53.44 54.69 1nti n ALA 3 Cb 0.00 -0.38 0.73 0.00 0.00 0.00 0.00 19.45 19.79 1nti n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nti h GLU 4 N 0.00 0.00 0.00 0.00 5.08 -1.98 0.25 114.58 117.93 1nti h GLU 4 Ca 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1nti h GLU 4 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1nti h GLU 4 CO -0.98 0.00 -0.23 0.35 -1.00 0.00 0.00 179.01 177.15 1nti h PHE 5 N 0.00 0.00 -0.68 4.33 3.57 -0.03 0.11 116.94 124.24 1nti h PHE 5 Ca 0.43 0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.06 1nti h PHE 5 Cb 1.73 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 40.38 1nti h PHE 5 CO 0.00 0.83 0.18 -0.44 -2.23 0.00 0.00 178.31 176.65 1nti h ASP 6 N -1.00 0.06 0.08 0.41 3.32 -0.50 0.42 116.42 119.21 1nti h ASP 6 Ca -0.06 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1nti h ASP 6 Cb 0.83 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 1nti h ASP 6 CO -0.03 0.01 -0.26 0.50 -1.72 0.00 0.00 179.24 177.74 1nti h LYS 7 N 0.30 -0.44 -0.02 3.56 3.64 -0.57 0.27 116.57 123.32 1nti h LYS 7 Ca 0.37 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1nti h LYS 7 Cb 0.58 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1nti h LYS 7 CO -0.44 -0.29 -0.05 0.00 -2.27 0.00 0.00 179.45 176.40 1nti h ALA 8 N 0.30 -0.04 -0.40 5.00 0.00 0.23 0.18 119.26 124.53 1nti h ALA 8 Ca 0.04 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1nti h ALA 8 Cb 0.50 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1nti h ALA 8 CO -0.18 -0.54 0.12 0.00 0.00 0.00 0.00 179.25 178.66 1nti h ALA 9 N 0.93 0.46 -0.15 0.00 0.00 -0.13 -0.06 119.26 120.31 1nti h ALA 9 Ca 0.03 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1nti h ALA 9 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nti h ALA 9 CO -0.07 -0.27 -0.41 0.93 0.00 0.00 0.00 179.25 179.43 1nti h GLU 10 N 0.27 0.55 -0.35 0.00 4.39 -0.35 -1.61 114.58 117.48 1nti h GLU 10 Ca 0.19 -0.38 0.08 0.00 0.34 0.00 0.00 59.36 59.58 1nti h GLU 10 Cb 0.19 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.82 1nti h GLU 10 CO -0.21 1.00 -0.18 0.93 -1.16 0.00 0.00 179.01 179.39 1nti h GLU 11 N 0.19 -0.13 -0.08 2.33 5.08 0.01 -0.75 114.58 121.23 1nti h GLU 11 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nti h GLU 11 Cb 1.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1nti h GLU 11 CO 0.09 -0.08 0.04 -0.24 -1.00 0.00 0.00 179.01 177.82 1nti h VAL 12 N -0.13 1.01 0.00 3.13 3.04 -0.99 -0.79 116.25 121.52 1nti h VAL 12 Ca 0.18 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1nti h VAL 12 Cb 0.40 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1nti h VAL 12 CO -0.43 0.02 0.71 0.50 -1.01 0.00 0.00 177.57 177.36 1nti h LYS 13 N 0.10 0.00 0.00 4.17 3.64 -0.12 1.00 116.57 125.35 1nti h LYS 13 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1nti h LYS 13 Cb -0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1nti h LYS 13 CO -0.02 0.00 -0.34 0.72 -2.27 0.00 0.00 179.45 177.54 1nti n HIS 14 N -2.49 0.00 -1.80 1.91 8.25 -0.31 -5.05 115.22 115.73 1nti n HIS 14 Ca -0.01 -1.23 -0.31 0.00 -0.26 0.00 0.00 57.72 55.91 1nti n HIS 14 Cb 0.72 