#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc7 s VAL 2 N 0.00 -0.00 -0.67 1.08 1.01 -1.24 -4.86 120.40 115.72 1mc7 s VAL 2 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1mc7 s VAL 2 Cb 0.00 -0.64 0.15 0.00 0.00 0.00 0.00 36.38 35.89 1mc7 s VAL 2 CO 0.00 0.00 0.68 -0.89 0.00 0.00 0.00 175.10 174.89 1mc7 s THR 3 N 0.38 5.20 -0.91 3.92 2.01 -1.26 -4.15 115.64 120.83 1mc7 s THR 3 Ca -0.01 -1.67 -0.25 0.00 0.31 0.00 0.00 61.69 60.07 1mc7 s THR 3 Cb -0.04 -4.45 -0.19 0.00 0.01 0.00 0.00 72.50 67.84 1mc7 s THR 3 CO -0.01 -1.03 2.23 0.18 -0.69 0.00 0.00 174.62 175.30 1mc7 n LEU 4 N 5.24 1.36 -1.06 4.42 4.77 -1.26 -4.66 117.00 125.81 1mc7 n LEU 4 Ca -0.02 -1.92 0.13 0.00 -0.03 0.00 0.00 56.01 54.17 1mc7 n LEU 4 Cb 0.43 -1.63 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 1mc7 n LEU 4 CO 0.49 -3.07 -0.24 -3.20 -1.33 0.00 0.00 177.39 170.05 1mc7 n ASN 5 N 18.54 -5.91 -4.78 -1.43 2.85 -1.26 -4.89 115.26 118.38 1mc7 n ASN 5 Ca 0.43 0.52 -0.22 0.00 -0.11 0.00 0.00 54.58 55.20 1mc7 n ASN 5 Cb 0.44 -3.37 0.09 0.00 1.24 0.00 0.00 39.78 38.18 1mc7 n ASN 5 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1mc7 s MET 6 N -2.38 1.88 0.33 1.20 1.75 -1.26 -4.97 119.30 115.84 1mc7 s MET 6 Ca 0.00 -1.28 0.00 0.00 -1.25 0.00 0.00 55.69 53.16 1mc7 s MET 6 Cb 0.00 -2.43 0.00 0.00 2.84 0.00 0.00 34.83 35.24 1mc7 s MET 6 CO 0.00 -1.26 0.00 0.39 -0.65 0.00 0.00 175.02 173.50 1mc7 n GLU 7 N -2.65 -2.09 -3.61 4.11 1.02 -1.26 -4.89 120.64 111.28 1mc7 n GLU 7 Ca 0.15 1.58 -0.29 0.00 -0.02 0.00 0.00 57.16 58.58 1mc7 n GLU 7 Cb 0.61 -2.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.38 1mc7 n GLU 7 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1mc7 s ARG 8 N -2.92 0.31 0.00 3.49 3.52 -1.26 -4.84 118.95 117.26 1mc7 s ARG 8 Ca 0.00 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1mc7 s ARG 8 Cb 0.00 -1.51 0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1mc7 s ARG 8 CO 0.00 -0.93 0.00 1.58 -0.81 0.00 0.00 175.30 175.14 1mc7 n HIS 9 N 5.16 0.00 0.00 5.12 -0.00 -1.26 -5.04 115.22 119.20 1mc7 n HIS 9 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1mc7 n HIS 9 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1mc7 n HIS 9 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1mc7 n HIS 10 N 0.00 0.00 -2.63 1.57 8.25 -1.26 -5.17 115.22 115.98 1mc7 n HIS 10 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1mc7 n HIS 10 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1mc7 n HIS 10 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1mc7 s PHE 11 N -1.33 3.46 -0.18 4.41 5.36 -1.26 -5.02 117.98 123.42 1mc7 s PHE 11 Ca 0.00 0.71 -0.08 0.00 -0.96 0.00 0.00 56.93 56.60 1mc7 s PHE 11 Cb 0.00 -2.40 0.07 0.00 -0.34 0.00 0.00 43.02 40.35 1mc7 s PHE 11 CO 0.00 -0.41 0.41 -1.17 -1.46 0.00 0.00 175.22 172.59 1mc7 s LEU 12 N -4.78 -0.30 -1.15 6.12 1.98 -1.26 -5.09 118.68 114.21 1mc7 s LEU 12 Ca 0.49 0.92 -0.17 0.00 -2.89 0.00 0.00 54.13 52.48 1mc7 s LEU 12 Cb -0.10 1.33 0.13 0.00 0.66 0.00 0.00 46.19 48.21 1mc7 s LEU 12 CO 0.44 -0.21 1.44 -0.83 -1.89 0.00 0.00 176.35 175.30 1mc7 s GLY 13 N 1.86 2.01 0.42 7.98 0.00 -1.26 -4.96 107.32 113.37 1mc7 s GLY 13 Ca -0.06 -3.02 0.07 0.00 0.00 0.00 0.00 44.72 41.70 1mc7 s GLY 13 CO -0.13 2.26 0.03 -0.26 0.00 0.00 0.00 173.10 175.00 1mc7 s ILE 14 N 2.76 1.96 0.04 0.90 -5.25 -1.26 -3.55 121.20 116.80 1mc7 s ILE 14 Ca 0.43 -1.97 -0.21 0.00 -0.99 0.00 0.00 60.65 57.92 1mc7 s ILE 14 Cb -0.01 -2.93 0.04 0.00 2.95 0.00 0.00 42.46 42.51 1mc7 s ILE 14 CO -0.01 0.00 0.47 -0.44 -1.79 0.00 0.00 174.94 173.17 1mc7 s SER 15 N -3.74 -0.37 0.44 4.36 0.01 -1.25 -5.04 113.70 108.11 1mc7 s SER 15 Ca 0.33 0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.77 1mc7 s SER 15 Cb 0.09 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 1mc7 s SER 15 CO 0.17 -0.68 0.20 0.27 0.41 0.00 0.00 173.24 173.60 1mc7 s ILE 16 N -2.39 2.10 0.25 1.44 -5.25 -1.26 0.19 121.20 116.28 1mc7 s ILE 16 Ca -0.06 -1.69 -0.21 0.00 -0.99 0.00 0.00 60.65 57.70 1mc7 s ILE 16 Cb -0.01 -2.79 0.05 0.00 2.95 0.00 0.00 42.46 42.66 1mc7 s ILE 16 CO -0.01 0.00 0.86 0.54 -1.79 0.00 0.00 174.94 174.53 1mc7 s VAL 17 N -2.65 0.00 0.00 8.37 0.11 0.12 -4.07 120.40 122.27 1mc7 s VAL 17 Ca 0.37 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1mc7 s VAL 17 Cb 0.03 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1mc7 s VAL 17 CO 0.20 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 1mc7 n GLY 18 N -0.51 4.93 0.00 6.54 0.00 -1.26 -0.83 105.19 114.05 1mc7 n GLY 18 Ca -0.05 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1mc7 n GLY 18 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mc7 n GLN 19 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.95 117.38 112.78 1mc7 n GLN 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1mc7 n GLN 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1mc7 n GLN 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1mc7 n SER 20 N 0.00 0.00 -4.29 1.69 7.64 -1.26 -4.69 113.62 112.71 1mc7 n SER 20 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1mc7 n SER 20 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1mc7 n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1mc7 n ASN 21 N 2.94 0.84 -3.60 6.43 5.15 -1.26 -4.72 115.26 121.04 1mc7 n ASN 21 Ca 0.00 -1.26 0.01 0.00 -0.60 0.00 0.00 54.58 52.73 1mc7 n ASN 21 Cb 0.00 -1.70 -0.01 0.00 -0.53 0.00 0.00 39.78 37.54 1mc7 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1mc7 s ASP 22 N -4.38 -0.05 -0.82 1.20 -1.08 -1.26 -5.07 116.67 105.20 1mc7 s ASP 22 Ca 0.01 -0.07 -0.25 0.00 -0.52 0.00 0.00 52.55 51.71 1mc7 s ASP 22 Cb -0.00 0.11 -0.09 0.00 -1.46 0.00 0.00 42.92 41.47 1mc7 s ASP 22 CO 0.99 -0.19 2.20 -0.13 0.52 0.00 0.00 175.17 178.56 1mc7 s ARG 23 N -2.29 2.05 0.00 4.34 0.52 -1.26 -4.24 118.95 118.07 1mc7 s ARG 23 Ca 0.13 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 1mc7 s ARG 23 Cb 0.04 -4.89 0.00 0.00 0.52 0.00 0.00 34.95 30.62 1mc7 s ARG 23 CO -0.05 -3.91 0.00 0.41 0.02 0.00 0.00 175.30 171.77 1mc7 n GLY 24 N 6.78 0.00 0.00 -3.53 0.00 -1.26 -4.98 105.19 102.20 1mc7 n GLY 24 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1mc7 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mc7 n ASP 25 N 1.50 0.00 -0.35 1.61 2.03 -1.26 -5.18 116.55 