#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp n ASN 25 N 0.00 0.00 0.03 -2.24 3.02 -1.26 -4.37 115.26 110.44 3mgp n ASN 25 Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.75 3mgp n ASN 25 Cb 0.00 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 39.87 3mgp n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3mgp h ILE 26 N 0.00 0.70 0.00 2.41 6.09 -1.99 -0.18 117.51 124.54 3mgp h ILE 26 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3mgp h ILE 26 Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 3mgp h ILE 26 CO 0.00 0.00 -0.26 1.56 -3.07 0.00 0.00 178.15 176.38 3mgp h GLN 27 N 0.00 0.00 0.00 2.19 1.08 -2.02 -3.01 115.11 113.36 3mgp h GLN 27 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3mgp h GLN 27 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 3mgp h GLN 27 CO -0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 3mgp n GLY 28 N 1.28 -1.37 3.56 3.46 0.00 -0.08 -4.11 105.19 107.93 3mgp n GLY 28 Ca 0.04 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3mgp n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgp s ILE 29 N -3.30 3.72 0.61 -0.61 -1.09 -1.14 -4.99 121.20 114.41 3mgp s ILE 29 Ca 0.05 -0.50 -0.13 0.00 -2.23 0.00 0.00 60.65 57.84 3mgp s ILE 29 Cb 0.10 -4.65 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 3mgp s ILE 29 CO 0.43 -1.56 1.03 0.42 -1.23 0.00 0.00 174.94 174.04 3mgp s THR 30 N 6.93 4.25 0.27 2.92 -4.23 -1.26 -4.86 115.64 119.65 3mgp s THR 30 Ca 0.54 0.89 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 3mgp s THR 30 Cb -0.03 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.49 3mgp s THR 30 CO -0.04 -0.79 1.71 0.50 -0.54 0.00 0.00 174.62 175.46 3mgp h LYS 31 N 0.06 0.42 0.00 3.99 3.64 -1.94 -1.90 116.57 120.84 3mgp h LYS 31 Ca -0.45 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 3mgp h LYS 31 Cb 1.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3mgp h LYS 31 CO 0.59 0.28 -0.36 -1.35 -2.27 0.00 0.00 179.45 176.33 3mgp h PRO 32 N 0.43 0.00 -0.20 1.90 0.11 -1.99 -1.36 132.00 130.89 3mgp h PRO 32 Ca 0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.47 3mgp h PRO 32 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mgp h PRO 32 CO -0.47 0.36 -0.41 0.00 -0.21 0.00 0.00 178.00 177.27 3mgp h ALA 33 N 1.64 0.32 -0.46 -0.75 0.00 -1.82 -1.83 119.26 116.35 3mgp h ALA 33 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3mgp h ALA 33 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3mgp h ALA 33 CO 0.05 0.42 0.03 0.82 0.00 0.00 0.00 179.25 180.57 3mgp h ILE 34 N 0.31 1.23 -0.36 0.00 2.04 -1.33 -2.32 117.51 117.07 3mgp h ILE 34 Ca 0.01 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 3mgp h ILE 34 Cb 1.01 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3mgp h ILE 34 CO 0.09 0.32 -0.33 -0.09 0.00 0.00 0.00 178.15 178.14 3mgp h ARG 35 N 0.69 0.79 -0.63 2.37 2.43 -1.18 -1.94 114.38 116.91 3mgp h ARG 35 Ca 0.14 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 3mgp h ARG 35 Cb 0.38 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3mgp h ARG 35 CO 0.01 1.01 0.23 0.00 -1.51 0.00 0.00 179.97 179.71 3mgp h ARG 36 N 0.67 0.92 -0.45 0.20 3.08 -1.15 -1.09 114.38 116.56 3mgp h ARG 36 Ca 0.07 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3mgp h ARG 36 Cb 0.88 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3mgp h ARG 36 CO 0.08 0.77 0.02 -0.07 -1.07 0.00 0.00 179.97 179.70 3mgp h LEU 37 N 0.91 0.75 -0.50 3.04 3.38 -1.29 -2.25 115.31 119.34 3mgp h LEU 37 Ca 0.21 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3mgp h LEU 37 