#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 -0.09 -0.61 1.08 1.01 -1.21 -4.86 120.40 115.71 1mc7 s VAL 2 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 1mc7 s VAL 2 Cb 0.00 -0.30 0.16 0.00 0.00 0.00 0.00 36.38 36.24 1mc7 s VAL 2 CO 0.00 0.08 0.54 -0.89 0.00 0.00 0.00 175.10 174.83 1mc7 s THR 3 N 1.41 5.00 1.47 3.92 2.01 -1.26 -4.11 115.64 124.08 1mc7 s THR 3 Ca -0.07 -1.95 -0.24 0.00 0.31 0.00 0.00 61.69 59.73 1mc7 s THR 3 Cb -0.11 -4.19 0.38 0.00 0.01 0.00 0.00 72.50 68.59 1mc7 s THR 3 CO -0.07 -0.90 0.91 -0.76 -0.69 0.00 0.00 174.62 173.11 1mc7 s LEU 4 N 1.01 -1.45 0.00 4.42 1.43 -1.26 -5.01 118.68 117.81 1mc7 s LEU 4 Ca 0.09 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 1mc7 s LEU 4 Cb -0.23 -2.13 0.18 0.00 0.03 0.00 0.00 46.19 44.04 1mc7 s LEU 4 CO -0.02 -5.59 0.86 -3.20 0.23 0.00 0.00 176.35 168.63 1mc7 n ASN 5 N -5.78 -0.80 -4.69 2.29 5.15 -1.26 -4.96 115.26 105.21 1mc7 n ASN 5 Ca 0.14 -1.16 -0.42 0.00 -0.60 0.00 0.00 54.58 52.53 1mc7 n ASN 5 Cb 0.61 -0.71 -0.03 0.00 -0.53 0.00 0.00 39.78 39.12 1mc7 n ASN 5 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1mc7 s MET 6 N -4.90 4.32 0.00 1.20 1.75 -1.26 -4.96 119.30 115.44 1mc7 s MET 6 Ca 0.51 1.88 0.00 0.00 -1.25 0.00 0.00 55.69 56.83 1mc7 s MET 6 Cb -0.03 -3.52 0.00 0.00 2.84 0.00 0.00 34.83 34.12 1mc7 s MET 6 CO 0.38 -0.50 0.00 -1.91 -0.65 0.00 0.00 175.02 172.34 1mc7 n GLU 7 N 5.06 0.00 -2.69 4.11 4.07 -1.26 -5.11 120.64 124.82 1mc7 n GLU 7 Ca 0.12 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.17 1mc7 n GLU 7 Cb 0.44 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.88 1mc7 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1mc7 n ARG 8 N -0.11 0.25 0.02 5.31 1.74 -1.26 -4.71 116.66 117.89 1mc7 n ARG 8 Ca 0.00 -0.97 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1mc7 n ARG 8 Cb 0.00 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 1mc7 n ARG 8 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1mc7 n HIS 9 N 1.94 -2.05 -1.05 -1.55 -0.00 -1.26 -5.09 115.22 106.15 1mc7 n HIS 9 Ca 0.07 0.16 -0.36 0.00 0.46 0.00 0.00 57.72 58.05 1mc7 n HIS 9 Cb 0.67 0.72 0.03 0.00 -0.12 0.00 0.00 29.99 31.29 1mc7 n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1mc7 n HIS 10 N -2.62 -4.37 -1.62 1.57 -0.00 -1.26 -4.93 115.22 101.99 1mc7 n HIS 10 Ca 0.00 0.12 -0.30 0.00 0.46 0.00 0.00 57.72 58.00 1mc7 n HIS 10 Cb 0.00 -1.47 0.21 0.00 -0.12 0.00 0.00 29.99 28.61 1mc7 n HIS 10 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1mc7 s PHE 11 N -1.95 1.11 0.10 1.57 -0.12 -1.26 -5.05 117.98 112.38 1mc7 s PHE 11 Ca 0.44 0.36 0.00 0.00 -0.05 0.00 0.00 56.93 57.68 1mc7 s PHE 11 Cb -0.28 -3.90 0.00 0.00 -0.63 0.00 0.00 43.02 38.22 1mc7 s PHE 11 CO 0.76 -3.15 0.00 1.28 -0.05 0.00 0.00 175.22 174.05 1mc7 n LEU 12 N -4.16 0.23 -1.39 -1.99 7.99 -1.26 -4.86 117.00 111.55 1mc7 n LEU 12 Ca 0.15 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 1mc7 n LEU 12 Cb 0.59 0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1mc7 