#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc7 n VAL 2 N 0.00 0.77 -3.62 1.08 0.31 -1.26 -4.78 118.33 110.83 1mc7 n VAL 2 Ca 0.00 -0.19 -0.39 0.00 -0.01 0.00 0.00 64.34 63.74 1mc7 n VAL 2 Cb 0.00 -0.49 -0.09 0.00 -0.91 0.00 0.00 33.84 32.34 1mc7 n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1mc7 s THR 3 N -0.22 3.96 1.11 2.52 2.01 -1.26 -4.25 115.64 119.50 1mc7 s THR 3 Ca 0.77 -1.99 -0.15 0.00 0.31 0.00 0.00 61.69 60.63 1mc7 s THR 3 Cb -0.98 -3.63 0.24 0.00 0.01 0.00 0.00 72.50 68.14 1mc7 s THR 3 CO 0.54 -0.77 0.54 0.18 -0.69 0.00 0.00 174.62 174.41 1mc7 n LEU 4 N 4.67 0.00 -4.42 4.42 4.77 -1.26 -5.02 117.00 120.15 1mc7 n LEU 4 Ca -0.04 -0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 55.19 1mc7 n LEU 4 Cb 0.41 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1mc7 n LEU 4 CO 0.39 -2.53 -0.25 0.20 -1.33 0.00 0.00 177.39 173.87 1mc7 s ASN 5 N -2.29 2.07 0.21 -1.43 0.01 -1.26 -4.89 114.94 107.36 1mc7 s ASN 5 Ca 0.41 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 1mc7 s ASN 5 Cb -0.07 0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.68 1mc7 s ASN 5 CO 0.35 -0.70 0.00 0.80 -1.51 0.00 0.00 177.10 176.04 1mc7 n MET 6 N -0.65 -1.57 -3.01 -0.60 1.56 -1.26 -4.97 117.12 106.62 1mc7 n MET 6 Ca -0.02 1.09 -0.19 0.00 -0.27 0.00 0.00 57.70 58.31 1mc7 n MET 6 Cb 0.66 -1.90 0.05 0.00 2.15 0.00 0.00 33.22 34.19 1mc7 n MET 6 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1mc7 n GLU 7 N -3.00 0.64 -2.80 2.12 2.13 -1.26 -4.94 120.64 113.54 1mc7 n GLU 7 Ca -0.01 -2.99 -0.42 0.00 0.66 0.00 0.00 57.16 54.40 1mc7 n GLU 7 Cb 0.35 -0.13 -0.03 0.00 0.27 0.00 0.00 31.44 31.90 1mc7 n GLU 7 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1mc7 s ARG 8 N -4.42 4.22 -0.30 5.31 1.70 -1.26 -4.81 118.95 119.39 1mc7 s ARG 8 Ca 0.52 1.11 0.02 0.00 -0.47 0.00 0.00 55.73 56.91 1mc7 s ARG 8 Cb -0.04 -3.64 0.12 0.00 -0.57 0.00 0.00 34.95 30.82 1mc7 s ARG 8 CO 0.33 -0.56 1.16 1.58 -1.08 0.00 0.00 175.30 176.74 1mc7 n HIS 9 N 6.11 -0.05 -3.59 5.89 -0.00 -1.26 -5.07 115.22 117.24 1mc7 n HIS 9 Ca 0.08 -0.53 0.01 0.00 0.46 0.00 0.00 57.72 57.74 1mc7 n HIS 9 Cb 0.47 1.11 -0.01 0.00 -0.12 0.00 0.00 29.99 31.44 1mc7 n HIS 9 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1mc7 s HIS 10 N 0.00 -0.03 0.91 1.57 -3.43 -1.26 -5.18 115.29 107.88 1mc7 s HIS 10 Ca 0.07 -0.01 -0.11 0.00 -0.80 0.00 0.00 55.06 54.21 1mc7 s HIS 10 Cb 0.11 0.52 0.20 0.00 -1.43 0.00 0.00 32.58 31.98 1mc7 s HIS 10 CO -0.08 -0.12 1.24 -0.06 -2.00 0.00 0.00 174.74 173.72 1mc7 s PHE 11 N -2.20 1.32 -0.21 0.38 0.40 -1.26 -4.94 117.98 111.47 1mc7 s PHE 11 Ca 0.14 0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.42 1mc7 s PHE 11 Cb 0.05 -3.83 0.09 0.00 0.51 0.00 0.00 43.02 39.84 1mc7 s PHE 11 CO -0.05 -2.50 0.46 -1.17 0.70 0.00 0.00 175.22 172.66 1mc7 s LEU 12 N -5.70 -0.69 -1.05 -0.37 1.98 -1.26 -4.78 118.68 106.81 1mc7 s LEU 12 Ca 0.74 1.09 -0.03 0.00 -2.89 0.00 0.00 54.13 53.03 1mc7 s LEU 12 Cb -0.03 1.52 0.31 0.00 0.66 0.00 0.00 46.19 48.65 1mc7 s LEU 12 CO 0.51 -0.23 1.50 0.61 -1.89 0.00 0.00 176.35 176.85 1mc7 n GLY 13 N 5.31 5.32 3.61 7.98 0.00 -1.26 -4.98 105.19 121.16 1mc7 n GLY 13 Ca -0.10 -2.66 -0.28 0.00 0.00 0.00 0.00 46.02 42.98 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 -3.04 1.12 0.08 -0.61 -4.36 -1.26 -3.67 121.20 109.46 1mc7 s ILE 14 Ca 0.33 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.49 1mc7 s ILE 14 Cb 0.08 -2.47 0.06 0.00 1.25 0.00 0.00 42.46 41.38 1mc7 s ILE 14 CO 0.07 0.00 0.55 -0.44 0.24 0.00 0.00 174.94 175.35 1mc7 s SER 15 N -3.70 -0.48 0.47 4.36 0.01 -1.25 -5.03 113.70 108.09 1mc7 s SER 15 Ca 0.22 0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.65 1mc7 s SER 15 Cb 0.05 0.53 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 1mc7 s SER 15 CO 0.11 -0.80 0.32 0.27 0.41 0.00 0.00 173.24 173.55 1mc7 s ILE 16 N -2.89 2.13 0.32 1.44 -5.25 -1.26 0.19 121.20 115.88 1mc7 s ILE 16 Ca -0.03 -1.52 -0.19 0.00 -0.99 0.00 0.00 60.65 57.93 1mc7 s ILE 16 Cb -0.00 -2.65 0.05 0.00 2.95 0.00 0.00 42.46 42.80 1mc7 s ILE 16 CO -0.05 0.00 0.81 0.54 -1.79 0.00 0.00 174.94 174.45 1mc7 s VAL 17 N -2.64 0.00 0.00 8.37 0.11 0.10 -3.91 120.40 122.44 1mc7 s VAL 17 Ca 0.40 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1mc7 s VAL 17 Cb -0.01 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1mc7 s VAL 17 CO 0.23 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 1mc7 n GLY 18 N -0.52 4.99 2.01 6.54 0.00 -1.26 -1.32 105.19 115.63 1mc7 n GLY 18 Ca -0.06 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.92 117.38 112.80 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 -2.74 0.00 -0.58 1.69 7.64 -1.20 -4.87 113.62 113.55 1mc7 n SER 20 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1mc7 n SER 20 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.55 -3.46 -0.04 6.43 5.15 -1.26 -4.35 115.26 119.29 1mc7 n ASN 21 Ca 0.00 0.42 -0.10 0.00 -0.60 0.00 0.00 54.58 54.31 1mc7 n ASN 21 Cb 0.00 -1.88 -0.03 0.00 -0.53 0.00 0.00 39.78 37.34 1mc7 n ASN 21 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1mc7 h ASP 22 N -0.56 -1.04 -4.76 1.20 5.19 -1.93 -3.43 116.42 111.09 1mc7 h ASP 22 Ca -0.04 0.16 -0.22 0.00 -0.62 0.00 0.00 57.03 56.31 1mc7 h ASP 22 Cb 0.54 0.45 -0.17 0.00 0.18 0.00 0.00 39.33 40.34 1mc7 h ASP 22 CO 0.02 -0.35 -0.71 -0.60 -3.12 0.00 0.00 179.24 174.49 1mc7 s ARG 23 N -5.99 0.68 0.00 3.56 3.52 -1.26 -5.10 118.95 114.36 1mc7 s ARG 23 Ca -0.15 -1.11 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 1mc7 s ARG 23 Cb 0.11 -0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 1mc7 s ARG 23 CO 0.66 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.55 1mc7 n GLY 24 N 