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3mgp h LEU 37 CO -0.02 0.86 0.30 0.00 0.09 0.00 0.00 178.44 179.67 3mgp h ALA 38 N 0.92 0.64 0.44 1.53 0.00 -1.10 -1.36 119.26 120.32 3mgp h ALA 38 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3mgp h ALA 38 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3mgp h ALA 38 CO 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.96 3mgp h ARG 39 N 0.60 -0.71 -0.94 0.00 2.47 -1.07 0.34 114.38 115.07 3mgp h ARG 39 Ca 0.20 0.05 0.24 0.00 -1.26 0.00 0.00 59.98 59.21 3mgp h ARG 39 Cb 0.02 0.16 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 3mgp h ARG 39 CO -0.09 -0.47 0.64 -0.09 0.56 0.00 0.00 179.97 180.52 3mgp h ARG 40 N -0.73 0.27 0.00 0.04 2.43 -1.37 0.27 114.38 115.29 3mgp h ARG 40 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3mgp h ARG 40 Cb 0.62 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3mgp h ARG 40 CO 0.02 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.07 3mgp n GLY 41 N -1.57 -0.87 1.22 2.80 0.00 -0.05 -4.89 105.19 101.83 3mgp n GLY 41 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3mgp n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgp n GLY 42 N 0.63 0.63 3.74 -0.02 0.00 0.95 -5.05 105.19 106.08 3mgp n GLY 42 Ca 0.17 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 3mgp n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgp s VAL 43 N -2.00 4.98 -0.26 1.61 1.01 -0.30 -4.98 120.40 120.47 3mgp s VAL 43 Ca 0.00 1.28 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 3mgp s VAL 43 Cb 0.00 -3.96 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 3mgp s VAL 43 CO 0.00 0.35 -0.18 1.17 0.00 0.00 0.00 175.10 176.44 3mgp n LYS 44 N 3.19 0.59 -4.77 2.72 4.81 -1.26 -4.27 118.16 119.17 3mgp n LYS 44 Ca -0.05 0.34 -0.24 0.00 -0.87 0.00 0.00 58.31 57.49 3mgp n LYS 44 Cb 0.51 -1.57 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 3mgp n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3mgp s ARG 45 N -2.47 1.37 -0.14 1.64 3.52 -1.26 -5.12 118.95 116.48 3mgp s ARG 45 Ca -0.36 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 54.65 3mgp s ARG 45 Cb 0.12 -1.30 0.04 0.00 -1.56 0.00 0.00 34.95 32.25 3mgp s ARG 45 CO 0.53 0.33 -0.01 0.42 -0.81 0.00 0.00 175.30 175.76 3mgp s ILE 46 N -0.32 0.72 0.43 4.11 1.01 -1.26 -5.13 121.20 120.76 3mgp s ILE 46 Ca 0.05 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 3mgp s ILE 46 Cb -0.07 -0.98 -0.09 0.00 0.01 0.00 0.00 42.46 41.33 3mgp s ILE 46 CO -0.00 0.08 1.41 -0.24 0.00 0.00 0.00 174.94 176.19 3mgp n SER 47 N 5.01 3.28 -0.01 3.58 2.88 -1.26 -4.91 113.62 122.18 3mgp n SER 47 Ca -0.10 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.73 3mgp n SER 47 Cb 0.48 -1.59 0.58 0.00 -0.75 0.00 0.00 64.21 62.93 3mgp n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3mgp h GLY 48 N 2.40 0.32 1.92 0.46 0.00 -2.05 -1.88 103.07 104.24 3mgp h GLY 48 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3mgp h GLY 48 CO 0.61 0.06 0.00 1.04 0.00 0.00 0.00 176.54 178.25 3mgp n LEU 49 N -4.45 0.00 -0.16 3.11 4.77 -1.26 -3.79 117.00 115.22 3mgp n LEU 49 Ca 0.08 0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 3mgp n LEU 49 Cb 0.41 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 41.19 3mgp n LEU 49 CO 0.35 -0.05 0.96 0.40 -1.33 0.00 0.00 177.39 177.72 3mgp h ILE 50 N 0.00 1.24 -0.46 -0.08 1.08 -1.71 -2.87 117.51 114.71 3mgp h ILE 50 Ca 0.00 -0.87 -0.05 0.00 -0.39 0.00 0.00 64.86 63.55 3mgp h ILE 50 Cb 0.41 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3mgp h ILE 50 CO 0.00 0.32 0.09 1.88 -0.69 0.00 0.00 178.15 179.75 3mgp