n LEU 12 CO 0.45 -0.64 0.00 0.61 -1.51 0.00 0.00 177.39 176.30 1mc7 n GLY 13 N 2.47 0.57 3.63 -0.72 0.00 -1.26 -4.78 105.19 105.11 1mc7 n GLY 13 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1mc7 n GLY 13 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mc7 s ILE 14 N -2.93 1.23 0.01 -0.61 -4.36 -1.26 -3.90 121.20 109.38 1mc7 s ILE 14 Ca 0.00 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 1mc7 s ILE 14 Cb 0.00 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.28 1mc7 s ILE 14 CO 0.00 0.00 0.46 -0.44 0.24 0.00 0.00 174.94 175.20 1mc7 s SER 15 N -3.73 -0.37 0.53 4.36 0.01 -1.20 -5.02 113.70 108.28 1mc7 s SER 15 Ca 0.20 0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.75 1mc7 s SER 15 Cb 0.05 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.75 1mc7 s SER 15 CO 0.11 -0.60 0.48 0.27 0.41 0.00 0.00 173.24 173.90 1mc7 s ILE 16 N -1.87 1.91 0.05 1.44 -4.36 -1.26 0.22 121.20 117.33 1mc7 s ILE 16 Ca -0.09 -1.37 -0.27 0.00 -0.26 0.00 0.00 60.65 58.66 1mc7 s ILE 16 Cb -0.02 -2.28 0.10 0.00 1.25 0.00 0.00 42.46 41.50 1mc7 s ILE 16 CO 0.02 0.00 1.20 0.54 0.24 0.00 0.00 174.94 176.94 1mc7 s VAL 17 N -2.70 0.00 0.02 8.37 0.11 0.17 -3.74 120.40 122.62 1mc7 s VAL 17 Ca 0.42 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1mc7 s VAL 17 Cb -0.03 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1mc7 s VAL 17 CO 0.26 0.00 0.02 0.61 -3.33 0.00 0.00 175.10 172.66 1mc7 n GLY 18 N -0.67 3.29 2.80 6.54 0.00 -1.26 -0.20 105.19 115.68 1mc7 n GLY 18 Ca -0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1mc7 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc7 n GLN 19 N -0.03 1.63 -1.61 1.61 10.64 -1.25 -4.98 117.38 123.39 1mc7 n GLN 19 Ca 0.00 -3.12 -0.63 0.00 -1.83 0.00 0.00 57.00 51.42 1mc7 n GLN 19 Cb 0.03 -1.26 -0.09 0.00 -0.86 0.00 0.00 30.24 28.06 1mc7 n GLN 19 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1mc7 n SER 20 N -0.71 0.93 0.00 2.61 3.41 -1.26 -4.79 113.62 113.80 1mc7 n SER 20 Ca 0.03 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1mc7 n SER 20 Cb 0.81 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1mc7 n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mc7 n ASN 21 N 3.34 0.00 -1.01 4.04 2.85 -1.26 -5.12 115.26 118.10 1mc7 n ASN 21 Ca 0.27 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.87 1mc7 n ASN 21 Cb -0.03 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.94 1mc7 n ASN 21 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1mc7 n ASP 22 N 0.00 -6.04 -4.55 1.20 -0.08 -1.26 -4.78 116.55 101.04 1mc7 n ASP 22 Ca 0.00 0.73 -0.44 0.00 -1.51 0.00 0.00 54.79 53.57 1mc7 n ASP 22 Cb 0.00 -3.27 -0.01 0.00 2.34 0.00 0.00 41.12 40.18 1mc7 n ASP 22 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1mc7 n ARG 23 N -3.76 1.07 0.00 -0.67 0.00 -1.26 -4.66 116.66 107.38 1mc7 n ARG 23 Ca -0.03 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1mc7 n ARG 23 Cb 0.47 -1.72 0.00 0.00 -0.00 0.00 0.00 32.46 31.21 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mc7 