#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgq s VAL 9 N 0.00 3.91 0.39 5.15 1.01 -1.26 -4.99 120.40 124.61 1mgq s VAL 9 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1mgq s VAL 9 Cb 0.00 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 1mgq s VAL 9 CO 0.00 0.52 1.44 0.21 0.00 0.00 0.00 175.10 177.27 1mgq s ASN 10 N 0.07 6.26 0.30 3.32 3.84 -1.26 -4.86 114.94 122.61 1mgq s ASN 10 Ca -0.00 2.95 0.22 0.00 0.21 0.00 0.00 52.86 56.24 1mgq s ASN 10 Cb -0.13 -2.66 1.11 0.00 -0.55 0.00 0.00 41.25 39.02 1mgq s ASN 10 CO 0.03 -0.92 1.68 1.33 -2.79 0.00 0.00 177.10 176.43 1mgq n VAL 11 N 0.29 0.98 -0.23 -5.21 0.24 -1.26 -1.57 118.33 111.58 1mgq n VAL 11 Ca 0.02 0.58 0.04 0.00 -2.04 0.00 0.00 64.34 62.94 1mgq n VAL 11 Cb 0.40 -1.56 0.09 0.00 -1.47 0.00 0.00 33.84 31.30 1mgq n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mgq n GLN 12 N -2.25 2.81 -3.56 7.34 6.02 -1.26 -4.80 117.38 121.68 1mgq n GLN 12 Ca -0.00 -1.90 -0.27 0.00 -0.01 0.00 0.00 57.00 54.81 1mgq n GLN 12 Cb 0.09 -1.21 -0.10 0.00 1.02 0.00 0.00 30.24 30.04 1mgq n GLN 12 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mgq n ARG 13 N -0.17 1.05 0.30 -1.09 1.74 -0.61 -4.94 116.66 112.94 1mgq n ARG 13 Ca 0.07 -3.79 0.17 0.00 -0.77 0.00 0.00 57.85 53.54 1mgq n ARG 13 Cb 0.40 -1.90 0.92 0.00 -1.02 0.00 0.00 32.46 30.86 1mgq n ARG 13 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1mgq h PRO 14 N 5.24 0.00 0.00 5.56 0.13 -1.87 -0.67 132.00 140.39 1mgq h PRO 14 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1mgq h PRO 14 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1mgq h PRO 14 CO 0.55 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 1mgq n LEU 15 N -3.39 0.00 0.28 1.56 4.32 -1.26 -0.93 117.00 117.57 1mgq n LEU 15 Ca -0.02 0.47 0.18 0.00 -0.02 0.00 0.00 56.01 56.62 1mgq n LEU 15 Cb 0.17 -0.47 0.84 0.00 -1.62 0.00 0.00 43.42 42.34 1mgq n LEU 15 CO 0.26 -0.17 1.04 0.44 -1.22 0.00 0.00 177.39 177.73 1mgq h ASP 16 N 0.00 0.00 0.13 -1.43 3.32 -1.49 0.28 116.42 117.23 1mgq h ASP 16 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1mgq h ASP 16 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1mgq h ASP 16 CO 0.00 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 177.41 1mgq h ALA 17 N 2.03 1.75 0.25 3.45 0.00 -1.23 -0.17 119.26 125.33 1mgq h ALA 17 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 1mgq h ALA 17 Cb 0.30 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.11 1mgq h ALA 17 CO 0.00 0.13 -1.50 -0.07 0.00 0.00 0.00 179.25 177.81 1mgq h LEU 18 N 0.00 0.84 -0.63 0.00 3.38 -0.64 -3.19 115.31 115.07 1mgq h LEU 18 Ca -0.00 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 57.12 1mgq h LEU 18 Cb 0.20 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1mgq h LEU 18 CO 0.01 1.72 0.34 1.23 0.09 0.00 0.00 178.44 181.83 1mgq h GLY 19 N 0.20 0.92 2.00 