114.90 1mc7 n ASP 25 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1mc7 n ASP 25 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mc7 n GLY 26 N 0.00 0.97 3.15 0.27 0.00 -1.26 -4.56 105.19 103.76 1mc7 n GLY 26 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 46.02 45.32 1mc7 n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mc7 s GLY 27 N -1.45 -0.79 0.27 -0.02 0.00 -1.26 -5.03 107.32 99.04 1mc7 s GLY 27 Ca 0.00 1.66 -0.28 0.00 0.00 0.00 0.00 44.72 46.10 1mc7 s GLY 27 CO 0.00 3.12 0.87 1.39 0.00 0.00 0.00 173.10 178.47 1mc7 n ILE 28 N 5.41 2.00 -4.16 0.90 2.08 -1.26 -4.92 119.36 119.41 1mc7 n ILE 28 Ca -0.03 -0.50 -0.17 0.00 0.56 0.00 0.00 62.75 62.61 1mc7 n ILE 28 Cb 0.50 -0.73 -0.12 0.00 -0.75 0.00 0.00 39.64 38.55 1mc7 n ILE 28 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 1mc7 s TYR 29 N -1.07 1.10 -0.13 1.39 1.13 -0.01 -3.94 117.35 115.81 1mc7 s TYR 29 Ca 0.60 -0.51 -0.36 0.00 -1.41 0.00 0.00 57.07 55.39 1mc7 s TYR 29 Cb -0.75 -0.61 -0.13 0.00 -1.10 0.00 0.00 41.96 39.36 1mc7 s TYR 29 CO 0.59 0.03 1.81 1.51 -2.51 0.00 0.00 175.55 176.97 1mc7 n ILE 30 N 1.13 0.45 -0.21 -3.49 0.13 -0.47 0.12 119.36 117.01 1mc7 n ILE 30 Ca -0.20 -0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.37 1mc7 n ILE 30 Cb 0.55 -1.62 0.12 0.00 -0.84 0.00 0.00 39.64 37.84 1mc7 n ILE 30 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1mc7 h GLY 31 N 8.29 0.91 0.00 4.50 0.00 0.20 -3.36 103.07 113.62 1mc7 h GLY 31 Ca -0.48 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1mc7 h GLY 31 CO 0.95 -0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.92 1mc7 n SER 32 N -4.96 0.00 -4.31 0.19 7.64 -1.25 -4.67 113.62 106.25 1mc7 n SER 32 Ca 0.09 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.63 1mc7 n SER 32 Cb 0.28 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 1mc7 n SER 32 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1mc7 s ILE 33 N -2.00 3.09 0.54 0.44 1.09 -1.26 -3.84 121.20 119.26 1mc7 s ILE 33 Ca 0.00 -0.61 0.41 0.00 -1.10 0.00 0.00 60.65 59.35 1mc7 s ILE 33 Cb 0.00 -2.36 0.61 0.00 -1.06 0.00 0.00 42.46 39.65 1mc7 s ILE 33 CO 0.00 0.48 1.41 0.23 -0.10 0.00 0.00 174.94 176.96 1mc7 n MET 34 N 4.26 0.00 -1.66 2.79 2.81 -1.23 -4.67 117.12 119.43 1mc7 n MET 34 Ca -0.19 1.01 -0.15 0.00 -1.81 0.00 0.00 57.70 56.56 1mc7 n MET 34 Cb 0.51 -2.39 -0.05 0.00 -0.71 0.00 0.00 33.22 30.58 1mc7 n MET 34 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mc7 n LYS 35 N -3.62 -1.10 0.00 0.03 4.81 -1.26 -4.97 118.16 112.05 1mc7 n LYS 35 Ca 0.37 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.77 1mc7 n LYS 35 Cb 1.79 -5.16 0.00 0.00 0.02 0.00 0.00 35.03 31.68 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mc7 n GLY 36 N -1.08 -1.40 0.00 3.14 0.00 -1.26 -4.70 105.19 99.88 1mc7 n GLY 36 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1mc7 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc7 n GLY 37 N 1.65 0.00 0.00 -0.02 0.00 -1.26 -4.48 105.19 101.08 1mc7 n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mc7 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mc7 n ALA 38 N -0.22 0.00 