n GLY 24 N 1.40 0.70 2.13 2.89 0.00 -1.26 -4.94 105.19 106.11 1mc7 n GLY 24 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1mc7 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mc7 n ASP 25 N -3.16 -9.03 0.10 1.61 8.00 -1.26 -4.56 116.55 108.25 1mc7 n ASP 25 Ca 0.00 1.51 0.00 0.00 0.71 0.00 0.00 54.79 57.01 1mc7 n ASP 25 Cb 0.00 -5.04 0.00 0.00 -0.02 0.00 0.00 41.12 36.06 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mc7 n GLY 26 N 1.85 -1.33 3.12 0.44 0.00 -1.26 -4.32 105.19 103.69 1mc7 n GLY 26 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1mc7 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc7 n GLY 27 N -1.27 0.12 3.66 -0.02 0.00 -1.26 -3.97 105.19 102.46 1mc7 n GLY 27 Ca 0.00 0.71 -0.44 0.00 0.00 0.00 0.00 46.02 46.28 1mc7 n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mc7 n ILE 28 N 0.27 1.32 -4.13 -0.61 2.08 -1.26 -4.83 119.36 112.19 1mc7 n ILE 28 Ca -0.05 -0.33 -0.10 0.00 0.56 0.00 0.00 62.75 62.83 1mc7 n ILE 28 Cb 0.56 -1.40 -0.10 0.00 -0.75 0.00 0.00 39.64 37.95 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 -0.43 0.76 -0.12 1.39 1.13 0.71 -4.46 117.35 116.32 1mc7 s TYR 29 Ca 0.64 -0.91 -0.34 0.00 -1.41 0.00 0.00 57.07 55.05 1mc7 s TYR 29 Cb -0.65 -0.46 -0.12 0.00 -1.10 0.00 0.00 41.96 39.63 1mc7 s TYR 29 CO 0.54 -0.21 1.91 1.51 -2.51 0.00 0.00 175.55 176.79 1mc7 n ILE 30 N 0.16 0.55 -0.22 -3.49 0.13 -1.11 0.44 119.36 115.81 1mc7 n ILE 30 Ca -0.14 -0.13 -0.04 0.00 -1.10 0.00 0.00 62.75 61.34 1mc7 n ILE 30 Cb 0.60 -1.87 0.06 0.00 -0.84 0.00 0.00 39.64 37.59 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 9.58 0.90 0.00 4.50 0.00 0.26 -3.36 103.07 114.95 1mc7 h GLY 31 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1mc7 h GLY 31 CO 0.95 0.26 0.00 -1.14 0.00 0.00 0.00 176.54 176.61 1mc7 n SER 32 N -4.70 0.00 -3.96 0.19 3.41 -1.24 -4.65 113.62 102.67 1mc7 n SER 32 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.43 1mc7 n SER 32 Cb 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.86 1mc7 n SER 32 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1mc7 s ILE 33 N -2.00 0.95 -0.86 -1.33 1.09 -1.26 -3.27 121.20 114.52 1mc7 s ILE 33 Ca 0.00 -0.34 -0.25 0.00 -1.10 0.00 0.00 60.65 58.96 1mc7 s ILE 33 Cb 0.00 -0.91 -0.11 0.00 -1.06 0.00 0.00 42.46 40.38 1mc7 s ILE 33 CO 0.00 0.32 2.21 -0.04 -0.10 0.00 0.00 174.94 177.34 1mc7 s MET 34 N 0.97 1.94 -0.82 2.79 -1.94 -1.25 -4.81 119.30 116.18 1mc7 s MET 34 Ca -0.09 0.10 -0.35 0.00 -1.71 0.00 0.00 55.69 53.64 1mc7 s MET 34 Cb -0.15 -4.91 -0.21 0.00 2.01 0.00 0.00 34.83 31.58 1mc7 s MET 34 CO 0.00 -4.12 2.47 1.63 -0.01 0.00 0.00 175.02 174.99 1mc7 n LYS 35 N 8.78 0.00 0.00 2.03 5.02 -1.26 -3.96 118.16 128.77 1mc7 n LYS 35 Ca 0.44 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1mc7 n LYS 35 Cb 0.45 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mc7 n GLY 36 N 6.74 0.33 0.00 0.72 0.00 -1.26 -4.91 105.19 106.82 1mc7 n GLY 36 Ca 0.61 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 