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.88 3.22 0.00 2.41 1.43 0.34 -4.95 118.68 118.26 1nti s LEU 15 Ca 0.35 1.50 0.24 0.00 -1.03 0.00 0.00 54.13 55.18 1nti s LEU 15 Cb 0.33 -4.48 0.24 0.00 0.03 0.00 0.00 46.19 42.30 1nti s LEU 15 CO -0.04 -1.05 1.23 1.17 0.23 0.00 0.00 176.35 177.90 1nti n LYS 16 N -2.80 0.80 -4.45 1.70 0.00 -1.10 -4.91 118.16 107.40 1nti n LYS 16 Ca 0.07 -0.60 -0.23 0.00 0.00 0.00 0.00 58.31 57.55 1nti n LYS 16 Cb 0.54 -1.49 -0.10 0.00 0.00 0.00 0.00 35.03 33.98 1nti n LYS 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1nti s THR 17 N -2.61 2.11 -0.18 3.15 2.01 -1.11 -5.06 115.64 113.95 1nti s THR 17 Ca 0.18 -2.27 -0.09 0.00 0.31 0.00 0.00 61.69 59.82 1nti s THR 17 Cb 0.18 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1nti s THR 17 CO 0.61 -0.37 0.12 -0.54 -0.69 0.00 0.00 174.62 173.76 1nti s LYS 18 N -3.60 3.98 0.16 4.92 1.02 -1.26 -5.04 119.74 119.91 1nti s LYS 18 Ca 0.29 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.04 1nti s LYS 18 Cb -0.01 -3.34 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1nti s LYS 18 CO 0.13 0.42 0.22 -0.35 -0.92 0.00 0.00 175.35 174.84 1nti n PRO 19 N 3.14 -0.10 -2.86 -1.68 -0.04 -1.26 -5.10 135.00 127.10 1nti n PRO 19 Ca -0.17 -0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 62.72 1nti n PRO 19 Cb 0.53 -0.21 0.05 0.00 -0.04 0.00 0.00 33.50 33.83 1nti n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nti s ALA 20 N -3.81 4.30 0.00 0.55 0.00 -1.26 -4.83 121.76 116.71 1nti s ALA 20 Ca 0.12 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1nti s ALA 20 Cb -0.00 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1nti s ALA 20 CO 0.09 -0.83 0.89 -0.40 0.00 0.00 0.00 175.76 175.51 1nti n ASP 21 N -2.29 0.00 0.10 0.00 5.75 -1.26 -0.09 116.55 118.76 1nti n ASP 21 Ca 0.12 0.89 0.20 0.00 -0.01 0.00 0.00 54.79 55.99 1nti n ASP 21 Cb 0.60 -0.39 0.70 0.00 -1.03 0.00 0.00 41.12 41.01 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1nti h GLU 22 N 0.00 0.00 0.26 0.11 5.08 -1.96 0.32 114.58 118.38 1nti h GLU 22 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1nti h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nti h GLU 22 CO 0.00 0.00 -0.13 0.93 -1.00 0.00 0.00 179.01 178.81 1nti h GLU 23 N 0.00 -0.34 -0.77 2.33 3.07 -0.86 0.38 114.58 118.38 1nti h GLU 23 Ca 0.20 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1nti h GLU 23 Cb 1.26 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 1nti h GLU 23 CO -0.00 0.01 0.29 0.00 -1.40 0.00 0.00 179.01 177.91 1nti h MET 24 N -0.89 1.16 0.02 2.33 -0.00 0.76 0.90 114.93 119.21 1nti h MET 24 Ca -0.04 -0.22 -0.00 0.00 -0.00 0.00 0.00 59.70 59.45 1nti h MET 24 Cb 0.51 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1nti h MET 24 CO 0.06 0.95 -0.01 -0.07 -0.00 0.00 0.00 176.91 177.83 1nti h LEU 25 N 1.13 -0.03 0.21 -0.10 3.38 -0.50 0.46 115.31 119.85 1nti h LEU 25 Ca 0.26 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nti h LEU 25 Cb 0.23 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1nti h LEU 25 CO -0.02 0.47 -0.40 0.15 0.09 0.00 0.00 178.44 178.73 1nti h PHE 26 N -0.53 -1.10 0.00 