0.35 4.61 0.00 -1.26 -3.36 120.51 120.63 1mc7 n ALA 38 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1mc7 n ALA 38 Cb 0.06 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.08 1mc7 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 h VAL 39 N 0.00 0.00 -0.05 0.00 2.07 -1.96 -2.80 116.25 113.50 1mc7 h VAL 39 Ca 0.00 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1mc7 h VAL 39 Cb 0.00 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1mc7 h VAL 39 CO 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.42 1mc7 h ALA 40 N 2.16 0.09 -0.03 1.67 0.00 -1.78 -2.94 119.26 118.42 1mc7 h ALA 40 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1mc7 h ALA 40 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1mc7 h ALA 40 CO 0.00 0.02 0.04 0.00 0.00 0.00 0.00 179.25 179.31 1mc7 h ALA 41 N 0.43 1.59 -0.17 0.00 0.00 -1.50 -1.11 119.26 118.50 1mc7 h ALA 41 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mc7 h ALA 41 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1mc7 h ALA 41 CO 0.04 -0.06 0.10 0.22 0.00 0.00 0.00 179.25 179.54 1mc7 h ASP 42 N 0.00 0.21 0.00 0.00 3.58 -1.43 -3.49 116.42 115.30 1mc7 h ASP 42 Ca 0.02 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1mc7 h ASP 42 Cb 0.10 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1mc7 h ASP 42 CO -0.00 0.23 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 1mc7 n GLY 43 N -0.94 -0.53 2.73 -0.78 0.00 -0.42 -5.00 105.19 100.25 1mc7 n GLY 43 Ca -0.04 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1mc7 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mc7 n ARG 44 N 0.00 3.03 -0.94 1.61 1.74 -1.26 -4.64 116.66 116.19 1mc7 n ARG 44 Ca 0.00 -4.58 -0.36 0.00 -0.77 0.00 0.00 57.85 52.14 1mc7 n ARG 44 Cb 0.00 -2.16 0.06 0.00 -1.02 0.00 0.00 32.46 29.34 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1mc7 n ILE 45 N -0.27 0.00 -4.30 0.55 2.08 -1.26 -5.00 119.36 111.16 1mc7 n ILE 45 Ca 0.32 -0.26 -0.16 0.00 0.56 0.00 0.00 62.75 63.21 1mc7 n ILE 45 Cb 0.51 -0.14 -0.10 0.00 -0.75 0.00 0.00 39.64 39.16 1mc7 n ILE 45 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1mc7 s GLU 46 N -2.35 1.22 0.16 0.38 2.02 -1.26 -4.94 118.70 113.92 1mc7 s GLU 46 Ca 0.42 -1.55 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 1mc7 s GLU 46 Cb -0.07 -0.79 -0.01 0.00 0.10 0.00 0.00 34.13 33.36 1mc7 s GLU 46 CO 0.73 0.07 1.38 -1.00 0.02 0.00 0.00 175.26 176.45 1mc7 h PRO 47 N 2.63 0.35 -0.81 0.39 0.13 -1.83 -3.01 132.00 129.84 1mc7 h PRO 47 Ca -0.37 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1mc7 h PRO 47 Cb 1.21 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mc7 h PRO 47 CO 0.64 1.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.82 1mc7 n GLY 48 N 0.77 1.33 0.32 1.56 0.00 -1.26 -1.37 105.19 106.55 1mc7 n GLY 48 Ca -0.05 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1mc7 n GLY 48 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1mc7 h ASP 49 N 0.51 0.10 -1.61 1.61 1.82 -1.81 -3.40 116.42 113.64 1mc7 h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1mc7 h ASP 49 Cb 0.60 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1mc7 