2.50 0.00 -0.02 0.00 -1.25 -4.77 105.19 101.64 1mc7 n GLY 37 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.00 0.00 0.64 4.61 0.00 -1.26 -3.35 120.51 118.14 1mc7 n ALA 38 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1mc7 n ALA 38 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 1mc7 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 n VAL 39 N -0.12 0.56 -0.04 0.00 0.31 -1.26 -2.76 118.33 115.02 1mc7 n VAL 39 Ca 0.00 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 1mc7 n VAL 39 Cb 0.00 -0.68 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 1mc7 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mc7 h ALA 40 N 2.55 0.15 0.00 3.52 0.00 -1.90 -2.91 119.26 120.66 1mc7 h ALA 40 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1mc7 h ALA 40 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mc7 h ALA 40 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1mc7 h ALA 41 N 0.50 1.00 -0.70 0.00 0.00 -1.55 -2.94 119.26 115.58 1mc7 h ALA 41 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1mc7 h ALA 41 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1mc7 h ALA 41 CO 0.04 0.00 0.35 -0.44 0.00 0.00 0.00 179.25 179.21 1mc7 h ASP 42 N 0.00 0.90 0.00 0.00 3.32 -1.33 -3.47 116.42 115.84 1mc7 h ASP 42 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1mc7 h ASP 42 Cb 0.59 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1mc7 h ASP 42 CO 0.00 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 1mc7 n GLY 43 N -1.01 0.06 2.76 2.75 0.00 -1.11 -5.10 105.19 103.54 1mc7 n GLY 43 Ca 0.06 0.46 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 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 0.63 -0.49 1.61 3.00 -1.26 -4.92 116.66 115.23 1mc7 n ARG 44 Ca 0.00 -1.91 -0.16 0.00 -0.01 0.00 0.00 57.85 55.77 1mc7 n ARG 44 Cb 0.00 -1.46 0.15 0.00 0.00 0.00 0.00 32.46 31.15 1mc7 n ARG 44 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1mc7 n ILE 45 N 2.44 0.00 -4.00 0.55 0.13 -1.26 -5.04 119.36 112.18 1mc7 n ILE 45 Ca 0.14 -0.01 -0.08 0.00 -1.10 0.00 0.00 62.75 61.71 1mc7 n ILE 45 Cb 0.59 -0.50 -0.09 0.00 -0.84 0.00 0.00 39.64 38.79 1mc7 n ILE 45 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1mc7 s GLU 46 N -3.56 0.73 0.13 9.51 2.02 -1.26 -4.97 118.70 121.30 1mc7 s GLU 46 Ca 0.35 -1.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.15 1mc7 s GLU 46 Cb -0.06 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.34 1mc7 s GLU 46 CO 0.30 -0.19 1.31 -1.00 0.02 0.00 0.00 175.26 175.71 1mc7 h PRO 47 N 2.97 0.51 -1.13 0.39 0.13 -1.83 -3.15 132.00 129.89 1mc7 h PRO 47 Ca -0.34 -0.50 -0.15 0.00 -0.87 0.00 0.00 66.00 64.14 1mc7 h PRO 47 Cb 1.17 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1mc7 h PRO 47 CO 0.61 1.13 0.19 0.41 -0.23 0.00 0.00 178.00 180.12 1mc7 n GLY 48 N 0.85 2.82 0.10 1.56 0.00 -1.26 -2.76 105.19 106.51 1mc7 n GLY 48 Ca -0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 0.46 0.08 -1.36 1.61 1.82 -1.80 -3.22 116.42 