1.13 3.04 -0.11 0.12 116.94 119.50 1nti h PHE 26 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1nti h PHE 26 Cb 0.50 0.45 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1nti h PHE 26 CO 0.10 -0.51 0.00 -0.89 -2.02 0.00 0.00 178.31 174.98 1nti n ILE 27 N -5.47 0.00 -0.13 1.41 2.08 0.30 -1.03 119.36 116.52 1nti n ILE 27 Ca -0.08 0.92 -0.02 0.00 0.56 0.00 0.00 62.75 64.13 1nti n ILE 27 Cb 0.38 -1.73 -0.01 0.00 -0.75 0.00 0.00 39.64 37.53 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 -0.58 -0.08 0.11 1.39 9.36 0.16 0.16 117.16 127.67 1nti n TYR 28 Ca 0.00 0.38 -0.12 0.00 3.32 0.00 0.00 57.90 61.48 1nti n TYR 28 Cb 0.00 -0.56 -0.06 0.00 -0.63 0.00 0.00 39.34 38.09 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 -0.51 -0.03 2.98 4.64 -0.60 -0.34 113.55 119.68 1nti h SER 29 Ca 0.07 0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 1nti h SER 29 Cb 0.15 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1nti h SER 29 CO -0.30 -0.27 -0.30 0.45 -0.87 0.00 0.00 176.83 175.55 1nti h HIS 30 N -0.36 0.56 -0.63 4.77 3.86 0.12 0.55 115.15 124.02 1nti h HIS 30 Ca 0.02 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 1nti h HIS 30 Cb 0.38 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1nti h HIS 30 CO -0.18 0.74 0.08 -0.92 0.86 0.00 0.00 177.93 178.51 1nti h TYR 31 N 0.42 1.13 0.38 2.45 3.20 0.03 0.30 116.97 124.88 1nti h TYR 31 Ca 0.06 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1nti h TYR 31 Cb 0.74 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1nti h TYR 31 CO 0.02 0.97 -0.18 0.87 -1.64 0.00 0.00 178.16 178.20 1nti h LYS 32 N 0.97 -0.49 -0.89 1.82 1.79 -0.64 0.15 116.57 119.28 1nti h LYS 32 Ca 0.19 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.77 1nti h LYS 32 Cb 0.47 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.16 1nti h LYS 32 CO 0.02 -0.17 0.55 0.37 -1.08 0.00 0.00 179.45 179.14 1nti h GLN 33 N -0.88 0.94 -0.62 3.15 5.75 -0.77 0.18 115.11 122.86 1nti h GLN 33 Ca -0.05 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 1nti h GLN 33 Cb 0.54 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1nti h GLN 33 CO 0.09 0.62 0.20 0.00 -2.65 0.00 0.00 178.83 177.09 1nti h ALA 34 N 1.44 0.81 0.00 3.38 0.00 -0.36 -2.66 119.26 121.87 1nti h ALA 34 Ca 0.40 -0.20 -0.38 0.00 0.00 0.00 0.00 54.91 54.73 1nti h ALA 34 Cb 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1nti h ALA 34 CO -0.20 0.47 -2.43 0.25 0.00 0.00 0.00 179.25 177.34 1nti n THR 35 N -4.39 1.46 -0.13 0.00 -2.24 0.04 -4.73 114.28 104.28 1nti n THR 35 Ca 0.04 -0.69 -0.28 0.00 -2.27 0.00 0.00 64.05 60.85 1nti n THR 35 Cb 0.21 -1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.06 1.53 0.00 2.28 0.31 0.39 -5.08 118.33 114.69 1nti n VAL 36 Ca -0.40 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1nti n VAL 36 Cb 1.06 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 1.35 0.28 3.35 2.92 0.00 0.17 -4.98 105.19 108.28 1nti n GLY 37 Ca -0.50 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.14 -4.59 1.61 9.92 -1.26 -3.16 116.55 116.92 1nti n ASP 38 Ca 0.00 -0.11 -0.42 0.00 -0.53 0.00 0.00 54.79 53.73 1nti n ASP 