0.83 0.00 -0.99 0.97 103.07 107.00 1mgq h GLY 19 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1mgq h GLY 19 CO 0.27 0.13 0.00 0.70 0.00 0.00 0.00 176.54 177.64 1mgq n ASN 20 N -4.82 0.54 -0.27 0.19 3.02 -0.12 -2.55 115.26 111.25 1mgq n ASN 20 Ca 0.08 0.70 0.03 0.00 -0.03 0.00 0.00 54.58 55.36 1mgq n ASN 20 Cb 0.18 -0.79 0.08 0.00 -0.61 0.00 0.00 39.78 38.63 1mgq n ASN 20 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1mgq n SER 21 N -2.17 2.45 -4.62 6.41 7.64 0.30 -4.99 113.62 118.65 1mgq n SER 21 Ca 0.00 -2.13 -0.47 0.00 1.01 0.00 0.00 58.87 57.28 1mgq n SER 21 Cb 0.11 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 1mgq n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mgq n LEU 22 N -0.22 2.21 -1.13 -3.43 4.77 -1.02 -1.17 117.00 117.02 1mgq n LEU 22 Ca 0.06 1.14 -0.14 0.00 -0.03 0.00 0.00 56.01 57.04 1mgq n LEU 22 Cb 0.37 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.10 1mgq n LEU 22 CO 0.04 -0.94 -0.14 0.59 -1.33 0.00 0.00 177.39 175.60 1mgq n ASN 23 N 2.11 -4.66 -4.40 -1.43 5.03 0.74 -4.98 115.26 107.67 1mgq n ASN 23 Ca 0.14 0.31 -0.25 0.00 0.87 0.00 0.00 54.58 55.65 1mgq n ASN 23 Cb 0.27 -3.44 -0.11 0.00 -1.02 0.00 0.00 39.78 35.49 1mgq n ASN 23 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1mgq s SER 24 N -2.81 3.21 0.33 6.41 0.01 -0.32 -4.87 113.70 115.67 1mgq s SER 24 Ca 0.00 -0.89 -0.28 0.00 1.31 0.00 0.00 55.95 56.08 1mgq s SER 24 Cb 0.00 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 65.90 1mgq s SER 24 CO 0.00 0.05 1.27 -2.84 0.41 0.00 0.00 173.24 172.14 1mgq s PRO 25 N -2.85 4.35 0.12 12.44 0.02 -1.26 -1.63 135.00 146.19 1mgq s PRO 25 Ca 0.21 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1mgq s PRO 25 Cb -0.07 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 1mgq s PRO 25 CO 0.10 -0.16 -0.00 0.14 -0.33 0.00 0.00 177.00 176.74 1mgq s VAL 26 N -1.16 0.40 -0.09 3.83 -7.23 0.29 -4.71 120.40 111.73 1mgq s VAL 26 Ca 0.49 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1mgq s VAL 26 Cb -0.38 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1mgq s VAL 26 CO 0.50 -0.66 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.87 1mgq s ILE 27 N -3.83 3.10 -0.15 -0.62 1.01 -0.32 -2.11 121.20 118.28 1mgq s ILE 27 Ca 0.18 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1mgq s ILE 27 Cb 0.07 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1mgq s ILE 27 CO -0.01 0.56 -0.19 -0.63 0.00 0.00 0.00 174.94 174.66 1mgq s ILE 28 N -0.21 2.30 -0.24 2.92 -1.09 0.16 -0.47 121.20 124.57 1mgq s ILE 28 Ca 0.01 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1mgq s ILE 28 Cb -0.13 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.77 1mgq s ILE 28 CO 0.03 0.53 0.09 -0.75 -1.23 0.00 0.00 174.94 173.61 1mgq s LYS 29 N 0.84 3.78 0.28 2.79 2.47 -0.51 -1.20 119.74 128.18 1mgq s LYS 29 Ca -0.06 -0.42 0.05 