#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgq n ASN 25 N 0.00 0.00 0.25 -2.24 3.02 -1.26 -4.21 115.26 110.82 3mgq n ASN 25 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 3mgq n ASN 25 Cb 0.00 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 39.79 3mgq n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3mgq h ILE 26 N 0.00 0.93 -0.00 2.41 6.09 -2.01 -1.62 117.51 123.32 3mgq h ILE 26 Ca 0.00 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3mgq h ILE 26 Cb 0.00 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.53 3mgq h ILE 26 CO 0.00 0.12 -0.06 0.00 -3.07 0.00 0.00 178.15 175.14 3mgq n GLN 27 N -4.18 0.29 0.25 2.19 1.13 -1.26 -2.87 117.38 112.92 3mgq n GLN 27 Ca -0.02 -0.04 0.11 0.00 -1.94 0.00 0.00 57.00 55.10 3mgq n GLN 27 Cb 0.20 -1.50 0.63 0.00 0.11 0.00 0.00 30.24 29.68 3mgq n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3mgq h GLY 28 N 4.99 0.00 -7.28 1.08 0.00 -1.62 -3.32 103.07 96.93 3mgq h GLY 28 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3mgq h GLY 28 CO 0.00 0.00 1.22 -0.42 0.00 0.00 0.00 176.54 177.34 3mgq s ILE 29 N -4.12 3.73 0.45 2.60 -1.09 -1.14 -4.98 121.20 116.66 3mgq s ILE 29 Ca -0.02 -0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 3mgq s ILE 29 Cb 0.13 -4.81 -0.06 0.00 -1.58 0.00 0.00 42.46 36.13 3mgq s ILE 29 CO 0.61 -1.73 0.84 0.42 -1.23 0.00 0.00 174.94 173.85 3mgq s THR 30 N 6.10 4.72 0.26 2.92 -4.23 -1.25 -4.88 115.64 119.28 3mgq s THR 30 Ca 0.44 0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 61.67 3mgq s THR 30 Cb -0.06 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 70.32 3mgq s THR 30 CO 0.06 -0.62 1.64 0.50 -0.54 0.00 0.00 174.62 175.66 3mgq h LYS 31 N 1.01 0.13 -0.23 3.99 3.64 -1.94 -0.49 116.57 122.69 3mgq h LYS 31 Ca -0.47 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3mgq h LYS 31 Cb 1.19 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3mgq h LYS 31 CO 0.63 0.09 -0.01 -1.35 -2.27 0.00 0.00 179.45 176.53 3mgq h PRO 32 N 0.14 0.33 0.05 1.90 0.11 -1.99 -0.51 132.00 132.03 3mgq h PRO 32 Ca 0.44 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 3mgq h PRO 32 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3mgq h PRO 32 CO -0.66 0.37 -0.02 0.00 -0.21 0.00 0.00 178.00 177.49 3mgq h ALA 33 N 1.67 -0.06 -1.00 -0.75 0.00 -1.51 -1.50 119.26 116.10 3mgq h ALA 33 Ca 0.07 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3mgq h ALA 33 Cb 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3mgq h ALA 33 CO 0.01 -0.45 0.66 0.82 0.00 0.00 0.00 179.25 180.28 3mgq h ILE 34 N -0.23 1.15 -0.55 0.00 2.04 -1.13 -1.70 117.51 117.09 3mgq h ILE 34 Ca -0.01 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 3mgq h ILE 34 Cb 0.21 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 3mgq h ILE 34 CO 0.01 0.23 -0.01 -0.09 0.00 0.00 0.00 178.15 178.29 3mgq h ARG 35 N 1.25 0.94 -0.38 2.37 2.43 -0.97 -1.52 114.38 118.50 3mgq h ARG 35 Ca 0.41 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3mgq h ARG 35 Cb 0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3mgq h ARG 