38 Cb 0.00 -1.07 -0.06 0.00 -0.64 0.00 0.00 41.12 39.35 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 -2.30 4.81 -0.17 0.53 2.07 -1.26 -4.83 121.20 120.05 1nti s ILE 39 Ca 0.60 0.92 0.16 0.00 -1.41 0.00 0.00 60.65 60.92 1nti s ILE 39 Cb -0.17 -4.13 0.41 0.00 0.13 0.00 0.00 42.46 38.70 1nti s ILE 39 CO 0.66 -0.30 1.29 0.59 -1.91 0.00 0.00 174.94 175.26 1nti n ASN 40 N 6.19 2.82 -4.42 4.50 3.02 -1.26 -4.95 115.26 121.17 1nti n ASN 40 Ca 0.02 -3.22 -0.23 0.00 -0.03 0.00 0.00 54.58 51.11 1nti n ASN 40 Cb 0.48 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 39.04 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nti s THR 41 N -2.94 2.22 -0.18 3.41 -4.23 -1.26 -5.15 115.64 107.50 1nti s THR 41 Ca 0.37 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1nti s THR 41 Cb 0.32 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 72.08 1nti s THR 41 CO 0.04 -0.34 0.01 -1.61 -0.54 0.00 0.00 174.62 172.18 1nti s GLU 42 N -3.19 0.83 -0.18 3.99 2.02 -1.26 -5.08 118.70 115.83 1nti s GLU 42 Ca 0.24 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 54.64 1nti s GLU 42 Cb -0.05 -2.05 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 1nti s GLU 42 CO 0.11 -0.58 -0.24 0.54 0.02 0.00 0.00 175.26 175.10 1nti n ARG 43 N 5.00 0.52 -0.04 1.61 1.74 -1.26 -5.03 116.66 119.19 1nti n ARG 43 Ca -0.09 0.35 -0.02 0.00 -0.77 0.00 0.00 57.85 57.32 1nti n ARG 43 Cb 0.47 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.38 1nti n ARG 43 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nti n PRO 44 N -4.48 -1.71 0.00 5.56 -0.02 -1.26 -4.35 135.00 128.73 1nti n PRO 44 Ca -0.19 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1nti n PRO 44 Cb 0.50 -0.13 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 0.71 2.07 0.00 -1.23 0.00 -1.26 -4.86 105.19 100.62 1nti n GLY 45 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.70 -0.40 1.61 2.81 -1.26 -4.87 117.12 117.71 1nti n MET 46 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 1nti n MET 46 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.46 1nti n MET 46 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1nti n LEU 47 N 0.00 1.39 -4.62 4.03 7.94 -1.26 -4.88 117.00 119.60 1nti n LEU 47 Ca 0.00 -1.61 -0.24 0.00 -1.11 0.00 0.00 56.01 53.05 1nti n LEU 47 Cb 0.00 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 43.23 1nti n LEU 47 CO 0.00 -1.22 -0.33 -0.62 -1.11 0.00 0.00 177.39 174.11 1nti s ASP 48 N 5.57 4.29 0.00 1.96 2.15 -1.26 -5.04 116.67 124.35 1nti s ASP 48 Ca 0.37 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.52 1nti s ASP 48 Cb 0.08 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 1nti s ASP 48 CO 0.14 -0.10 0.00 0.49 -0.17 0.00 0.00 175.17 175.53 1nti n PHE 49 N -0.90 -1.63 -0.16 -5.34 3.01 -1.26 -4.90 117.46 106.27 1nti n PHE 49 Ca -0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.29 1nti n PHE 49 Cb 0.60 0.33 0.09 0.00 -0.01 0.00 0.00 39.48 40.49 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 -2.01 1.64 0.03 -1.08 5.02 -1.26 -3.30 118.16 117.20 1nti n LYS 50 Ca 0.00 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1nti n LYS 50 