114.00 1mc7 h ASP 49 Ca 0.18 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1mc7 h ASP 49 Cb 1.42 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1mc7 h ASP 49 CO 0.33 0.89 0.00 0.80 -1.61 0.00 0.00 179.24 179.65 1mc7 n MET 50 N -3.58 0.00 -2.80 0.28 0.00 -1.26 -2.99 117.12 106.78 1mc7 n MET 50 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.25 1mc7 n MET 50 Cb 0.81 -1.90 -0.01 0.00 0.00 0.00 0.00 33.22 32.12 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 -1.36 4.55 0.00 -0.89 1.98 -1.26 -2.87 118.68 118.83 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 -2.47 0.00 0.00 0.66 0.00 0.00 46.19 44.38 1mc7 s LEU 51 CO 0.00 -0.97 0.47 0.00 -1.89 0.00 0.00 176.35 173.96 1mc7 n LEU 52 N 6.86 0.91 -4.11 -0.68 -0.00 -1.23 -4.29 117.00 114.45 1mc7 n LEU 52 Ca 0.39 -0.91 -0.14 0.00 -0.00 0.00 0.00 56.01 55.35 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 0.66 0.23 -0.42 0.00 -0.00 0.00 0.00 177.39 177.86 1mc7 s GLN 53 N -0.13 0.67 0.03 1.47 -2.07 -0.84 -3.24 119.66 115.54 1mc7 s GLN 53 Ca 0.00 -0.91 -0.00 0.00 -1.82 0.00 0.00 55.36 52.63 1mc7 s GLN 53 Cb 0.00 -0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 31.44 1mc7 s GLN 53 CO 0.00 0.08 -0.03 0.08 -1.32 0.00 0.00 175.29 174.10 1mc7 s VAL 54 N -1.68 0.15 0.00 3.63 1.01 -1.21 0.26 120.40 122.55 1mc7 s VAL 54 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1mc7 s VAL 54 Cb -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1mc7 s VAL 54 CO 0.00 -0.62 0.00 -3.20 0.00 0.00 0.00 175.10 171.29 1mc7 n ASN 55 N 1.24 0.00 -0.01 3.32 2.85 0.14 0.17 115.26 122.98 1mc7 n ASN 55 Ca -0.22 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.34 1mc7 n ASN 55 Cb 0.56 0.00 0.54 0.00 1.24 0.00 0.00 39.78 42.12 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 -1.44 0.02 -4.88 1.20 5.75 -1.26 -4.82 116.55 111.12 1mc7 n ASP 56 Ca 0.00 -1.44 -0.30 0.00 -0.01 0.00 0.00 54.79 53.04 1mc7 n ASP 56 Cb 0.00 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1mc7 s VAL 57 N -2.00 4.65 -0.37 2.12 1.01 0.45 -5.06 120.40 121.20 1mc7 s VAL 57 Ca 0.27 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.97 1mc7 s VAL 57 Cb 0.13 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.85 1mc7 s VAL 57 CO 0.21 -1.02 0.53 0.20 0.00 0.00 0.00 175.10 175.02 1mc7 s ASN 58 N -4.18 -0.66 -0.05 3.32 0.01 -1.26 -3.35 114.94 108.78 1mc7 s ASN 58 Ca 0.53 -0.78 -0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1mc7 s ASN 58 Cb -0.11 1.53 0.04 0.00 0.41 0.00 0.00 41.25 43.12 1mc7 s ASN 58 CO 0.51 -0.23 1.86 0.49 -1.51 0.00 0.00 177.10 178.22 1mc7 n PHE 59 N 4.64 0.23 -2.22 2.20 3.72 -1.20 -4.91 117.46 119.93 1mc7 n PHE 59 Ca 0.09 -1.07 -0.36 0.00 -0.05 0.00 0.00 57.45 56.06 1mc7 n PHE 59 Cb 0.53 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1mc7 n PHE 59 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1mc7 s GLU 60 N -0.27 3.53 0.00 -1.08 0.41 -1.26 -3.02 118.70 117.01 1mc7 s GLU 60 Ca 0.05 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.34 