35 CO -0.14 0.94 0.15 0.00 -1.51 0.00 0.00 179.97 179.41 3mgq h ARG 36 N 0.87 0.57 0.12 0.20 3.08 -0.42 -0.95 114.38 117.84 3mgq h ARG 36 Ca 0.16 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3mgq h ARG 36 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3mgq h ARG 36 CO 0.03 0.55 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.29 3mgq h LEU 37 N 0.47 -0.29 -0.72 3.04 3.38 -1.16 -0.20 115.31 119.83 3mgq h LEU 37 Ca 0.13 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.26 3mgq h LEU 37 Cb 0.19 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 3mgq h LEU 37 CO -0.01 -0.17 0.27 0.00 0.09 0.00 0.00 178.44 178.61 3mgq h ALA 38 N 0.61 0.97 -0.65 1.53 0.00 -1.16 -0.79 119.26 119.77 3mgq h ALA 38 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mgq h ALA 38 Cb 0.24 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3mgq h ALA 38 CO -0.03 -0.22 0.39 0.00 0.00 0.00 0.00 179.25 179.39 3mgq h ARG 39 N 0.41 0.88 -0.01 0.00 2.47 -0.65 0.42 114.38 117.91 3mgq h ARG 39 Ca 0.39 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 3mgq h ARG 39 Cb 0.57 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3mgq h ARG 39 CO -0.39 0.64 -0.02 -0.09 0.56 0.00 0.00 179.97 180.67 3mgq h ARG 40 N 0.88 0.01 -0.30 0.04 2.43 0.07 0.16 114.38 117.67 3mgq h ARG 40 Ca 0.23 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3mgq h ARG 40 Cb -0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3mgq h ARG 40 CO -0.04 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.85 3mgq n GLY 41 N -1.47 0.31 1.89 2.80 0.00 -0.35 -4.91 105.19 103.46 3mgq n GLY 41 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3mgq n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgq n GLY 42 N 0.83 0.42 3.73 -0.02 0.00 0.55 -5.03 105.19 105.67 3mgq n GLY 42 Ca 0.08 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3mgq n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgq s VAL 43 N -2.00 4.99 -0.23 1.61 1.01 -0.01 -4.98 120.40 120.79 3mgq s VAL 43 Ca 0.00 1.38 -0.17 0.00 0.00 0.00 0.00 61.98 63.19 3mgq s VAL 43 Cb 0.00 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 3mgq s VAL 43 CO 0.00 0.31 -0.01 1.17 0.00 0.00 0.00 175.10 176.57 3mgq n LYS 44 N 3.40 0.59 -4.35 2.72 4.81 -1.26 -4.34 118.16 119.73 3mgq n LYS 44 Ca -0.03 0.43 -0.21 0.00 -0.87 0.00 0.00 58.31 57.63 3mgq n LYS 44 Cb 0.51 -1.64 -0.13 0.00 0.02 0.00 0.00 35.03 33.79 3mgq n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3mgq s ARG 45 N -2.43 1.01 -0.10 1.64 3.52 -1.26 -5.11 118.95 116.22 3mgq s ARG 45 Ca -0.33 -0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 54.35 3mgq s ARG 45 Cb 0.09 -1.08 0.04 0.00 -1.56 0.00 0.00 34.95 32.44 3mgq s ARG 45 CO 0.56 0.26 0.04 0.42 -0.81 0.00 0.00 175.30 175.77 3mgq s ILE 46 N -1.00 0.21 0.42 4.11 1.01 -1.26 -5.13 121.20 119.57 3mgq s ILE 46 Ca 0.02 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 3mgq s ILE 46 Cb -0.09 -0.54 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 3mgq s ILE 46 CO 0.02 0.06 1.40 -0.55 0.00 0.00 0.00 174.94 175.87 3mgq s SER 47 N 2.03 