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 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 -0.29 -0.04 0.00 0.72 0.00 -1.26 -4.76 105.19 99.55 1nti n GLY 51 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.23 0.00 0.09 1.61 0.00 -1.21 0.45 118.16 115.87 1nti n LYS 52 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.27 1nti n LYS 52 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.22 1nti n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nti h ALA 53 N 0.00 -0.65 -0.82 3.14 0.00 -1.88 0.21 119.26 119.26 1nti h ALA 53 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1nti h ALA 53 Cb 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 1nti h ALA 53 CO 0.00 -0.64 -0.32 1.63 0.00 0.00 0.00 179.25 179.92 1nti n LYS 54 N -2.95 -0.20 0.26 0.00 4.01 0.17 0.11 118.16 119.56 1nti n LYS 54 Ca -0.03 1.27 -0.11 0.00 -0.51 0.00 0.00 58.31 58.92 1nti n LYS 54 Cb 0.09 -1.88 -0.06 0.00 -0.51 0.00 0.00 35.03 32.68 1nti n LYS 54 CO 0.00 0.00 0.00 2.35 -1.11 0.00 0.00 177.40 178.64 1nti h TRP 55 N 0.00 -0.66 -0.58 2.13 7.01 -1.17 -1.28 115.95 121.40 1nti h TRP 55 Ca 0.28 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.38 1nti h TRP 55 Cb 0.49 0.22 -0.11 0.00 -2.10 0.00 0.00 29.16 27.66 1nti h TRP 55 CO -0.72 -0.39 -0.17 -0.44 -2.79 0.00 0.00 178.44 173.93 1nti h ASP 56 N -1.17 -0.61 -0.99 2.65 5.19 0.09 0.44 116.42 122.02 1nti h ASP 56 Ca -0.07 0.18 0.17 0.00 -0.62 0.00 0.00 57.03 56.68 1nti h ASP 56 Cb 0.56 0.39 -0.10 0.00 0.18 0.00 0.00 39.33 40.36 1nti h ASP 56 CO 0.12 -0.21 0.60 0.00 -3.12 0.00 0.00 179.24 176.63 1nti h ALA 57 N 1.52 1.59 0.00 3.45 0.00 -0.33 0.22 119.26 125.70 1nti h ALA 57 Ca 0.28 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1nti h ALA 57 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nti h ALA 57 CO -0.61 0.03 -0.12 2.35 0.00 0.00 0.00 179.25 180.90 1nti h TRP 58 N 0.82 0.11 -0.96 0.00 7.01 0.66 -3.25 115.95 120.34 1nti h TRP 58 Ca 0.55 -0.06 0.19 0.00 2.11 0.00 0.00 58.89 61.67 1nti h TRP 58 Cb 0.76 -0.01 -0.18 0.00 -2.10 0.00 0.00 29.16 27.62 1nti h TRP 58 CO -0.01 0.88 -0.26 -0.97 -2.79 0.00 0.00 178.44 175.29 1nti h ASN 59 N -0.68 -0.96 0.00 2.65 -1.24 0.16 0.28 115.58 115.77 1nti h ASN 59 Ca -0.02 0.29 0.00 0.00 0.71 0.00 0.00 56.30 57.29 1nti h ASN 59 Cb 0.91 0.62 0.00 0.00 0.73 0.00 0.00 38.32 40.58 1nti h ASN 59 CO 0.02 -0.32 0.39 -0.62 -1.29 0.00 0.00 177.43 175.61 1nti n GLU 60 N -5.59 0.04 -0.00 6.67 4.71 0.58 -0.10 120.64 126.94 1nti n GLU 60 Ca 0.14 0.39 0.07 0.00 -0.01 0.00 0.00 57.16 57.76 1nti n GLU 60 Cb 0.47 -2.00 -0.09 0.00 -1.01 0.00 0.00 31.44 28.81 1nti n GLU 60 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nti n LEU 61 N -1.62 0.48 -4.64 -4.62 4.77 0.97 -5.01 117.00 107.33 1nti n LEU 61 Ca -0.00 -0.35 -0.60 0.00 -0.03 0.00 0.00 56.01 55.03 1nti n LEU 61 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1nti n LEU 61 CO 0.02 0.12 0.98 1.17 -1.33 0.00 0.00 177.39 178.35 1nti n LYS 62 N -1.55 0.48 0.00 3.23 4.81 0.86 -0.42 118.16 125.57 1nti n LYS 62 Ca 0.01 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1nti n LYS 62 Cb 0.28 