0.00 -1.56 0.00 0.00 55.97 53.98 1mgq s LYS 29 Cb -0.15 -3.35 -0.02 0.00 -1.46 0.00 0.00 37.83 32.85 1mgq s LYS 29 CO -0.02 -0.07 0.41 -0.51 0.16 0.00 0.00 175.35 175.32 1mgq s LEU 30 N 1.33 4.20 0.29 5.43 1.43 0.60 -0.28 118.68 131.67 1mgq s LEU 30 Ca 0.05 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 1mgq s LEU 30 Cb -0.15 -2.86 -0.10 0.00 0.03 0.00 0.00 46.19 43.11 1mgq s LEU 30 CO 0.04 -0.19 1.43 -0.54 0.23 0.00 0.00 176.35 177.32 1mgq s LYS 31 N -4.06 4.26 0.00 1.70 1.02 -0.09 -1.28 119.74 121.29 1mgq s LYS 31 Ca 0.38 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.70 1mgq s LYS 31 Cb -0.09 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1mgq s LYS 31 CO 0.30 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1mgq n GLY 32 N 1.65 0.75 2.61 -3.33 0.00 -1.26 -4.32 105.19 101.29 1mgq n GLY 32 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1mgq n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mgq n ASP 33 N 0.00 -1.40 -4.75 1.61 10.43 -0.40 -5.03 116.55 117.01 1mgq n ASP 33 Ca 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.02 1mgq n ASP 33 Cb 0.00 -0.38 0.05 0.00 1.84 0.00 0.00 41.12 42.64 1mgq n ASP 33 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1mgq s ARG 34 N -0.08 2.69 -0.01 -1.24 3.52 -1.23 -4.73 118.95 117.85 1mgq s ARG 34 Ca 0.00 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 1mgq s ARG 34 Cb 0.00 -1.92 0.01 0.00 -1.56 0.00 0.00 34.95 31.48 1mgq s ARG 34 CO 0.00 -1.37 -0.01 -2.00 -0.81 0.00 0.00 175.30 171.11 1mgq s GLU 35 N -3.87 0.16 0.08 5.12 2.12 -1.26 -0.29 118.70 120.76 1mgq s GLU 35 Ca 0.71 0.01 0.09 0.00 0.36 0.00 0.00 54.97 56.14 1mgq s GLU 35 Cb -0.24 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.86 1mgq s GLU 35 CO 0.40 -0.04 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.78 1mgq s PHE 36 N 0.42 2.10 -0.03 5.30 0.08 -0.34 -0.96 117.98 124.55 1mgq s PHE 36 Ca -0.04 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.67 1mgq s PHE 36 Cb -0.06 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1mgq s PHE 36 CO -0.01 0.19 -0.18 1.03 -0.10 0.00 0.00 175.22 176.15 1mgq s ARG 37 N -1.56 1.71 -0.03 0.44 0.52 -0.07 0.40 118.95 120.37 1mgq s ARG 37 Ca 0.10 -0.65 -0.10 0.00 -0.52 0.00 0.00 55.73 54.56 1mgq s ARG 37 Cb -0.10 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 33.86 1mgq s ARG 37 CO 0.03 0.32 0.45 0.41 0.02 0.00 0.00 175.30 176.54 1mgq n GLY 38 N 2.90 0.34 3.63 -3.53 0.00 -0.90 0.28 105.19 107.92 1mgq n GLY 38 Ca -0.17 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1mgq n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mgq s VAL 39 N -2.03 5.25 0.00 1.61 1.01 0.18 -0.55 120.40 125.88 1mgq s VAL 39 Ca 0.11 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1mgq s VAL 39 Cb -0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1mgq s VAL 39 CO -0.01 0.25 1.25 -0.22 0.00 0.00 0.00 175.10 176.37 1mgq s LEU 40 N 1.56 4.32 -0.01 3.92 2.96 -0.64 -1.09 118.68 129.70 1mgq s LEU 40 Ca 0.13 1.97 0.02 0.00 -0.22 0.00 0.00 54.13 56.03 1mgq s LEU 40 Cb -0.15 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1mgq s LEU 40 CO 0.08 -0.58 0.04 0.29 -1.32 0.00 0.00 176.35 174.86 1mgq n LYS 41 N 4.75 0.79 -3.55 1.98 4.76 -0.04 -0.19 118.16 126.66 1mgq n LYS 41 Ca 0.11 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.42 1mgq n LYS 41 Cb 0.46 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.55 1mgq n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1mgq s SER 42 N -2.45 -0.42 0.06 4.39 0.15 -1.18 -4.90 113.70 109.35 1mgq s SER 42 Ca -0.01 0.35 -0.26 0.00 0.70 0.00 0.00 55.95 56.72 1mgq s SER 42 Cb 0.01 0.36 0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1mgq s SER 42 CO 0.09 -0.46 0.75 0.72 1.20 0.00 0.00 173.24 175.54 1mgq s PHE 43 N -1.67 -0.45 0.45 3.44 -0.12 -1.26 -0.94 117.98 117.43 1mgq s PHE 43 Ca -0.01 0.35 0.03 0.00 -0.05 0.00 0.00 56.93 57.24 1mgq s PHE 43 Cb -0.01 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1mgq s PHE 43 CO 0.00 -0.68 0.11 0.16 -0.05 0.00 0.00 175.22 174.77 1mgq s ASP 44 N -2.45 3.19 0.51 1.98 1.47 -0.73 -5.01 116.67 115.62 1mgq s ASP 44 Ca 0.02 -1.72 0.33 0.00 1.18 0.00 0.00 52.55 52.36 1mgq s ASP 44 Cb -0.01 0.60 1.52 0.00 -0.34 0.00 0.00 42.92 44.70 1mgq s ASP 44 CO -0.09 -0.97 2.00 0.17 0.68 0.00 0.00 175.17 176.96 1mgq h LEU 45 N 1.63 0.00 -0.15 2.11 -0.00 -2.03 -0.75 115.31 116.11 1mgq h LEU 45 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1mgq h LEU 45 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1mgq h LEU 45 CO 0.59 0.00 -0.02 1.41 -0.00 0.00 0.00 178.44 180.41 1mgq n HIS 46 N -2.86 0.00 -1.41 0.17 8.25 -1.26 -4.91 115.22 113.20 1mgq n HIS 46 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1mgq n HIS 46 Cb 0.22 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 1mgq n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1mgq n MET 47 N -0.92 -1.08 -1.99 -0.41 2.81 -0.29 -4.28 117.12 110.96 1mgq n MET 47 Ca 0.19 0.99 -0.41 0.00 -1.81 0.00 0.00 57.70 56.67 1mgq n MET 47 Cb 0.20 -5.13 -0.01 0.00 -0.71 0.00 0.00 33.22 27.57 1mgq n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1mgq s ASN 48 N -2.79 6.55 0.07 7.83 0.01 -1.26 -3.60 114.94 121.75 1mgq s ASN 48 Ca 0.00 2.83 -0.08 0.00 -0.71 0.00 0.00 52.86 54.90 1mgq s ASN 48 Cb 0.00 -2.66 -0.00 0.00 0.41 0.00 0.00 41.25 39.00 1mgq s ASN 48 CO 0.00 -0.70 0.18 -1.48 -1.51 0.00 0.00 177.10 173.58 1mgq s LEU 49 N -1.98 1.48 -0.12 0.60 0.05 -0.69 -1.78 118.68 116.24 1mgq s LEU 49 Ca 0.51 -0.59 0.01 0.00 0.05 0.00 0.00 54.13 54.11 1mgq s LEU 49 Cb -0.42 0.95 -0.01 0.00 -2.05 0.00 0.00 46.19 44.66 1mgq s LEU 49 CO 0.57 -0.67 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.86 1mgq s VAL 50 N -3.45 2.90 0.02 