6.11 0.50 3.58 0.15 -1.26 -4.90 113.70 119.90 3mgq s SER 47 Ca 0.03 2.87 0.15 0.00 0.70 0.00 0.00 55.95 59.70 3mgq s SER 47 Cb -0.14 -2.65 1.18 0.00 -1.71 0.00 0.00 66.02 62.71 3mgq s SER 47 CO -0.06 -1.01 2.11 1.23 1.20 0.00 0.00 173.24 176.71 3mgq h GLY 48 N 2.59 0.02 2.00 9.45 0.00 -2.05 -1.94 103.07 113.14 3mgq h GLY 48 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3mgq h GLY 48 CO 0.62 0.01 0.00 1.04 0.00 0.00 0.00 176.54 178.21 3mgq n LEU 49 N -4.48 0.61 -0.12 3.11 4.77 -1.26 -3.41 117.00 116.21 3mgq n LEU 49 Ca -0.03 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 3mgq n LEU 49 Cb 0.13 -0.51 0.43 0.00 -2.33 0.00 0.00 43.42 41.14 3mgq n LEU 49 CO 0.35 -0.43 1.20 0.40 -1.33 0.00 0.00 177.39 177.57 3mgq h ILE 50 N 0.00 0.96 0.07 -0.08 1.08 -1.72 -2.91 117.51 114.90 3mgq h ILE 50 Ca 0.00 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3mgq h ILE 50 Cb 0.43 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3mgq h ILE 50 CO 0.00 0.10 -0.03 1.88 -0.69 0.00 0.00 178.15 179.41 3mgq h TYR 51 N 0.57 -0.08 -0.89 1.37 0.05 -1.78 0.21 116.97 116.42 3mgq h TYR 51 Ca 0.28 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3mgq h TYR 51 Cb 0.38 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 3mgq h TYR 51 CO -0.00 0.24 0.55 0.93 -1.05 0.00 0.00 178.16 178.84 3mgq h GLU 52 N -0.42 1.19 -0.34 4.88 4.39 -1.81 -2.10 114.58 120.38 3mgq h GLU 52 Ca -0.01 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3mgq h GLU 52 Cb 0.36 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3mgq h GLU 52 CO 0.02 0.82 0.20 1.49 -1.16 0.00 0.00 179.01 180.38 3mgq h GLU 53 N 1.21 0.46 -0.59 2.33 4.57 -1.28 -1.64 114.58 119.65 3mgq h GLU 53 Ca 0.32 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.52 3mgq h GLU 53 Cb -0.08 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.36 3mgq h GLU 53 CO -0.06 0.35 0.29 1.15 -1.18 0.00 0.00 179.01 179.56 3mgq h THR 54 N 0.44 0.92 -0.38 0.32 2.02 -0.12 -1.43 112.91 114.68 3mgq h THR 54 Ca 0.12 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3mgq h THR 54 Cb 0.01 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3mgq h THR 54 CO -0.02 0.10 0.22 0.03 0.37 0.00 0.00 175.52 176.22 3mgq h ARG 55 N 0.55 0.52 -0.41 6.66 3.08 -1.13 0.12 114.38 123.78 3mgq h ARG 55 Ca 0.27 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.33 3mgq h ARG 55 Cb 0.20 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3mgq h ARG 55 CO -0.20 0.40 0.06 0.78 -1.07 0.00 0.00 179.97 179.95 3mgq h GLY 56 N 0.49 0.47 0.95 0.04 0.00 -0.81 0.51 103.07 104.72 3mgq h GLY 56 Ca 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3mgq h GLY 56 CO -0.02 -0.06 0.57 -2.08 0.00 0.00 0.00 176.54 174.95 3mgq h VAL 57 N 0.18 1.19 -0.42 4.60 2.07 -0.85 -1.71 116.25 121.31 3mgq h VAL 57 Ca 0.20 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3mgq h VAL 57 Cb 0.26 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3mgq h VAL 57 CO -0.28 0.21 -0.10 0.25 0.02 0.00 0.00 177.57 177.66 3mgq h LEU 58 N 1.14 0.83 -0.92 2.57 5.85 0.10 -2.24 115.31 122.65 3mgq h LEU 58 