h TYR 51 N 0.86 0.80 -0.49 1.37 0.05 -1.77 0.31 116.97 118.10 3mgp h TYR 51 Ca 0.19 -0.11 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 3mgp h TYR 51 Cb 0.32 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3mgp h TYR 51 CO 0.02 0.74 -0.15 0.93 -1.05 0.00 0.00 178.16 178.65 3mgp h GLU 52 N 0.63 0.94 -0.81 4.88 4.39 -1.82 -2.44 114.58 120.34 3mgp h GLU 52 Ca 0.14 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 3mgp h GLU 52 Cb 0.36 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3mgp h GLU 52 CO 0.01 1.02 0.35 1.49 -1.16 0.00 0.00 179.01 180.72 3mgp h GLU 53 N 0.83 1.20 -0.70 2.33 4.57 -1.15 -2.87 114.58 118.79 3mgp h GLU 53 Ca 0.12 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 3mgp h GLU 53 Cb 0.70 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3mgp h GLU 53 CO 0.05 0.95 0.20 1.15 -1.18 0.00 0.00 179.01 180.18 3mgp h THR 54 N 1.18 1.26 -0.23 0.32 2.02 -0.29 -2.61 112.91 114.55 3mgp h THR 54 Ca 0.27 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3mgp h THR 54 Cb 0.18 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3mgp h THR 54 CO -0.03 0.35 0.14 0.03 0.37 0.00 0.00 175.52 176.38 3mgp h ARG 55 N 1.04 0.31 -0.34 6.66 3.08 -1.28 -1.23 114.38 122.61 3mgp h ARG 55 Ca 0.22 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3mgp h ARG 55 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3mgp h ARG 55 CO -0.00 0.24 0.11 0.78 -1.07 0.00 0.00 179.97 180.03 3mgp h GLY 56 N 0.28 0.56 0.20 0.04 0.00 -1.39 0.10 103.07 102.86 3mgp h GLY 56 Ca 0.08 -0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.18 3mgp h GLY 56 CO -0.02 0.31 0.08 -2.08 0.00 0.00 0.00 176.54 174.83 3mgp h VAL 57 N 0.39 0.64 -0.48 4.60 2.07 -1.45 0.63 116.25 122.65 3mgp h VAL 57 Ca 0.11 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3mgp h VAL 57 Cb 0.25 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3mgp h VAL 57 CO -0.00 0.04 -0.04 0.25 0.02 0.00 0.00 177.57 177.83 3mgp h LEU 58 N 0.20 0.86 -0.12 2.57 5.85 -0.90 -1.34 115.31 122.44 3mgp h LEU 58 Ca 0.28 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3mgp h LEU 58 Cb 0.42 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3mgp h LEU 58 CO -0.40 0.99 -0.18 0.50 -0.34 0.00 0.00 178.44 179.01 3mgp h LYS 59 N 0.72 -0.22 -0.99 1.25 3.64 -0.34 -0.37 116.57 120.26 3mgp h LYS 59 Ca 0.13 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3mgp h LYS 59 Cb 0.57 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 3mgp h LYS 59 CO 0.03 -0.15 0.65 0.28 -2.27 0.00 0.00 179.45 178.00 3mgp h VAL 60 N -0.23 1.25 0.54 2.00 2.07 -0.73 0.99 116.25 122.14 3mgp h VAL 60 Ca 0.09 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3mgp h VAL 60 Cb 0.37 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3mgp h VAL 60 CO -0.25 0.24 -0.32 0.15 0.02 0.00 0.00 177.57 177.41 3mgp h PHE 61 N 1.33 -0.85 -0.72 1.57 3.57 -0.87 -1.70 116.94 119.28 3mgp h PHE 61 Ca 0.36 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 3mgp h PHE 61 Cb -0.14 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3mgp h PHE 61 CO -0.00 -0.50 0.27 -0.07 -2.23 0.00 0.00 178.31 175.79 3mgp h LEU 62 N -0.82 0.99 -0.32 0.59 3.38 -0.90 -2.35 115.31 115.88 3mgp h LEU 62 Ca -0.07 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3mgp h LEU 62 Cb 0.66 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 3mgp h LEU 62 CO 0.07 0.89 -0.12 -0.33 0.09 0.00 0.00 178.44 179.05 3mgp h GLU 63 N 1.05 -0.05 -0.51 1.13 5.08 -0.75 -0.09 114.58 120.44 3mgp h GLU 63 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3mgp h GLU 63 