h ASP 49 CO 0.05 0.07 0.00 0.80 -1.61 0.00 0.00 179.24 178.55 1mc7 n MET 50 N -4.47 0.00 -2.90 0.28 0.00 -1.26 -3.91 117.12 104.87 1mc7 n MET 50 Ca 0.04 0.00 -0.44 0.00 -0.00 0.00 0.00 57.70 57.30 1mc7 n MET 50 Cb 0.32 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 31.90 1mc7 n MET 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1mc7 s LEU 51 N -1.61 4.91 0.00 -0.89 1.98 -1.25 -3.40 118.68 118.42 1mc7 s LEU 51 Ca 0.00 -2.61 0.00 0.00 -2.89 0.00 0.00 54.13 48.63 1mc7 s LEU 51 Cb 0.00 -2.42 0.00 0.00 0.66 0.00 0.00 46.19 44.43 1mc7 s LEU 51 CO 0.00 -0.90 0.34 0.00 -1.89 0.00 0.00 176.35 173.90 1mc7 n LEU 52 N 6.24 0.62 -4.07 -0.68 -0.00 -1.24 -4.21 117.00 113.66 1mc7 n LEU 52 Ca 0.34 -0.62 -0.11 0.00 -0.00 0.00 0.00 56.01 55.62 1mc7 n LEU 52 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.76 1mc7 n LEU 52 CO 0.60 0.15 -0.38 0.00 -0.00 0.00 0.00 177.39 177.76 1mc7 s GLN 53 N -0.08 0.55 0.03 1.47 -2.07 -0.95 -3.42 119.66 115.20 1mc7 s GLN 53 Ca 0.00 -0.92 -0.00 0.00 -1.82 0.00 0.00 55.36 52.62 1mc7 s GLN 53 Cb 0.00 -0.10 -0.03 0.00 -1.09 0.00 0.00 33.01 31.79 1mc7 s GLN 53 CO 0.00 -0.01 -0.03 0.08 -1.32 0.00 0.00 175.29 174.01 1mc7 s VAL 54 N -2.26 0.17 0.00 3.63 1.01 -1.07 0.28 120.40 122.16 1mc7 s VAL 54 Ca -0.04 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1mc7 s VAL 54 Cb -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1mc7 s VAL 54 CO -0.03 -0.64 0.00 -3.20 0.00 0.00 0.00 175.10 171.23 1mc7 n ASN 55 N 1.14 0.00 0.00 3.32 2.85 0.90 0.16 115.26 123.64 1mc7 n ASN 55 Ca -0.21 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.38 1mc7 n ASN 55 Cb 0.57 0.00 0.72 0.00 1.24 0.00 0.00 39.78 42.31 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1mc7 n ASP 56 N -1.93 0.00 -4.83 1.20 5.68 -1.26 -4.77 116.55 110.64 1mc7 n ASP 56 Ca 0.00 -0.91 -0.33 0.00 -0.50 0.00 0.00 54.79 53.05 1mc7 n ASP 56 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1mc7 s VAL 57 N -2.00 4.53 -0.39 2.12 1.01 0.44 -5.05 120.40 121.06 1mc7 s VAL 57 Ca 0.37 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.61 1mc7 s VAL 57 Cb 0.17 -3.61 0.16 0.00 0.00 0.00 0.00 36.38 33.10 1mc7 s VAL 57 CO 0.28 -0.26 0.43 0.54 0.00 0.00 0.00 175.10 176.09 1mc7 s ASN 58 N -2.24 0.62 -0.06 3.32 4.22 -1.26 -2.61 114.94 116.92 1mc7 s ASN 58 Ca 0.58 -1.57 -0.06 0.00 -2.14 0.00 0.00 52.86 49.67 1mc7 s ASN 58 Cb -0.10 0.79 -0.26 0.00 1.28 0.00 0.00 41.25 42.97 1mc7 s ASN 58 CO 0.15 -0.23 3.59 0.49 -2.04 0.00 0.00 177.10 179.07 1mc7 n PHE 59 N 4.10 0.11 0.00 1.54 3.72 -1.22 -4.59 117.46 121.11 1mc7 n PHE 59 Ca 0.13 -1.56 0.00 0.00 -0.05 0.00 0.00 57.45 55.97 1mc7 n PHE 59 Cb 0.48 -1.63 0.00 0.00 -0.94 0.00 0.00 39.48 37.39 1mc7 n PHE 59 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1mc7 n GLU 60 N 2.51 0.00 -0.44 -1.08 1.02 -1.26 -2.26 120.64 119.12 1mc7 n GLU 60 Ca 0.44 0.27 0.41 0.00 -0.02 0.00 0.00 57.16 58.26 1mc7 n GLU 60 Cb 0.89 -1.22 0.69 0.00 -0.02 0.00 0.00 31.44 31.78 1mc7 n GLU 60 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1mc7 h ASN 61 N 0.00 0.00 0.00 1.62 4.21 -1.98 -1.68 115.58 117.75 1mc7 h ASN 61 