Ca 0.33 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3mgq h LEU 58 Cb -0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 3mgq h LEU 58 CO -0.09 1.00 0.29 0.50 -0.34 0.00 0.00 178.44 179.80 3mgq h LYS 59 N 0.64 1.08 -0.23 1.25 3.64 -0.54 -0.68 116.57 121.73 3mgq h LYS 59 Ca 0.11 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3mgq h LYS 59 Cb 0.64 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3mgq h LYS 59 CO 0.04 0.87 -0.27 0.28 -2.27 0.00 0.00 179.45 178.10 3mgq h VAL 60 N 1.05 1.27 0.46 2.00 2.07 -1.19 -0.80 116.25 121.12 3mgq h VAL 60 Ca 0.24 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3mgq h VAL 60 Cb 0.20 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3mgq h VAL 60 CO -0.02 0.41 -0.22 0.15 0.02 0.00 0.00 177.57 177.90 3mgq h PHE 61 N 0.40 -0.58 -0.19 1.57 3.57 -0.73 -2.65 116.94 118.34 3mgq h PHE 61 Ca 0.06 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3mgq h PHE 61 Cb 0.69 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3mgq h PHE 61 CO 0.02 -0.26 0.00 -0.07 -2.23 0.00 0.00 178.31 175.78 3mgq h LEU 62 N -0.89 -0.06 -0.60 0.59 3.38 -1.14 -1.03 115.31 115.55 3mgq h LEU 62 Ca -0.06 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3mgq h LEU 62 Cb 0.58 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 3mgq h LEU 62 CO 0.10 -0.00 -0.56 -0.33 0.09 0.00 0.00 178.44 177.74 3mgq h GLU 63 N 0.07 -0.26 -0.52 1.13 5.08 -1.22 0.76 114.58 119.62 3mgq h GLU 63 Ca 0.09 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 3mgq h GLU 63 Cb 0.10 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3mgq h GLU 63 CO -0.14 -0.17 0.17 -0.91 -1.00 0.00 0.00 179.01 176.96 3mgq h ASN 64 N -0.27 0.15 -0.21 1.42 2.35 -1.11 0.88 115.58 118.80 3mgq h ASN 64 Ca 0.10 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3mgq h ASN 64 Cb 0.54 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 3mgq h ASN 64 CO -0.71 0.11 -0.26 0.58 -1.65 0.00 0.00 177.43 175.49 3mgq h VAL 65 N 0.34 1.33 -0.24 2.81 2.07 -0.24 -3.24 116.25 119.08 3mgq h VAL 65 Ca 0.25 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3mgq h VAL 65 Cb 0.29 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3mgq h VAL 65 CO -0.27 0.45 -0.04 0.40 0.02 0.00 0.00 177.57 178.12 3mgq h ILE 66 N 0.22 1.28 -0.86 4.57 2.04 0.89 -2.19 117.51 123.45 3mgq h ILE 66 Ca 0.03 -1.02 0.19 0.00 1.00 0.00 0.00 64.86 65.06 3mgq h ILE 66 Cb 0.83 1.45 -0.16 0.00 -0.74 0.00 0.00 36.82 38.21 3mgq h ILE 66 CO 0.06 0.32 -0.11 -0.09 0.00 0.00 0.00 178.15 178.33 3mgq h ARG 67 N 0.21 0.03 -0.09 2.37 2.43 -0.93 0.15 114.38 118.55 3mgq h ARG 67 Ca 0.06 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.01 3mgq h ARG 67 Cb 0.49 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3mgq h ARG 67 CO 0.02 0.02 -0.85 -0.44 -1.51 0.00 0.00 179.97 177.21 3mgq h ASP 68 N 0.03 0.81 -0.26 -3.80 5.19 -1.51 -1.82 116.42 115.06 3mgq h ASP 68 Ca 0.45 -0.57 -0.04 0.00 -0.62 0.00 0.00 57.03 56.25 3mgq h ASP 68 Cb 0.77 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 3mgq h ASP 68 CO -0.84 1.36 