0.52 0.77 2.95 8.12 0.00 -1.26 -4.89 105.19 111.40 1mc7 n GLY 24 Ca -0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.99 -7.05 0.00 1.61 -0.08 -1.26 -4.43 116.55 102.35 1mc7 n ASP 25 Ca 0.00 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1mc7 n ASP 25 Cb 0.00 -3.43 0.00 0.00 2.34 0.00 0.00 41.12 40.03 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mc7 n GLY 26 N 1.09 5.05 1.46 0.27 0.00 -1.26 -3.26 105.19 108.54 1mc7 n GLY 26 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -2.46 3.50 -0.02 0.00 -1.26 -4.93 105.19 100.01 1mc7 n GLY 27 Ca 0.00 -0.25 -0.47 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.07 1.82 -4.10 -0.61 2.08 -1.26 -4.90 119.36 112.32 1mc7 n ILE 28 Ca 0.00 -0.46 -0.13 0.00 0.56 0.00 0.00 62.75 62.72 1mc7 n ILE 28 Cb 0.00 -0.49 -0.11 0.00 -0.75 0.00 0.00 39.64 38.29 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 -0.91 0.80 -0.07 1.39 1.13 -0.43 -4.16 117.35 115.09 1mc7 s TYR 29 Ca 0.64 -0.58 -0.37 0.00 -1.41 0.00 0.00 57.07 55.35 1mc7 s TYR 29 Cb -0.84 -0.46 -0.15 0.00 -1.10 0.00 0.00 41.96 39.40 1mc7 s TYR 29 CO 0.57 -0.07 1.60 1.51 -2.51 0.00 0.00 175.55 176.65 1mc7 n ILE 30 N 1.13 0.20 -0.14 -3.49 0.13 -0.97 0.03 119.36 116.24 1mc7 n ILE 30 Ca -0.20 -0.04 -0.06 0.00 -1.10 0.00 0.00 62.75 61.35 1mc7 n ILE 30 Cb 0.56 -1.20 0.03 0.00 -0.84 0.00 0.00 39.64 38.19 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 6.36 0.61 -3.37 4.50 0.00 0.20 -3.37 103.07 108.01 1mc7 h GLY 31 Ca -0.47 -0.18 0.32 0.00 0.00 0.00 0.00 47.33 47.00 1mc7 h GLY 31 CO 0.88 0.14 0.89 -0.56 0.00 0.00 0.00 176.54 177.89 1mc7 s SER 32 N -5.50 -0.06 -0.18 0.19 0.01 -1.24 -4.67 113.70 102.25 1mc7 s SER 32 Ca -0.13 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1mc7 s SER 32 Cb 0.12 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.46 1mc7 s SER 32 CO 0.73 -0.17 -0.17 -0.63 0.41 0.00 0.00 173.24 173.40 1mc7 s ILE 33 N -2.27 2.31 0.59 1.44 1.09 -1.26 -3.74 121.20 119.36 1mc7 s ILE 33 Ca 0.12 -0.86 0.32 0.00 -1.10 0.00 0.00 60.65 59.14 1mc7 s ILE 33 Cb 0.02 -1.98 0.47 0.00 -1.06 0.00 0.00 42.46 39.91 1mc7 s ILE 33 CO -0.04 0.52 1.51 0.24 -0.10 0.00 0.00 174.94 177.07 1mc7 h MET 34 N 7.88 0.00 0.00 2.79 2.86 -1.96 -3.43 114.93 123.07 1mc7 h MET 34 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1mc7 h MET 34 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1mc7 h MET 34 CO 0.62 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.76 1mc7 n LYS 35 N -3.54 -0.03 -3.08 1.72 4.81 -1.26 -4.87 118.16 111.90 1mc7 n LYS 35 Ca 0.24 0.01 -0.18 0.00 -0.87 0.00 0.00 58.31 57.52 1mc7 n LYS 35 Cb 1.42 -2.90 -0.04 0.00 0.02 0.00 0.00 35.03 33.53 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 -2.03 1.30 0.00 3.14 0.00 -1.26 -4.07 105.19 102.27 1mc7 n GLY 36 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 2.32 2.67 0.00 -0.02 0.00 -1.26 -4.83 105.19 104.06 1mc7 n GLY 37 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.57 4.61 0.00 -1.26 -3.38 120.51 118.05 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 0.44 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.46 0.65 -0.03 0.00 0.31 -1.26 -2.38 118.33 115.16 1mc7 n VAL 39 Ca 0.00 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 1mc7 n VAL 39 Cb 0.00 -0.76 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 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 2.47 0.10 0.00 3.52 0.00 -1.87 -2.89 119.26 120.58 1mc7 h ALA 40 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1mc7 h ALA 40 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1mc7 h ALA 40 CO 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1mc7 h ALA 41 N 0.55 1.00 -0.64 0.00 0.00 -1.56 -3.12 119.26 115.49 1mc7 h ALA 41 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1mc7 h ALA 41 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1mc7 h ALA 41 CO 0.02 0.00 0.40 0.22 0.00 0.00 0.00 179.25 179.89 1mc7 h ASP 42 N 0.00 0.67 0.00 0.00 -0.00 -1.26 -3.48 116.42 112.36 1mc7 h ASP 42 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1mc7 h ASP 42 Cb 0.68 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.86 1mc7 h ASP 42 CO 0.00 0.47 0.00 0.61 -0.00 0.00 0.00 179.24 180.32 1mc7 n GLY 43 N -1.27 2.95 2.65 -0.78 0.00 -1.18 -5.06 105.19 102.49 1mc7 n GLY 43 Ca 0.06 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1mc7 n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mc7 n ARG 44 N 0.00 2.78 -0.85 1.61 0.63 -1.26 -4.79 116.66 114.77 1mc7 n ARG 44 Ca 0.00 -4.36 -0.34 0.00 -0.92 0.00 0.00 57.85 52.22 1mc7 n ARG 44 Cb 0.00 -2.06 0.10 0.00 0.45 0.00 0.00 32.46 30.95 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1mc7 n ILE 45 N -0.24 0.00 -4.52 5.15 2.08 -1.26 -5.01 119.36 115.56 1mc7 n ILE 45 Ca 0.31 -0.27 -0.25 0.00 0.56 0.00 0.00 62.75 63.09 1mc7 n ILE 45 Cb 0.57 -0.36 -0.10 0.00 -0.75 0.00 0.00 39.64 38.99 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 -2.93 1.77 0.12 0.38 2.02 -1.26 -4.82 118.70 113.98 1mc7 s GLU 46 Ca 0.49 -1.89 -0.08 0.00 0.02 0.00 0.00 54.97 53.50 1mc7 s GLU 46 Cb -0.14 -1.69 -0.12 0.00 0.10 0.00 0.00 34.13 32.28 1mc7 s GLU 46 CO 0.71 0.18 1.29 -1.00 0.02 0.00 0.00 175.26 176.46 1mc7 h PRO 47 N 2.09 0.58 -1.23 0.39 0.13 -1.83 -3.16 132.00 128.96 1mc7 h PRO 47 Ca -0.41 -0.56 -0.15 0.00 -0.87 0.00 0.00 66.00 64.00 1mc7 h PRO 47 Cb 1.25 0.15 -0.08 0.00 0.13 0.00 0.00 31.00 32.45 1mc7 h PRO 47 CO 0.68 1.18 0.20 0.41 -0.23 0.00 0.00 178.00 180.24 1mc7 n GLY 48 N 0.87 2.90 0.12 1.56 0.00 -1.26 -2.29 105.19 107.09 1mc7 n GLY 48 Ca -0.08 -0.40 -0.02 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 0.58 0.00 -1.26 1.61 1.82 -1.84 -3.00 116.42 114.33 1mc7 h ASP 49 