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1mc7 h ASN 61 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1mc7 h ASN 61 CO 0.00 0.00 0.00 0.80 -1.29 0.00 0.00 177.43 176.94 1mc7 n MET 62 N -3.75 0.00 -3.59 0.81 1.56 -1.05 -4.79 117.12 106.31 1mc7 n MET 62 Ca 0.32 0.11 -0.19 0.00 -0.27 0.00 0.00 57.70 57.68 1mc7 n MET 62 Cb 1.65 -1.09 -0.04 0.00 2.15 0.00 0.00 33.22 35.89 1mc7 n MET 62 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1mc7 n SER 63 N -0.79 -0.05 -1.56 6.12 2.88 -0.63 -4.70 113.62 114.88 1mc7 n SER 63 Ca 0.00 -0.71 -0.09 0.00 -1.33 0.00 0.00 58.87 56.75 1mc7 n SER 63 Cb 0.00 -0.87 0.13 0.00 -0.75 0.00 0.00 64.21 62.72 1mc7 n SER 63 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1mc7 n ASN 64 N -1.31 3.47 -2.37 -3.46 2.85 -1.26 -4.83 115.26 108.35 1mc7 n ASN 64 Ca -0.16 -2.78 -0.01 0.00 -0.11 0.00 0.00 54.58 51.52 1mc7 n ASN 64 Cb 0.37 -0.66 -0.00 0.00 1.24 0.00 0.00 39.78 40.72 1mc7 n ASN 64 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1mc7 n ASP 65 N -0.20 -1.17 -0.96 1.20 4.64 -1.26 -4.43 116.55 114.37 1mc7 n ASP 65 Ca 0.28 0.44 -0.04 0.00 -1.38 0.00 0.00 54.79 54.08 1mc7 n ASP 65 Cb 1.05 -1.16 -0.03 0.00 -1.04 0.00 0.00 41.12 39.93 1mc7 n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1mc7 n ASP 66 N -1.32 -0.69 0.16 1.67 5.68 -1.26 -4.80 116.55 115.98 1mc7 n ASP 66 Ca -0.01 -1.36 0.11 0.00 -0.50 0.00 0.00 54.79 53.02 1mc7 n ASP 66 Cb 0.47 0.22 0.57 0.00 -1.14 0.00 0.00 41.12 41.24 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mc7 n ALA 67 N -0.09 1.08 -0.30 2.12 0.00 -1.26 -1.48 120.51 120.58 1mc7 n ALA 67 Ca -0.18 0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1mc7 n ALA 67 Cb 0.57 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.86 1mc7 n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 h VAL 68 N 0.00 0.97 -1.00 0.00 2.07 -1.96 0.22 116.25 116.56 1mc7 h VAL 68 Ca 0.00 -0.30 0.29 0.00 0.82 0.00 0.00 66.70 67.51 1mc7 h VAL 68 Cb 0.02 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1mc7 h VAL 68 CO 0.00 0.16 1.07 -0.09 0.02 0.00 0.00 177.57 178.74 1mc7 h ARG 69 N 0.88 0.00 0.00 1.57 2.43 -1.69 0.96 114.38 118.53 1mc7 h ARG 69 Ca 0.39 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.25 1mc7 h ARG 69 Cb 0.27 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1mc7 h ARG 69 CO -0.21 0.00 -2.04 0.28 -1.51 0.00 0.00 179.97 176.49 1mc7 n VAL 70 N -3.42 1.03 -0.29 0.20 0.31 0.14 -4.37 118.33 111.93 1mc7 n VAL 70 Ca 0.22 -0.29 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1mc7 n VAL 70 Cb 1.39 -1.60 0.25 0.00 -0.91 0.00 0.00 33.84 32.97 1mc7 n VAL 70 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1mc7 h LEU 71 N -0.51 0.30 -2.34 7.52 5.85 0.16 1.70 115.31 127.99 1mc7 h LEU 71 Ca -0.46 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1mc7 h LEU 71 Cb 1.47 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1mc7 h LEU 71 CO -0.24 0.05 0.00 -0.09 -0.34 0.00 0.00 178.44 177.82 1mc7 h ARG 72 N 0.43 0.00 0.00 1.25 2.43 0.61 0.97 114.38 120.06 1mc7 h ARG 72 Ca 0.50 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.63 1mc7 h ARG 72 Cb 0.86 