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 3.05 2.63 3.30 3.14 0.00 -1.26 -5.05 105.19 110.99 1nti n GLY 63 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.45 0.00 -3.56 2.61 -1.04 0.44 -4.98 114.28 107.29 1nti n THR 64 Ca 0.00 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.05 61.37 1nti n THR 64 Cb 0.00 -0.84 -0.08 0.00 -1.82 0.00 0.00 70.33 67.59 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 -2.36 6.30 0.24 8.00 0.15 -1.26 -4.97 113.70 119.79 1nti s SER 65 Ca 0.61 0.34 -0.08 0.00 0.70 0.00 0.00 55.95 57.52 1nti s SER 65 Cb -0.17 -2.16 0.41 0.00 -1.71 0.00 0.00 66.02 62.39 1nti s SER 65 CO 0.60 0.05 1.65 0.07 1.20 0.00 0.00 173.24 176.80 1nti h LYS 66 N 7.16 0.13 -0.67 5.44 2.10 -1.88 0.09 116.57 128.94 1nti h LYS 66 Ca -0.39 -0.01 0.14 0.00 -2.00 0.00 0.00 60.65 58.40 1nti h LYS 66 Cb 1.16 -0.03 -0.11 0.00 -0.90 0.00 0.00 32.23 32.36 1nti h LYS 66 CO 0.71 0.08 0.08 0.93 -2.00 0.00 0.00 179.45 179.26 1nti h GLU 67 N 0.13 0.18 -0.13 0.07 4.39 -1.92 0.41 114.58 117.72 1nti h GLU 67 Ca 0.39 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 1nti h GLU 67 Cb 0.68 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1nti h GLU 67 CO -0.61 0.12 0.08 -0.44 -1.16 0.00 0.00 179.01 177.00 1nti h ASP 68 N 0.19 0.15 -0.62 1.42 5.19 -1.41 0.21 116.42 121.56 1nti h ASP 68 Ca 0.36 -0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.76 1nti h ASP 68 Cb 0.60 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 1nti h ASP 68 CO -0.51 0.16 0.36 0.00 -3.12 0.00 0.00 179.24 176.13 1nti h ALA 69 N 1.00 0.81 0.68 3.45 0.00 -0.44 0.27 119.26 125.02 1nti h ALA 69 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nti h ALA 69 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nti h ALA 69 CO -0.01 0.06 -0.46 0.52 0.00 0.00 0.00 179.25 179.37 1nti h MET 70 N 0.69 -1.04 -0.17 0.00 2.86 0.42 0.14 114.93 117.83 1nti h MET 70 Ca 0.26 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 58.00 1nti h MET 70 Cb 0.10 0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1nti h MET 70 CO -0.14 -0.69 -0.44 0.87 1.06 0.00 0.00 176.91 177.57 1nti h LYS 71 N -1.07 -0.42 -0.77 1.72 1.57 -0.29 0.35 116.57 117.66 1nti h LYS 71 Ca -0.09 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.89 1nti h LYS 71 Cb 0.87 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 33.16 1nti h LYS 71 CO 0.07 -0.28 0.19 0.00 -0.57 0.00 0.00 179.45 178.86 1nti h ALA 72 N -0.46 1.02 -0.58 3.86 0.00 -0.43 0.30 119.26 122.97 1nti h ALA 72 Ca 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1nti h ALA 72 Cb 0.53 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1nti h ALA 72 CO -0.39 -0.36 0.30 -0.92 0.00 0.00 0.00 179.25 177.88 1nti h TYR 73 N 0.26 0.81 0.40 0.00 5.03 0.11 0.20 116.97 123.78 1nti h TYR 73 Ca 0.44 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.70 1nti h TYR 73 Cb 0.78 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.81 1nti h TYR 73 CO -0.26 0.61 -0.19 0.82 -1.32 0.00 0.00 178.16 177.81 1nti h ILE 74 N 0.78 0.60 -0.61 1.81 2.04 0.30 0.30 117.51 122.73 1nti h ILE 74 Ca 0.20 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1nti h ILE 74 Cb 