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1mc7 h ASP 49 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1mc7 h ASP 49 CO 0.34 0.71 0.00 0.80 -1.61 0.00 0.00 179.24 179.48 1mc7 n MET 50 N -3.55 0.00 -2.81 0.28 0.00 -1.26 -2.07 117.12 107.71 1mc7 n MET 50 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.27 1mc7 n MET 50 Cb 0.73 -2.08 -0.02 0.00 0.00 0.00 0.00 33.22 31.85 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 -1.26 4.58 0.00 -0.89 1.98 -1.26 -2.38 118.68 119.45 1mc7 s LEU 51 Ca 0.00 -2.10 0.00 0.00 -2.89 0.00 0.00 54.13 49.14 1mc7 s LEU 51 Cb 0.00 -2.46 0.00 0.00 0.66 0.00 0.00 46.19 44.39 1mc7 s LEU 51 CO 0.00 -1.13 0.57 0.00 -1.89 0.00 0.00 176.35 173.90 1mc7 n LEU 52 N 7.11 0.44 -4.06 -0.68 -0.00 -1.23 -4.11 117.00 114.48 1mc7 n LEU 52 Ca 0.30 -0.44 -0.11 0.00 -0.00 0.00 0.00 56.01 55.76 1mc7 n LEU 52 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.79 1mc7 n LEU 52 CO 0.58 0.11 -0.39 0.00 -0.00 0.00 0.00 177.39 177.70 1mc7 s GLN 53 N -0.21 0.52 0.04 1.47 -2.07 -0.92 -3.34 119.66 115.15 1mc7 s GLN 53 Ca 0.00 -0.83 -0.02 0.00 -1.82 0.00 0.00 55.36 52.69 1mc7 s GLN 53 Cb 0.00 -0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 1mc7 s GLN 53 CO 0.00 0.01 0.01 0.08 -1.32 0.00 0.00 175.29 174.06 1mc7 s VAL 54 N -1.87 0.16 0.00 3.63 1.01 -1.17 0.26 120.40 122.42 1mc7 s VAL 54 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1mc7 s VAL 54 Cb -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1mc7 s VAL 54 CO -0.01 -0.71 0.00 -3.20 0.00 0.00 0.00 175.10 171.17 1mc7 n ASN 55 N 0.82 0.00 -0.01 3.32 2.85 0.36 0.11 115.26 122.71 1mc7 n ASN 55 Ca -0.19 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.33 1mc7 n ASN 55 Cb 0.58 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.88 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 -2.44 0.03 -4.89 1.20 5.75 -1.26 -4.81 116.55 110.14 1mc7 n ASP 56 Ca 0.00 -1.71 -0.29 0.00 -0.01 0.00 0.00 54.79 52.78 1mc7 n ASP 56 Cb 0.00 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.99 4.88 -0.39 2.12 1.01 0.31 -5.07 120.40 121.28 1mc7 s VAL 57 Ca 0.14 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.51 1mc7 s VAL 57 Cb 0.07 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.84 1mc7 s VAL 57 CO 0.11 -0.57 0.48 0.20 0.00 0.00 0.00 175.10 175.32 1mc7 s ASN 58 N -3.46 0.10 -0.25 3.32 -0.87 -1.26 -3.05 114.94 109.47 1mc7 s ASN 58 Ca 0.48 -1.29 -0.05 0.00 -1.57 0.00 0.00 52.86 50.43 1mc7 s ASN 58 Cb -0.10 1.11 -0.19 0.00 -0.02 0.00 0.00 41.25 42.05 1mc7 s ASN 58 CO 0.35 -0.22 2.91 0.49 -2.57 0.00 0.00 177.10 178.06 1mc7 n PHE 59 N 4.29 0.38 0.27 2.20 3.72 -1.21 -4.46 117.46 122.65 1mc7 n PHE 59 Ca 0.11 -1.46 -0.11 0.00 -0.05 0.00 0.00 57.45 55.94 1mc7 n PHE 59 Cb 0.50 -1.50 -0.05 0.00 -0.94 0.00 0.00 39.48 37.48 1mc7 n PHE 59 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1mc7 h