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 3mgq h ALA 69 N 0.61 0.35 0.00 3.45 0.00 -0.63 -2.08 119.26 120.96 3mgq h ALA 69 Ca -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3mgq h ALA 69 Cb 1.47 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3mgq h ALA 69 CO 0.16 0.08 -0.10 0.28 0.00 0.00 0.00 179.25 179.67 3mgq h VAL 70 N 0.23 0.85 -0.25 0.00 2.07 -0.73 -0.11 116.25 118.31 3mgq h VAL 70 Ca 0.07 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 3mgq h VAL 70 Cb 0.41 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3mgq h VAL 70 CO 0.01 0.10 -0.36 0.74 0.02 0.00 0.00 177.57 178.08 3mgq h THR 71 N 0.00 1.29 0.00 2.57 2.02 -0.85 -1.12 112.91 116.83 3mgq h THR 71 Ca -0.00 -1.50 -0.10 0.00 0.77 0.00 0.00 66.41 65.58 3mgq h THR 71 Cb 0.21 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3mgq h THR 71 CO 0.01 0.47 -0.46 1.88 0.37 0.00 0.00 175.52 177.80 3mgq h TYR 72 N 0.46 0.00 0.16 3.16 0.99 -0.41 -2.35 116.97 118.98 3mgq h TYR 72 Ca 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 3mgq h TYR 72 Cb 0.85 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.58 3mgq h TYR 72 CO 0.03 0.46 -0.07 1.15 -0.00 0.00 0.00 178.16 179.73 3mgq h THR 73 N 0.00 0.93 -0.79 -2.88 2.02 -0.99 -2.63 112.91 108.57 3mgq h THR 73 Ca -0.00 -1.08 0.18 0.00 0.77 0.00 0.00 66.41 66.27 3mgq h THR 73 Cb 0.82 1.52 -0.11 0.00 -1.74 0.00 0.00 68.15 68.63 3mgq h THR 73 CO 0.06 0.22 0.26 -0.33 0.37 0.00 0.00 175.52 176.10 3mgq h GLU 74 N -0.79 0.32 -0.40 6.66 5.08 -1.22 -0.65 114.58 123.59 3mgq h GLU 74 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3mgq h GLU 74 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3mgq h GLU 74 CO 0.04 0.21 0.25 1.25 -1.00 0.00 0.00 179.01 179.75 3mgq h HIS 75 N 0.33 0.52 0.00 4.33 2.76 -1.46 -1.93 115.15 119.70 3mgq h HIS 75 Ca 0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 3mgq h HIS 75 Cb 0.81 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.60 3mgq h HIS 75 CO -0.22 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 176.77 3mgq n ALA 76 N -2.22 1.96 -3.54 5.26 0.00 -0.31 -4.84 120.51 116.81 3mgq n ALA 76 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 3mgq n ALA 76 Cb 0.05 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.32 3mgq n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mgq n LYS 77 N -1.14 -7.45 -3.85 0.00 5.02 -0.72 -5.00 118.16 105.01 3mgq n LYS 77 Ca 0.09 0.83 -0.22 0.00 -2.02 0.00 0.00 58.31 56.99 3mgq n LYS 77 Cb 0.08 -5.85 -0.04 0.00 -0.02 0.00 0.00 35.03 29.20 3mgq n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgq s ARG 78 N -6.26 2.59 0.00 1.97 0.52 -1.05 -5.02 118.95 111.69 3mgq s ARG 78 Ca 0.56 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 3mgq s ARG 78 Cb -0.25 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3mgq s ARG 78 CO 0.69 0.04 0.66 1.63 0.02 0.00 0.00 175.30 178.34 3mgq n LYS 79 N -1.34 0.26 -5.00 3.54 5.02 -1.26 -4.53 118.16 114.85 3mgq n LYS 79 Ca -0.01 -0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 55.16 3mgq n LYS 79 Cb 0.61 -1.