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3mgp h GLU 63 CO -0.02 -0.03 0.19 -0.91 -1.00 0.00 0.00 179.01 177.23 3mgp h ASN 64 N -0.05 0.72 0.00 1.42 2.35 -0.98 -1.59 115.58 117.45 3mgp h ASN 64 Ca 0.16 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3mgp h ASN 64 Cb 0.30 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3mgp h ASN 64 CO -0.36 0.71 -0.02 0.58 -1.65 0.00 0.00 177.43 176.69 3mgp h VAL 65 N 0.69 1.67 -0.60 2.81 2.07 -1.32 -3.24 116.25 118.31 3mgp h VAL 65 Ca 0.17 -1.98 0.09 0.00 0.82 0.00 0.00 66.70 65.79 3mgp h VAL 65 Cb 0.23 3.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.94 3mgp h VAL 65 CO -0.01 0.52 0.24 0.40 0.02 0.00 0.00 177.57 178.74 3mgp h ILE 66 N -0.82 0.80 -0.59 4.57 2.04 -1.09 -0.07 117.51 122.35 3mgp h ILE 66 Ca -0.00 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.83 3mgp h ILE 66 Cb 0.86 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 37.15 3mgp h ILE 66 CO 0.00 0.08 -0.16 -0.09 0.00 0.00 0.00 178.15 177.99 3mgp h ARG 67 N 0.43 -0.01 -0.30 2.37 2.43 -1.39 0.26 114.38 118.17 3mgp h ARG 67 Ca 0.30 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.31 3mgp h ARG 67 Cb 0.35 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3mgp h ARG 67 CO -0.29 -0.01 -0.47 -0.44 -1.51 0.00 0.00 179.97 177.26 3mgp h ASP 68 N -0.01 0.88 -0.01 -3.80 5.19 -1.45 -2.23 116.42 114.98 3mgp h ASP 68 Ca 0.28 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3mgp h ASP 68 Cb 0.44 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 3mgp h ASP 68 CO -0.61 1.20 0.01 0.00 -3.12 0.00 0.00 179.24 176.72 3mgp h ALA 69 N 0.82 0.02 0.00 3.45 0.00 -0.18 -2.62 119.26 120.76 3mgp h ALA 69 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3mgp h ALA 69 Cb 1.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3mgp h ALA 69 CO 0.10 -0.41 -0.07 0.28 0.00 0.00 0.00 179.25 179.16 3mgp h VAL 70 N -0.13 0.80 0.00 0.00 2.07 -0.49 -0.47 116.25 118.03 3mgp h VAL 70 Ca 0.00 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3mgp h VAL 70 Cb 0.15 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3mgp h VAL 70 CO -0.00 0.07 -0.46 0.74 0.02 0.00 0.00 177.57 177.94 3mgp h THR 71 N 0.00 1.09 -0.07 2.57 2.02 -1.22 -1.70 112.91 115.60 3mgp h THR 71 Ca -0.00 -1.70 -0.23 0.00 0.77 0.00 0.00 66.41 65.25 3mgp h THR 71 Cb 0.14 1.98 0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3mgp h THR 71 CO 0.01 0.45 -0.87 1.88 0.37 0.00 0.00 175.52 177.35 3mgp h TYR 72 N 0.00 0.89 0.93 3.16 0.99 -0.75 -2.99 116.97 119.20 3mgp h TYR 72 Ca -0.00 -0.43 -0.05 0.00 2.00 0.00 0.00 58.73 60.25 3mgp h TYR 72 Cb 0.95 -0.12 0.01 0.00 1.00 0.00 0.00 36.73 38.57 3mgp h TYR 72 CO 0.00 1.25 -0.44 1.15 -0.00 0.00 0.00 178.16 180.12 3mgp h THR 73 N 0.40 0.05 -0.77 -2.88 2.02 -1.10 -2.51 112.91 108.12 3mgp h THR 73 Ca -0.08 -0.05 0.17 0.00 0.77 0.00 0.00 66.41 67.22 3mgp h THR 73 Cb 1.50 0.05 -0.14 0.00 -1.74 0.00 0.00 68.15 67.82 3mgp h THR 73 CO 0.17 0.00 -0.10 -0.33 0.37 0.00 0.00 175.52 175.63 3mgp h GLU 74 N -1.29 0.04 -0.79 6.66 5.08 -1.45 -0.14 114.58 122.69 3mgp h GLU 74 Ca -0.13 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3mgp h GLU 74 Cb 0.95 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 3mgp h GLU 74 CO 0.21 0.03 0.45 1.25 -1.00 0.00 0.00 179.01 179.95 3mgp h HIS 75 N 0.04 0.82 0.00 4.33 2.76 -1.49 -1.48 115.15 120.13 3mgp h HIS 75 Ca 0.40 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3mgp h HIS 75 Cb 0.67 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.38 3mgp h HIS 75 CO -0.53 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 176.47 