GLU 60 N 4.00 -0.71 0.00 -1.08 4.39 -1.96 -2.62 114.58 116.60 1mc7 h GLU 60 Ca 0.26 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1mc7 h GLU 60 Cb 1.02 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1mc7 h GLU 60 CO 0.55 -0.47 0.05 -2.95 -1.16 0.00 0.00 179.01 175.02 1mc7 h ASN 61 N -1.07 0.00 0.00 1.42 7.08 -1.99 -3.04 115.58 117.98 1mc7 h ASN 61 Ca -0.08 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 1mc7 h ASN 61 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 1mc7 h ASN 61 CO 0.12 0.00 0.00 0.80 -2.08 0.00 0.00 177.43 176.27 1mc7 n MET 62 N -2.74 0.00 -3.43 4.14 1.56 -1.09 -4.82 117.12 110.74 1mc7 n MET 62 Ca -0.02 0.27 -0.14 0.00 -0.27 0.00 0.00 57.70 57.53 1mc7 n MET 62 Cb 0.10 -1.08 -0.02 0.00 2.15 0.00 0.00 33.22 34.37 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 -1.31 -0.29 -1.56 6.12 2.88 -1.01 -4.68 113.62 113.78 1mc7 n SER 63 Ca 0.00 -0.50 -0.07 0.00 -1.33 0.00 0.00 58.87 56.97 1mc7 n SER 63 Cb 0.00 -0.62 0.16 0.00 -0.75 0.00 0.00 64.21 63.00 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 -0.71 3.57 -2.22 -3.46 2.85 -1.26 -4.83 115.26 109.19 1mc7 n ASN 64 Ca -0.10 -2.78 -0.03 0.00 -0.11 0.00 0.00 54.58 51.57 1mc7 n ASN 64 Cb 0.25 -0.66 -0.00 0.00 1.24 0.00 0.00 39.78 40.61 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 -0.13 -1.43 -0.97 1.20 -0.08 -1.26 -4.44 116.55 109.44 1mc7 n ASP 65 Ca 0.27 0.37 -0.04 0.00 -1.51 0.00 0.00 54.79 53.88 1mc7 n ASP 65 Cb 1.03 -1.40 -0.03 0.00 2.34 0.00 0.00 41.12 43.07 1mc7 n ASP 65 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mc7 n ASP 66 N -1.14 -0.66 0.16 1.67 8.00 -1.26 -4.83 116.55 118.49 1mc7 n ASP 66 Ca -0.03 -1.31 0.11 0.00 0.71 0.00 0.00 54.79 54.27 1mc7 n ASP 66 Cb 0.44 0.22 0.58 0.00 -0.02 0.00 0.00 41.12 42.34 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mc7 n ALA 67 N -0.11 1.09 -0.28 2.24 0.00 -1.26 -1.12 120.51 121.07 1mc7 n ALA 67 Ca -0.17 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1mc7 n ALA 67 Cb 0.56 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.85 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 1.23 -0.38 0.00 2.07 -1.96 0.17 116.25 117.38 1mc7 h VAL 68 Ca 0.00 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.14 1mc7 h VAL 68 Cb 0.03 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1mc7 h VAL 68 CO 0.00 0.24 0.77 -0.09 0.02 0.00 0.00 177.57 178.51 1mc7 h ARG 69 N 1.15 0.00 0.00 1.57 2.43 -1.55 0.72 114.38 118.70 1mc7 h ARG 69 Ca 0.30 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.24 1mc7 h ARG 69 Cb -0.06 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1mc7 h ARG 69 CO -0.06 0.00 -1.80 0.28 -1.51 0.00 0.00 179.97 176.88 1mc7 n VAL 70 N -3.08 0.80 -0.32 0.20 0.31 -0.38 -4.39 118.33 111.47 1mc7 n VAL 70 Ca 0.08 -0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1mc7 n VAL 70 Cb 