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1mc7 h ARG 72 CO -0.48 0.00 -0.17 1.05 -1.51 0.00 0.00 179.97 178.86 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.24 -3.01 114.58 116.11 1mc7 h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1mc7 h GLU 73 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mc7 h GLU 73 CO 0.00 0.17 0.00 -0.89 0.07 0.00 0.00 179.01 178.36 1mc7 n ILE 74 N -3.16 0.00 -0.33 -1.06 2.08 0.33 -1.36 119.36 115.87 1mc7 n ILE 74 Ca 0.03 0.29 0.31 0.00 0.56 0.00 0.00 62.75 63.94 1mc7 n ILE 74 Cb 0.57 -0.97 0.56 0.00 -0.75 0.00 0.00 39.64 39.05 1mc7 n ILE 74 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1mc7 n VAL 75 N 0.00 -0.34 0.12 1.39 0.24 -1.25 0.73 118.33 119.23 1mc7 n VAL 75 Ca 0.00 1.78 -0.14 0.00 -2.04 0.00 0.00 64.34 63.94 1mc7 n VAL 75 Cb 0.00 -2.90 -0.08 0.00 -1.47 0.00 0.00 33.84 29.38 1mc7 n VAL 75 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1mc7 h SER 76 N 0.00 -1.32 0.00 -1.34 0.87 -1.60 -3.47 113.55 106.69 1mc7 h SER 76 Ca 0.78 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.47 1mc7 h SER 76 Cb 2.20 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 64.64 1mc7 h SER 76 CO -0.62 -0.49 0.00 0.00 -0.53 0.00 0.00 176.83 175.20 1mc7 n GLN 77 N -5.00 0.00 -0.39 2.24 6.02 0.22 -5.08 117.38 115.40 1mc7 n GLN 77 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 1mc7 n GLN 77 Cb 0.35 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.73 1mc7 n GLN 77 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1mc7 n THR 78 N 0.00 0.00 -0.61 5.09 -2.24 -1.25 -4.74 114.28 110.53 1mc7 n THR 78 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1mc7 n THR 78 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1mc7 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mc7 n GLY 79 N -1.12 -3.44 3.79 3.38 0.00 -1.26 -3.93 105.19 102.61 1mc7 n GLY 79 Ca 0.06 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1mc7 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mc7 s PRO 80 N -2.78 3.95 0.34 1.61 0.04 -1.26 -4.42 135.00 132.49 1mc7 s PRO 80 Ca 0.00 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.22 1mc7 s PRO 80 Cb 0.00 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 1mc7 s PRO 80 CO 0.00 -0.31 0.98 0.42 0.04 0.00 0.00 177.00 178.12 1mc7 s ILE 81 N -1.84 4.07 0.00 0.56 1.01 -1.26 -4.47 121.20 119.27 1mc7 s ILE 81 Ca 0.63 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.97 1mc7 s ILE 81 Cb -0.19 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1mc7 s ILE 81 CO 0.23 0.10 0.00 -1.20 0.00 0.00 0.00 174.94 174.08 1mc7 n SER 82 N 0.40 0.00 -2.27 3.58 7.64 -1.26 -4.75 113.62 116.97 1mc7 n SER 82 Ca 0.03 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.67 1mc7 n SER 82 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1mc7 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mc7 n LEU 83 N 0.00 -1.07 -4.04 -3.43 4.32 -1.26 -0.07 117.00 111.45 1mc7 n LEU 83 Ca 0.00 0.51 -0.17 0.00 -0.02 0.00 0.00 56.01 56.32 1mc7 n LEU 83 Cb 0.00 -0.48 -0.14 0.00 -1.62 0.00 0.00 43.42 41.19 1mc7 n LEU 83 CO 0.00 -1.87 -0.43 -0.89 -1.22 0.00 0.00 177.39 172.98 