1mc7 s GLU 60 Cb 0.04 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1mc7 s GLU 60 CO 0.00 -0.74 0.00 -1.71 -0.49 0.00 0.00 175.26 172.33 1mc7 n ASN 61 N -0.89 0.00 -0.34 -0.19 5.15 -1.26 -4.76 115.26 112.97 1mc7 n ASN 61 Ca 0.09 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.99 1mc7 n ASN 61 Cb 0.49 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.66 1mc7 n ASN 61 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1mc7 n MET 62 N 0.00 -0.36 -3.67 1.20 1.56 -1.17 -4.69 117.12 110.00 1mc7 n MET 62 Ca 0.00 1.35 -0.06 0.00 -0.27 0.00 0.00 57.70 58.72 1mc7 n MET 62 Cb 0.00 -1.99 0.00 0.00 2.15 0.00 0.00 33.22 33.38 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 -4.87 -0.47 -1.22 6.12 2.88 -1.26 -4.65 113.62 110.15 1mc7 n SER 63 Ca 0.02 -0.18 -0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1mc7 n SER 63 Cb 0.21 -0.21 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.45 3.15 -1.76 -3.46 2.85 -1.26 -4.82 115.26 110.41 1mc7 n ASN 64 Ca -0.02 -2.48 -0.09 0.00 -0.11 0.00 0.00 54.58 51.88 1mc7 n ASN 64 Cb 0.08 -0.60 -0.02 0.00 1.24 0.00 0.00 39.78 40.47 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 0.15 -2.62 -1.19 1.20 4.64 -1.26 -4.45 116.55 113.02 1mc7 n ASP 65 Ca 0.16 0.24 -0.02 0.00 -1.38 0.00 0.00 54.79 53.79 1mc7 n ASP 65 Cb 0.75 -2.46 0.00 0.00 -1.04 0.00 0.00 41.12 38.38 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 -0.72 -0.42 0.25 1.67 3.85 -1.26 -4.96 116.55 114.96 1mc7 n ASP 66 Ca -0.09 -1.00 0.14 0.00 -0.71 0.00 0.00 54.79 53.12 1mc7 n ASP 66 Cb 0.41 0.16 0.74 0.00 -1.35 0.00 0.00 41.12 41.09 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1mc7 h ALA 67 N 0.14 1.12 -0.88 2.12 0.00 -1.95 0.68 119.26 120.51 1mc7 h ALA 67 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1mc7 h ALA 67 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1mc7 h ALA 67 CO -0.09 -0.12 0.57 0.28 0.00 0.00 0.00 179.25 179.89 1mc7 h VAL 68 N 0.00 1.03 -0.51 0.00 2.07 -1.96 0.61 116.25 117.50 1mc7 h VAL 68 Ca 0.00 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.34 1mc7 h VAL 68 Cb 0.29 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1mc7 h VAL 68 CO 0.00 0.17 0.85 -0.09 0.02 0.00 0.00 177.57 178.53 1mc7 h ARG 69 N 0.95 0.00 0.00 1.57 2.43 -1.28 0.81 114.38 118.86 1mc7 h ARG 69 Ca 0.38 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.20 1mc7 h ARG 69 Cb 0.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1mc7 h ARG 69 CO -0.15 0.00 -2.18 1.55 -1.51 0.00 0.00 179.97 177.68 1mc7 n VAL 70 N -3.14 1.16 -0.29 0.20 3.14 0.09 -4.32 118.33 115.17 1mc7 n VAL 70 Ca 0.11 -0.30 0.10 0.00 -2.96 0.00 0.00 64.34 61.29 1mc7 n VAL 70 Cb 1.03 -1.76 0.26 0.00 -1.06 0.00 0.00 33.84 32.31 1mc7 n VAL 70 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1mc7 h LEU 71 N -0.72 0.28 -2.68 6.55 5.85 0.19 1.67 115.31 126.46 1mc7 h LEU 71 Ca -0.53 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1mc7 h LEU 71 Cb 1.48 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1mc7 