1.48 1.01 -0.11 -0.16 120.40 122.08 1mgq s VAL 50 Ca 0.02 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1mgq s VAL 50 Cb 0.03 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1mgq s VAL 50 CO -0.09 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.68 1mgq s LEU 51 N 0.27 2.95 0.15 3.92 1.43 -0.39 -0.86 118.68 126.15 1mgq s LEU 51 Ca -0.11 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1mgq s LEU 51 Cb -0.16 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1mgq s LEU 51 CO 0.06 0.27 -0.06 0.20 0.23 0.00 0.00 176.35 177.04 1mgq s ASN 52 N -1.45 4.49 -1.31 2.29 -0.87 -0.25 -1.12 114.94 116.73 1mgq s ASN 52 Ca 0.16 -0.45 -0.02 0.00 -1.57 0.00 0.00 52.86 50.99 1mgq s ASN 52 Cb -0.11 -0.87 0.01 0.00 -0.02 0.00 0.00 41.25 40.26 1mgq s ASN 52 CO 0.07 0.12 0.81 0.47 -2.57 0.00 0.00 177.10 176.00 1mgq n ASP 53 N 0.21 -1.88 -4.80 -1.22 8.00 -0.31 -0.64 116.55 115.91 1mgq n ASP 53 Ca -0.11 -0.76 -0.36 0.00 0.71 0.00 0.00 54.79 54.27 1mgq n ASP 53 Cb 0.54 -4.32 -0.06 0.00 -0.02 0.00 0.00 41.12 37.26 1mgq n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mgq s ALA 54 N -3.56 3.26 -0.04 2.24 0.00 -0.53 -4.44 121.76 118.70 1mgq s ALA 54 Ca 0.08 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1mgq s ALA 54 Cb -0.04 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1mgq s ALA 54 CO 0.79 0.22 -0.13 -1.21 0.00 0.00 0.00 175.76 175.43 1mgq s GLU 55 N -2.15 1.43 -0.08 0.00 2.02 0.14 -1.61 118.70 118.45 1mgq s GLU 55 Ca 0.49 -0.46 -0.19 0.00 0.02 0.00 0.00 54.97 54.84 1mgq s GLU 55 Cb -0.17 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.75 1mgq s GLU 55 CO 0.22 0.16 0.52 -2.00 0.02 0.00 0.00 175.26 174.18 1mgq s GLU 56 N 0.19 4.31 0.32 1.61 2.12 0.24 -0.89 118.70 126.59 1mgq s GLU 56 Ca -0.05 0.56 0.09 0.00 0.36 0.00 0.00 54.97 55.93 1mgq s GLU 56 Cb -0.11 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 1mgq s GLU 56 CO 0.02 0.24 0.06 -0.51 -0.54 0.00 0.00 175.26 174.53 1mgq s LEU 57 N 0.31 3.17 0.00 2.70 1.43 -0.14 0.32 118.68 126.47 1mgq s LEU 57 Ca 0.28 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1mgq s LEU 57 Cb -0.16 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1mgq s LEU 57 CO 0.13 -0.19 0.00 -0.62 0.23 0.00 0.00 176.35 175.90 1mgq n GLU 58 N -1.02 1.03 -1.34 1.70 1.02 -0.76 -4.07 120.64 117.20 1mgq n GLU 58 Ca -0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.04 1mgq n GLU 58 Cb 0.61 -0.19 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1mgq n GLU 58 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1mgq n ASP 59 N -0.27 -1.02 0.00 1.62 2.03 -1.26 -4.85 116.55 112.79 1mgq n ASP 59 Ca 0.00 -1.91 0.00 0.00 0.52 0.00 0.00 54.79 53.40 1mgq n ASP 59 Cb 0.00 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1mgq n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mgq n GLY 60 N -0.33 0.74 3.57 0.27 0.00 -1.26 -5.04 105.19 103.14 1mgq n GLY 60 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1mgq n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mgq s GLU 61 N -0.54 3.85 -0.34 1.61 0.41 -1.26 -5.06 118.70 117.37 1mgq s GLU 61 Ca 0.00 -0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 53.87 1mgq s GLU 61 Cb 0.00 -3.21 -0.01 0.00 -1.78 0.00 0.00 34.13 29.13 1mgq s GLU 61 CO 0.00 0.15 1.61 0.08 -0.49 0.00 0.00 175.26 176.61 1mgq s VAL 62 N 0.70 3.69 -1.24 2.63 1.01 -1.26 -1.83 120.40 124.11 1mgq s VAL 62 Ca 0.03 0.72 0.25 0.00 0.00 0.00 0.00 61.98 62.97 1mgq s VAL 62 Cb -0.13 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1mgq s VAL 62 CO 0.02 -0.53 1.37 0.35 0.00 0.00 0.00 175.10 176.32 1mgq n THR 63 N 7.10 0.00 -3.61 3.92 -2.24 0.15 -4.95 114.28 114.65 1mgq n THR 63 Ca 0.20 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1mgq n THR 63 Cb 0.47 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 1mgq n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1mgq s ARG 64 N -2.85 0.48 -0.04 -0.78 3.52 -1.23 -4.96 118.95 113.09 1mgq s ARG 64 Ca 0.14 0.32 0.07 0.00 -0.13 0.00 0.00 55.73 56.14 1mgq s ARG 64 Cb 0.18 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1mgq s ARG 64 CO 0.67 -0.11 -0.25 1.03 -0.81 0.00 0.00 175.30 175.83 1mgq s ARG 65 N -0.44 2.33 -0.05 5.12 0.52 -1.26 -0.59 118.95 124.57 1mgq s ARG 65 Ca 0.02 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1mgq s ARG 65 Cb -0.03 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.36 1mgq s ARG 65 CO -0.04 0.47 -0.06 -0.51 0.02 0.00 0.00 175.30 175.19 1mgq s LEU 66 N -0.40 1.37 0.29 2.53 1.43 -0.64 -5.01 118.68 118.25 1mgq s LEU 66 Ca 0.03 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1mgq s LEU 66 Cb -0.12 -0.51 0.44 0.00 0.03 0.00 0.00 46.19 46.03 1mgq s LEU 66 CO 0.01 -0.04 1.76 1.23 0.23 0.00 0.00 176.35 179.54 1mgq h GLY 67 N 7.18 0.58 -4.91 -3.19 0.00 -1.93 -1.40 103.07 99.39 1mgq h GLY 67 Ca -0.36 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.39 1mgq h GLY 67 CO 0.47 0.39 -0.41 -1.08 0.00 0.00 0.00 176.54 175.91 1mgq s THR 68 N -4.67 0.05 -0.07 4.70 -1.32 -1.26 -1.16 115.64 111.91 1mgq s THR 68 Ca -0.07 -0.39 -0.10 0.00 -1.21 0.00 0.00 61.69 59.92 1mgq s THR 68 Cb 0.14 -0.45 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1mgq s THR 68 CO 0.79 -0.21 0.26 0.54 -2.21 0.00 0.00 174.62 173.78 1mgq s VAL 69 N -0.82 0.02 -0.24 5.08 0.11 -0.28 -5.00 120.40 119.28 1mgq s VAL 69 Ca -0.09 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1mgq s VAL 69 Cb -0.05 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1mgq s VAL 69 CO 0.02 -0.11 0.02 -0.22 -3.33 0.00 0.00 175.10 171.47 1mgq s LEU 70 N -0.38 3.19 -0.16 2.54 2.96 -1.26 -1.26 118.68 124.31 1mgq s LEU 70 Ca -0.05 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1mgq s LEU 70 Cb -0.03 