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.45 3mgq n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mgq s THR 80 N -0.32 1.80 -0.26 -0.18 2.01 -1.26 -5.11 115.64 112.32 3mgq s THR 80 Ca 0.00 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 3mgq s THR 80 Cb 0.00 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.95 3mgq s THR 80 CO 0.00 0.50 1.09 -0.69 -0.69 0.00 0.00 174.62 174.83 3mgq s VAL 81 N 0.48 4.55 0.35 3.82 1.01 -1.26 -4.92 120.40 124.43 3mgq s VAL 81 Ca -0.17 1.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 3mgq s VAL 81 Cb -0.17 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3mgq s VAL 81 CO 0.07 -0.31 0.60 0.42 0.00 0.00 0.00 175.10 175.88 3mgq s THR 82 N 3.46 5.03 0.21 3.92 -4.23 -1.26 -5.00 115.64 117.77 3mgq s THR 82 Ca 0.46 -0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 3mgq s THR 82 Cb -0.15 -3.81 0.21 0.00 1.34 0.00 0.00 72.50 70.09 3mgq s THR 82 CO 0.11 -0.52 1.65 0.00 -0.54 0.00 0.00 174.62 175.33 3mgq h ALA 83 N 1.05 0.54 -0.61 3.99 0.00 -1.96 -1.36 119.26 120.91 3mgq h ALA 83 Ca -0.48 0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.75 3mgq h ALA 83 Cb 1.20 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 3mgq h ALA 83 CO 0.63 -0.41 0.07 0.52 0.00 0.00 0.00 179.25 180.06 3mgq h MET 84 N 0.08 0.18 -0.90 0.00 2.86 -1.95 0.40 114.93 115.60 3mgq h MET 84 Ca 0.31 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 58.10 3mgq h MET 84 Cb 0.50 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.03 3mgq h MET 84 CO -0.56 0.12 0.49 -0.44 1.06 0.00 0.00 176.91 177.58 3mgq h ASP 85 N 0.19 0.61 0.05 1.22 3.32 -1.60 0.28 116.42 120.49 3mgq h ASP 85 Ca 0.32 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 3mgq h ASP 85 Cb 0.51 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3mgq h ASP 85 CO -0.46 0.24 -0.03 0.58 -1.72 0.00 0.00 179.24 177.85 3mgq h VAL 86 N 0.67 1.28 -0.84 -1.35 2.07 -0.62 -2.34 116.25 115.13 3mgq h VAL 86 Ca 0.50 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.82 3mgq h VAL 86 Cb 0.72 2.12 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 3mgq h VAL 86 CO -0.37 0.32 0.46 0.58 0.02 0.00 0.00 177.57 178.58 3mgq h VAL 87 N -0.68 0.83 0.00 2.57 2.07 0.24 0.15 116.25 121.44 3mgq h VAL 87 Ca -0.01 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 3mgq h VAL 87 Cb 0.58 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3mgq h VAL 87 CO 0.01 0.13 -0.51 1.88 0.02 0.00 0.00 177.57 179.10 3mgq h TYR 88 N 0.72 0.00 -0.17 1.57 0.99 -0.52 -1.24 116.97 118.31 3mgq h TYR 88 Ca 0.43 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.96 3mgq h TYR 88 Cb 0.49 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.23 3mgq h TYR 88 CO -0.07 0.51 -0.64 0.00 -0.00 0.00 0.00 178.16 177.96 3mgq h ALA 89 N 1.49 0.31 -0.89 3.88 0.00 -0.29 -2.53 119.26 121.22 3mgq h ALA 89 Ca -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3mgq h ALA 89 Cb 1.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3mgq h ALA 89 CO 0.07 0.59 0.49 -0.07 0.00 0.00 0.00 179.25 180.32 3mgq h LEU 90 N 0.45 1.12 0.01 0.00 3.38 -0.74 -1.62 115.31 117.90 3mgq h LEU 90 Ca -0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3mgq h LEU 90 Cb 1.