h LEU 71 CO -0.31 0.03 -0.01 -0.09 -0.34 0.00 0.00 178.44 177.72 1mc7 h ARG 72 N 0.40 0.00 0.00 1.25 9.65 0.32 0.16 114.38 126.16 1mc7 h ARG 72 Ca 0.51 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.38 1mc7 h ARG 72 Cb 0.90 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 1mc7 h ARG 72 CO -0.50 0.01 -0.05 1.05 2.80 0.00 0.00 179.97 183.28 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.23 -2.91 114.58 116.21 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 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1mc7 h GLU 73 CO 0.00 0.05 0.00 -0.89 0.07 0.00 0.00 179.01 178.24 1mc7 n ILE 74 N -3.13 0.00 -0.36 -1.06 2.08 0.55 -1.26 119.36 116.19 1mc7 n ILE 74 Ca 0.02 0.26 0.33 0.00 0.56 0.00 0.00 62.75 63.92 1mc7 n ILE 74 Cb 0.46 -0.93 0.58 0.00 -0.75 0.00 0.00 39.64 39.00 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 -0.32 0.17 1.39 0.24 -1.25 0.83 118.33 119.39 1mc7 n VAL 75 Ca 0.00 1.79 -0.16 0.00 -2.04 0.00 0.00 64.34 63.93 1mc7 n VAL 75 Cb 0.00 -2.92 -0.09 0.00 -1.47 0.00 0.00 33.84 29.36 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 -1.44 0.00 -1.34 0.87 -1.59 -3.45 113.55 106.60 1mc7 h SER 76 Ca 0.80 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.50 1mc7 h SER 76 Cb 2.32 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 64.80 1mc7 h SER 76 CO -0.59 -0.57 0.00 0.00 -0.53 0.00 0.00 176.83 175.14 1mc7 n GLN 77 N -5.33 0.00 -0.15 2.24 6.02 0.24 -5.07 117.38 115.33 1mc7 n GLN 77 Ca -0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 1mc7 n GLN 77 Cb 0.41 0.00 0.06 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 -1.31 5.09 -2.24 -1.24 -4.76 114.28 109.82 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 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.85 -4.10 3.80 3.38 0.00 -1.26 -3.95 105.19 102.21 1mc7 n GLY 79 Ca 0.03 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.79 3.65 0.40 1.61 0.04 -1.26 -4.27 135.00 133.38 1mc7 s PRO 80 Ca 0.00 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 1mc7 s PRO 80 Cb 0.00 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 1mc7 s PRO 80 CO 0.00 -0.55 0.99 0.42 0.04 0.00 0.00 177.00 177.90 1mc7 s ILE 81 N -2.18 4.07 0.00 0.56 1.01 -1.26 -4.42 121.20 118.98 1mc7 s ILE 81 Ca 0.66 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1mc7 s ILE 81 Cb -0.16 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1mc7 s ILE 81 CO 0.26 -0.08 0.00 -1.20 0.00 0.00 0.00 174.94 173.92 1mc7 n SER 82 N -0.17 0.00 -2.76 3.58 7.64 -1.26 -4.69 113.62 115.96 1mc7 n SER 82 Ca 0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 1mc7 n SER 82 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1mc7 n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mc7 n LEU 83 N 0.00 -1.06 -3.92 -3.43 -0.00 -1.26 0.25 117.00 107.58 1mc7 n LEU 83 Ca 0.00 0.66 -0.15 0.00 -0.00 0.00 0.00 56.01 56.52 1mc7 n LEU 83 Cb 0.00 -0.