0.08 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1nti h ILE 74 CO -0.03 0.06 0.29 0.44 0.00 0.00 0.00 178.15 178.91 1nti h ASP 75 N -0.72 0.37 -0.46 1.72 3.32 -0.66 0.13 116.42 120.13 1nti h ASP 75 Ca -0.05 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1nti h ASP 75 Cb 0.51 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1nti h ASP 75 CO 0.09 0.24 0.20 0.50 -1.72 0.00 0.00 179.24 178.54 1nti h LYS 76 N 0.52 0.67 -0.11 3.56 3.11 -0.36 0.30 116.57 124.27 1nti h LYS 76 Ca 0.29 -0.11 0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1nti h LYS 76 Cb 0.27 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1nti h LYS 76 CO -0.23 0.60 0.04 0.28 -2.81 0.00 0.00 179.45 177.33 1nti h VAL 77 N 0.59 0.99 -0.97 2.00 2.07 0.54 0.26 116.25 121.73 1nti h VAL 77 Ca 0.15 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.82 1nti h VAL 77 Cb 0.17 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1nti h VAL 77 CO -0.02 0.02 0.57 -0.33 0.02 0.00 0.00 177.57 177.84 1nti h GLU 78 N 0.10 0.72 0.89 1.57 5.08 -0.12 0.49 114.58 123.31 1nti h GLU 78 Ca 0.05 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1nti h GLU 78 Cb 0.02 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nti h GLU 78 CO -0.04 0.47 -0.43 0.93 -1.00 0.00 0.00 179.01 178.95 1nti h GLU 79 N 0.74 -1.15 -1.08 2.33 5.08 0.17 -1.37 114.58 119.30 1nti h GLU 79 Ca 0.55 0.08 0.29 0.00 -1.00 0.00 0.00 59.36 59.28 1nti h GLU 79 Cb 0.84 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1nti h GLU 79 CO -0.38 -0.76 0.69 -0.07 -1.00 0.00 0.00 179.01 177.49 1nti h LEU 80 N -1.31 0.43 -0.22 1.33 3.38 0.12 0.35 115.31 119.39 1nti h LEU 80 Ca -0.12 0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 1nti h LEU 80 Cb 0.91 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1nti h LEU 80 CO 0.20 0.04 -0.70 0.50 0.09 0.00 0.00 178.44 178.57 1nti h LYS 81 N 0.35 0.81 -0.23 1.13 3.64 0.06 0.28 116.57 122.62 1nti h LYS 81 Ca 0.64 -0.61 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1nti h LYS 81 Cb 1.67 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1nti h LYS 81 CO -0.34 1.22 -0.50 0.87 -2.27 0.00 0.00 179.45 178.43 1nti h LYS 82 N 0.58 0.74 0.10 1.90 1.57 0.63 0.43 116.57 122.52 1nti h LYS 82 Ca -0.03 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1nti h LYS 82 Cb 1.32 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1nti h LYS 82 CO 0.15 1.12 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.87 1nti h LYS 83 N 0.46 -0.13 0.00 3.15 1.63 -0.46 -3.37 116.57 117.86 1nti h LYS 83 Ca 0.00 0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.66 1nti h LYS 83 Cb 1.11 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 1nti h LYS 83 CO 0.11 0.04 -1.87 0.66 -3.45 0.00 0.00 179.45 174.95 1nti n TYR 84 N -5.08 0.00 0.00 1.91 4.01 0.99 -5.00 117.16 113.99 1nti n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nti n TYR 84 Cb 0.14 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 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 1.91 0.00 0.00 2.72 0.00 0.15 -4.92 105.19 105.05 1nti n GLY 85 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83