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3mgq h LEU 90 CO 0.14 0.90 -0.16 0.50 0.09 0.00 0.00 178.44 179.90 3mgq h LYS 91 N 1.25 -0.26 0.00 1.13 3.64 -1.05 0.18 116.57 121.46 3mgq h LYS 91 Ca 0.31 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3mgq h LYS 91 Cb 0.03 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3mgq h LYS 91 CO -0.05 -0.18 0.00 2.89 -2.27 0.00 0.00 179.45 179.84 3mgq n ARG 92 N -5.30 0.21 0.00 1.90 1.85 -0.97 -0.68 116.66 113.68 3mgq n ARG 92 Ca -0.05 0.26 0.14 0.00 -1.00 0.00 0.00 57.85 57.20 3mgq n ARG 92 Cb 0.21 -1.79 0.65 0.00 -1.05 0.00 0.00 32.46 30.48 3mgq n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3mgq n GLN 93 N -2.17 0.45 -2.37 2.89 1.13 -0.63 -4.92 117.38 111.76 3mgq n GLN 93 Ca 0.05 -0.09 -0.01 0.00 -1.94 0.00 0.00 57.00 55.01 3mgq n GLN 93 Cb 0.36 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.21 3mgq n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgq n GLY 94 N 1.32 0.73 2.66 1.08 0.00 0.14 -4.99 105.19 106.14 3mgq n GLY 94 Ca 0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3mgq n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgq n ARG 95 N -0.78 1.51 -1.62 1.61 1.74 0.59 -5.03 116.66 114.69 3mgq n ARG 95 Ca -0.00 -3.43 -0.57 0.00 -0.77 0.00 0.00 57.85 53.07 3mgq n ARG 95 Cb 0.50 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 3mgq n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3mgq n THR 96 N -0.21 0.07 -4.70 0.55 -1.04 -1.23 -4.56 114.28 103.16 3mgq n THR 96 Ca 0.12 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.79 3mgq n THR 96 Cb 0.81 -0.64 -0.13 0.00 -1.82 0.00 0.00 70.33 68.54 3mgq n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mgq s LEU 97 N 1.40 2.89 -0.02 -4.42 2.96 -1.26 -5.00 118.68 115.22 3mgq s LEU 97 Ca 0.92 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3mgq s LEU 97 Cb -1.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 3mgq s LEU 97 CO 0.59 0.22 0.09 -0.31 -1.32 0.00 0.00 176.35 175.62 3mgq s TYR 98 N 0.04 3.33 0.00 5.38 2.02 -1.26 -4.68 117.35 122.19 3mgq s TYR 98 Ca -0.03 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 3mgq s TYR 98 Cb -0.14 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 3mgq s TYR 98 CO 0.04 0.57 0.00 0.41 -1.57 0.00 0.00 175.55 175.00 3mgq n GLY 99 N 1.26 1.41 0.19 0.71 0.00 -1.26 -4.99 105.19 102.50 3mgq n GLY 99 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3mgq n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mgq n PHE 100 N -0.23 0.00 -0.66 1.61 3.01 -1.26 -4.92 117.46 115.00 3mgq n PHE 100 Ca 0.00 -0.08 -0.16 0.00 1.01 0.00 0.00 57.45 58.22 3mgq n PHE 100 Cb 0.00 -0.03 0.15 0.00 -0.01 0.00 0.00 39.48 39.59 3mgq n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mgq n GLY 101 N -0.10 3.77 0.14 1.37 0.00 -1.26 -4.66 105.19 104.44 3mgq n GLY 101 Ca 0.01 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.37 3mgq n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93