3mgp n ALA 76 N -2.37 2.21 -3.36 5.26 0.00 -0.13 -4.87 120.51 117.26 3mgp n ALA 76 Ca 0.12 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3mgp n ALA 76 Cb 0.24 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.38 3mgp n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mgp n LYS 77 N -1.24 -6.40 -4.07 0.00 5.02 -0.56 -5.02 118.16 105.89 3mgp n LYS 77 Ca 0.12 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.88 3mgp n LYS 77 Cb 0.17 -5.37 -0.07 0.00 -0.02 0.00 0.00 35.03 29.74 3mgp n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgp s ARG 78 N -5.79 2.26 0.00 1.97 0.52 -1.08 -5.03 118.95 111.81 3mgp s ARG 78 Ca 0.33 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 3mgp s ARG 78 Cb -0.14 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.29 3mgp s ARG 78 CO 0.62 -0.11 0.54 1.63 0.02 0.00 0.00 175.30 178.00 3mgp n LYS 79 N -1.27 -0.25 -4.19 3.54 5.02 -1.26 -4.49 118.16 115.26 3mgp n LYS 79 Ca -0.01 -0.62 -0.29 0.00 -2.02 0.00 0.00 58.31 55.37 3mgp n LYS 79 Cb 0.64 -0.95 -0.17 0.00 -0.02 0.00 0.00 35.03 34.53 3mgp n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mgp s THR 80 N -0.16 1.53 -0.07 -0.18 2.01 -1.26 -5.10 115.64 112.41 3mgp s THR 80 Ca 0.00 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3mgp s THR 80 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3mgp s THR 80 CO 0.00 0.45 1.40 -0.69 -0.69 0.00 0.00 174.62 175.09 3mgp s VAL 81 N 1.30 3.90 0.20 3.82 1.01 -1.26 -4.93 120.40 124.44 3mgp s VAL 81 Ca 0.01 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 3mgp s VAL 81 Cb -0.14 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3mgp s VAL 81 CO -0.07 -0.06 0.43 0.42 0.00 0.00 0.00 175.10 175.82 3mgp s THR 82 N 3.08 5.13 0.34 3.92 -4.23 -1.26 -4.99 115.64 117.63 3mgp s THR 82 Ca 0.63 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.21 3mgp s THR 82 Cb -0.28 -3.68 0.35 0.00 1.34 0.00 0.00 72.50 70.23 3mgp s THR 82 CO 0.23 -0.11 1.61 0.00 -0.54 0.00 0.00 174.62 175.81 3mgp h ALA 83 N 2.31 1.79 -0.19 3.99 0.00 -1.96 -0.19 119.26 125.02 3mgp h ALA 83 Ca -0.47 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3mgp h ALA 83 Cb 1.18 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3mgp h ALA 83 CO 0.70 -0.71 -0.31 0.52 0.00 0.00 0.00 179.25 179.44 3mgp h MET 84 N 0.12 0.38 -0.74 0.00 2.86 -1.94 -0.24 114.93 115.37 3mgp h MET 84 Ca 0.73 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 58.21 3mgp h MET 84 Cb 1.74 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.34 3mgp h MET 84 CO -0.74 0.66 0.45 -0.44 1.06 0.00 0.00 176.91 177.91 3mgp h ASP 85 N 0.33 0.87 -0.02 1.22 3.32 -1.39 -0.99 116.42 119.78 3mgp h ASP 85 Ca 0.04 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3mgp h ASP 85 Cb 0.72 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3mgp h ASP 85 CO 0.05 0.67 0.00 0.58 -1.72 0.00 0.00 179.24 178.83 3mgp h VAL 86 N 1.00 1.21 -0.96 -1.35 2.07 -1.03 -2.08 116.25 115.10 3mgp h VAL 86 Ca 0.27 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3mgp h VAL 86 Cb -0.05 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3mgp h VAL 86 CO -0.05 0.16 0.63 0.58 0.02 0.00 0.00 177.57 178.91 3mgp h VAL 87 N -0.23 1.19 -0.14 2.57 2.07 -0.93 0.11 116.25 120.89 3mgp h VAL 87 Ca 0.00 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 3mgp h VAL 87 Cb 0.26 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3mgp h VAL 87 CO 0.00 0.23 -0.50 1.88 0.02 0.00 0.00 177.57 179.20 3mgp h TYR 88 N 1.24 0.47 -0.06 1.57 0.99 -1.16 -0.26 116.97 119.75 3mgp h TYR 88 Ca 0.37 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 