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1mgq s LEU 70 CO 0.01 -0.03 0.00 -0.63 -1.32 0.00 0.00 176.35 174.38 1mgq s ILE 71 N 1.55 4.27 -0.01 6.68 1.01 0.78 -4.97 121.20 130.51 1mgq s ILE 71 Ca 0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1mgq s ILE 71 Cb -0.15 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1mgq s ILE 71 CO 0.00 0.48 1.12 -0.13 0.00 0.00 0.00 174.94 176.41 1mgq s ARG 72 N 0.33 4.45 0.46 2.79 0.52 -1.26 -1.70 118.95 124.53 1mgq s ARG 72 Ca -0.01 1.60 0.13 0.00 -0.52 0.00 0.00 55.73 56.93 1mgq s ARG 72 Cb -0.13 -3.46 1.05 0.00 0.52 0.00 0.00 34.95 32.93 1mgq s ARG 72 CO 0.02 -0.25 2.06 0.78 0.02 0.00 0.00 175.30 177.92 1mgq h GLY 73 N 7.30 0.16 2.00 -3.53 0.00 -1.74 -2.91 103.07 104.34 1mgq h GLY 73 Ca -0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1mgq h GLY 73 CO 0.82 0.07 -0.01 -1.80 0.00 0.00 0.00 176.54 175.61 1mgq h ASP 74 N 0.15 0.00 -0.35 0.19 3.58 -1.88 0.27 116.42 118.37 1mgq h ASP 74 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1mgq h ASP 74 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1mgq h ASP 74 CO 0.00 0.01 0.00 0.59 -2.88 0.00 0.00 179.24 176.97 1mgq n ASN 75 N -3.36 2.53 -4.78 2.28 3.02 -1.10 -4.95 115.26 108.91 1mgq n ASN 75 Ca -0.03 -1.90 -0.39 0.00 -0.03 0.00 0.00 54.58 52.24 1mgq n ASN 75 Cb 0.11 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1mgq n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mgq s ILE 76 N -1.54 4.84 -0.13 2.41 1.01 0.08 -0.91 121.20 126.95 1mgq s ILE 76 Ca 0.34 1.27 -0.09 0.00 0.00 0.00 0.00 60.65 62.17 1mgq s ILE 76 Cb 0.19 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1mgq s ILE 76 CO 0.26 0.46 -0.01 0.58 0.00 0.00 0.00 174.94 176.24 1mgq h VAL 77 N 3.94 0.23 -3.57 2.92 2.07 -0.92 -3.45 116.25 117.47 1mgq h VAL 77 Ca -0.46 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 65.78 1mgq h VAL 77 Cb 1.20 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 1mgq h VAL 77 CO 0.68 0.08 -0.09 -0.72 0.02 0.00 0.00 177.57 177.53 1mgq s TYR 78 N -2.01 0.24 -0.04 1.57 -0.85 -1.13 -5.03 117.35 110.10 1mgq s TYR 78 Ca -0.11 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.83 1mgq s TYR 78 Cb 0.01 0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.61 1mgq s TYR 78 CO 0.22 -0.96 -0.02 0.42 -1.52 0.00 0.00 175.55 173.69 1mgq s ILE 79 N -3.98 0.34 -0.23 -3.49 1.01 -1.26 -1.42 121.20 112.16 1mgq s ILE 79 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1mgq s ILE 79 Cb -0.01 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 42.10 1mgq s ILE 79 CO 0.06 0.19 -0.09 -0.55 0.00 0.00 0.00 174.94 174.55 1mgq s SER 80 N 1.13 3.91 0.00 3.58 0.15 0.38 -4.97 113.70 117.88 1mgq s SER 80 Ca -0.08 -1.16 0.31 0.00 0.70 0.00 0.00 55.95 55.72 1mgq s SER 80 Cb -0.14 -1.32 1.75 0.00 -1.71 0.00 0.00 66.02 64.61 1mgq s SER 80 CO -0.01 -0.19 2.14 -2.65 1.20 0.00 0.00 173.24 173.72