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.69 1mc7 n LEU 83 CO 0.00 -2.09 -0.39 -0.89 -0.00 0.00 0.00 177.39 174.03 1mc7 s THR 84 N -0.74 0.25 0.07 1.47 2.01 0.74 -3.33 115.64 116.10 1mc7 s THR 84 Ca 0.40 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1mc7 s THR 84 Cb -0.54 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1mc7 s THR 84 CO 0.36 0.08 -0.11 0.68 -0.69 0.00 0.00 174.62 174.95 1mc7 s VAL 85 N 0.04 0.85 -0.45 3.82 -7.23 -1.26 -1.99 120.40 114.18 1mc7 s VAL 85 Ca 0.00 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1mc7 s VAL 85 Cb -0.03 -0.96 0.49 0.00 0.56 0.00 0.00 36.38 36.45 1mc7 s VAL 85 CO -0.00 -0.36 1.66 0.00 -0.31 0.00 0.00 175.10 176.09 1mc7 n ALA 86 N 1.19 5.45 -1.37 1.32 0.00 -1.14 -1.91 120.51 124.05 1mc7 n ALA 86 Ca -0.21 -3.43 0.17 0.00 0.00 0.00 0.00 53.44 49.98 1mc7 n ALA 86 Cb 0.55 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.93 -2.86 0.00 0.00 3.00 -1.16 -4.98 118.16 111.23 1mc7 n LYS 87 Ca 0.51 2.11 0.00 0.00 -0.00 0.00 0.00 58.31 60.93 1mc7 n LYS 87 Cb 0.95 -3.46 0.00 0.00 0.00 0.00 0.00 35.03 32.52 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 -3.11 0.00 -3.70 3.14 0.00 -1.22 -4.46 120.51 111.16 1mc7 n ALA 88 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1mc7 n ALA 88 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1mc7 n ALA 88 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1mc7 s TRP 89 N 0.00 -0.02 0.80 0.00 -0.11 -1.26 -4.62 118.94 113.73 1mc7 s TRP 89 Ca 0.00 -0.08 -0.15 0.00 1.22 0.00 0.00 56.10 57.09 1mc7 s TRP 89 Cb 0.00 0.54 -0.02 0.00 -1.50 0.00 0.00 33.47 32.49 1mc7 s TRP 89 CO 0.00 -0.24 0.43 -3.47 -4.62 0.00 0.00 176.95 169.04 1mc7 n ASP 90 N -0.64 -1.70 -2.99 5.86 2.03 -1.26 -4.99 116.55 112.85 1mc7 n ASP 90 Ca -0.06 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1mc7 n ASP 90 Cb 0.62 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1mc7 n ASP 90 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1mc7 n PRO 91 N -0.83 0.61 -3.69 -0.67 -0.04 -1.26 -5.11 135.00 124.01 1mc7 n PRO 91 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1mc7 n PRO 91 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 1mc7 n PRO 91 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mc7 s THR 92 N -0.26 -0.00 1.01 0.52 2.01 -1.26 -5.17 115.64 112.49 1mc7 s THR 92 Ca 0.00 0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 1mc7 s THR 92 Cb 0.00 -0.75 0.20 0.00 0.01 0.00 0.00 72.50 71.96 1mc7 s THR 92 CO 0.00 0.01 1.19 -2.16 -0.69 0.00 0.00 174.62 172.96 1mc7 s PRO 93 N 0.59 0.31 0.93 4.92 0.04 -1.26 -5.04 135.00 135.49 1mc7 s PRO 93 Ca -0.02 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 1mc7 s PRO 93 Cb -0.05 -1.77 0.15 0.00 0.04 0.00 0.00 34.50 32.87 1mc7 s PRO 93 CO -0.03 -2.70 1.10 -0.98 0.04 0.00 0.00 177.00 174.43 1mc7 s ARG 94 N -5.50 0.97 0.00 4.56 1.70 -1.26 -5.35 118.95 114.07 1mc7 s ARG 94 Ca 0.69 0.53 0.05 0.00 -0.47 0.00 0.00 55.73 56.53 1mc7 s ARG 94 Cb -0.10 -1.80 0.04 0.00 -0.57 0.00 0.00 34.95 32.52 1mc7 s ARG 94 CO 0.54 -2.37 0.65 0.43 -1.08 0.00 0.00 175.30 173.47