3mgp h TYR 88 Cb -0.03 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 37.60 3mgp h TYR 88 CO -0.00 0.80 -0.16 0.00 -0.00 0.00 0.00 178.16 178.81 3mgp h ALA 89 N 1.17 0.10 -0.69 3.88 0.00 -0.54 -2.72 119.26 120.45 3mgp h ALA 89 Ca 0.01 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3mgp h ALA 89 Cb 0.98 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3mgp h ALA 89 CO 0.08 0.02 0.39 -0.07 0.00 0.00 0.00 179.25 179.68 3mgp h LEU 90 N -0.30 0.58 -0.31 0.00 3.38 -0.81 -1.51 115.31 116.35 3mgp h LEU 90 Ca -0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3mgp h LEU 90 Cb 0.76 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 3mgp h LEU 90 CO 0.03 0.37 -0.19 0.50 0.09 0.00 0.00 178.44 179.25 3mgp h LYS 91 N 0.72 -0.15 0.00 1.13 3.64 -0.99 0.82 116.57 121.74 3mgp h LYS 91 Ca 0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3mgp h LYS 91 Cb 0.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3mgp h LYS 91 CO -0.18 -0.10 0.00 2.89 -2.27 0.00 0.00 179.45 179.79 3mgp n ARG 92 N -5.35 0.23 -0.00 1.90 1.85 -1.03 -1.01 116.66 113.25 3mgp n ARG 92 Ca 0.00 0.32 0.15 0.00 -1.00 0.00 0.00 57.85 57.32 3mgp n ARG 92 Cb 0.26 -1.84 0.88 0.00 -1.05 0.00 0.00 32.46 30.71 3mgp n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3mgp n GLN 93 N -2.26 1.02 -2.73 2.89 1.13 -0.60 -4.91 117.38 111.93 3mgp n GLN 93 Ca 0.04 -0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 3mgp n GLN 93 Cb 0.33 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.24 3mgp n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgp n GLY 94 N 0.97 0.02 2.53 1.08 0.00 -0.18 -4.95 105.19 104.66 3mgp n GLY 94 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 3mgp n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgp n ARG 95 N -2.63 1.97 -0.59 1.61 1.74 0.24 -5.03 116.66 113.96 3mgp n ARG 95 Ca -0.06 -3.52 -0.23 0.00 -0.77 0.00 0.00 57.85 53.27 3mgp n ARG 95 Cb 0.57 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 3mgp n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3mgp n THR 96 N -0.55 0.00 -4.75 0.55 -1.04 -1.16 -4.50 114.28 102.83 3mgp n THR 96 Ca 0.15 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.90 3mgp n THR 96 Cb 0.86 -0.05 -0.16 0.00 -1.82 0.00 0.00 70.33 69.16 3mgp n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mgp s LEU 97 N 0.27 1.88 -0.08 -4.42 2.96 -1.26 -4.97 118.68 113.06 3mgp s LEU 97 Ca 0.36 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3mgp s LEU 97 Cb -0.50 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 3mgp s LEU 97 CO 0.24 0.13 0.08 -0.31 -1.32 0.00 0.00 176.35 175.18 3mgp s TYR 98 N 0.10 3.39 0.00 5.38 2.02 -1.26 -4.67 117.35 122.31 3mgp s TYR 98 Ca -0.04 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3mgp s TYR 98 Cb -0.11 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3mgp s TYR 98 CO 0.02 0.61 0.00 0.41 -1.57 0.00 0.00 175.55 175.02 3mgp n GLY 99 N 1.80 0.97 0.28 0.71 0.00 -1.26 -4.99 105.19 102.71 3mgp n GLY 99 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.86 3mgp n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mgp n PHE 100 N 0.00 0.00 0.12 1.61 3.01 -1.26 -4.91 117.46 116.02 3mgp n PHE 100 Ca 0.00 -0.15 -0.08 0.00 1.01 0.00 0.00 57.45 58.23 3mgp n PHE 100 Cb 0.00 -0.05 0.06 0.00 -0.01 0.00 0.00 39.48 39.48 3mgp n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mgp n GLY 101 N -0.20 2.94 0.00 1.37 0.00 -1.26 -4.61 105.19 103.43 3mgp n GLY 101 Ca 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.68 3mgp n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93