1mc7 s THR 84 N -0.70 0.70 0.05 -5.08 2.01 0.81 -3.63 115.64 109.80 1mc7 s THR 84 Ca 0.32 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1mc7 s THR 84 Cb -0.41 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1mc7 s THR 84 CO 0.31 0.02 -0.05 0.68 -0.69 0.00 0.00 174.62 174.90 1mc7 s VAL 85 N -0.56 0.36 -0.41 3.82 -7.23 -1.26 -2.23 120.40 112.88 1mc7 s VAL 85 Ca 0.00 -1.48 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1mc7 s VAL 85 Cb -0.05 -1.08 0.34 0.00 0.56 0.00 0.00 36.38 36.14 1mc7 s VAL 85 CO 0.00 -0.74 1.93 0.00 -0.31 0.00 0.00 175.10 175.99 1mc7 n ALA 86 N 0.69 5.35 -1.13 1.32 0.00 -1.22 -1.73 120.51 123.79 1mc7 n ALA 86 Ca -0.18 -2.24 0.13 0.00 0.00 0.00 0.00 53.44 51.16 1mc7 n ALA 86 Cb 0.58 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 1mc7 n ALA 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mc7 n LYS 87 N -0.23 -2.16 0.00 0.00 3.00 -1.25 -4.99 118.16 112.52 1mc7 n LYS 87 Ca 0.42 1.56 0.00 0.00 -0.00 0.00 0.00 58.31 60.29 1mc7 n LYS 87 Cb 0.77 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 33.09 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mc7 n ALA 88 N -2.57 0.00 -1.86 3.14 0.00 -1.26 -4.66 120.51 113.30 1mc7 n ALA 88 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1mc7 n ALA 88 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1mc7 n ALA 88 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1mc7 n TRP 89 N 0.00 -0.58 -1.39 0.00 5.03 -1.26 -4.75 117.44 114.49 1mc7 n TRP 89 Ca 0.00 0.21 -0.49 0.00 3.03 0.00 0.00 57.50 60.25 1mc7 n TRP 89 Cb 0.00 -2.56 -0.13 0.00 -1.03 0.00 0.00 31.31 27.59 1mc7 n TRP 89 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1mc7 n ASP 90 N -1.61 0.60 -2.91 -0.99 9.92 -1.26 -4.87 116.55 115.42 1mc7 n ASP 90 Ca -0.01 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1mc7 n ASP 90 Cb 0.52 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1mc7 n ASP 90 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1mc7 n PRO 91 N 8.07 0.50 -1.37 -0.24 -0.04 -1.26 -4.91 135.00 135.74 1mc7 n PRO 91 Ca 0.60 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.59 1mc7 n PRO 91 Cb 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.45 1mc7 n PRO 91 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1mc7 n THR 92 N -0.92 1.89 -0.89 0.52 -1.04 -1.26 -4.69 114.28 107.89 1mc7 n THR 92 Ca 0.00 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.05 61.32 1mc7 n THR 92 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1mc7 n THR 92 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1mc7 n PRO 93 N 0.99 2.28 -4.00 -2.82 -0.04 -1.26 -4.61 135.00 125.54 1mc7 n PRO 93 Ca 0.18 -1.37 -0.28 0.00 -0.04 0.00 0.00 63.50 61.98 1mc7 n PRO 93 Cb 0.24 -2.32 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1mc7 n PRO 93 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mc7 n ARG 94 N 3.43 -0.85 0.00 0.54 1.85 -1.26 -5.32 116.66 115.04 1mc7 n ARG 94 Ca 0.49 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 57.39 1mc7 n ARG 94 Cb 0.37 -2.75 0.00 0.00 -1.05 0.00 0.00 32.46 29.04 1mc7 n ARG 94 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49