0.91 -1.39 0.28 0.00 -0.91 0.00 0.00 33.84 32.73 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 -0.30 0.56 -2.01 7.52 5.85 0.98 1.47 115.31 129.37 1mc7 h LEU 71 Ca -0.34 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1mc7 h LEU 71 Cb 1.39 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1mc7 h LEU 71 CO -0.15 0.17 0.00 -0.09 -0.34 0.00 0.00 178.44 178.03 1mc7 h ARG 72 N 0.60 0.00 0.00 1.25 2.43 0.13 -0.32 114.38 118.47 1mc7 h ARG 72 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1mc7 h ARG 72 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1mc7 h ARG 72 CO -0.42 0.00 0.00 1.05 -1.51 0.00 0.00 179.97 179.09 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.19 -3.06 114.58 116.01 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 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1mc7 h GLU 73 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 179.01 178.19 1mc7 n ILE 74 N -2.89 0.00 -0.35 -1.06 2.08 -0.13 -1.40 119.36 115.61 1mc7 n ILE 74 Ca 0.04 0.22 0.32 0.00 0.56 0.00 0.00 62.75 63.89 1mc7 n ILE 74 Cb 0.49 -0.86 0.57 0.00 -0.75 0.00 0.00 39.64 39.09 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 0.13 1.39 0.24 -1.25 0.11 118.33 118.62 1mc7 n VAL 75 Ca 0.00 1.77 -0.15 0.00 -2.04 0.00 0.00 64.34 63.92 1mc7 n VAL 75 Cb 0.00 -2.89 -0.08 0.00 -1.47 0.00 0.00 33.84 29.39 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 -1.37 0.00 -1.34 0.87 -1.63 -3.43 113.55 106.65 1mc7 h SER 76 Ca 0.79 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.50 1mc7 h SER 76 Cb 2.29 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 64.76 1mc7 h SER 76 CO -0.59 -0.53 0.00 0.00 -0.53 0.00 0.00 176.83 175.18 1mc7 n GLN 77 N -5.48 0.00 -0.23 2.24 6.02 0.30 -5.05 117.38 115.17 1mc7 n GLN 77 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 1mc7 n GLN 77 Cb 0.40 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.75 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 -0.84 5.09 -2.24 -1.24 -4.76 114.28 110.29 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 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.07 -3.97 3.79 3.38 0.00 -1.26 -3.97 105.19 102.09 1mc7 n GLY 79 Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.48 4.03 0.35 1.61 0.04 -1.26 -4.38 135.00 132.91 1mc7 s PRO 80 Ca 0.00 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 1mc7 s PRO 80 Cb 0.00 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1mc7 s PRO 80 CO 0.00 -0.25 1.05 0.42 0.04 0.00 0.00 177.00 178.26 1mc7 s ILE 81 N -1.76 3.72 0.00 0.56 1.01 -1.26 -4.46 121.20 119.01 1mc7 s ILE 81 Ca 0.61 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.72 1mc7 s ILE 81 Cb -0.20 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1mc7 s ILE 81 CO 0.25 0.15 0.00 -1.20 0.00 0.00 0.00 174.94 174.14 1mc7 n SER 82 N 0.43 0.00 -2.74 3.58 7.64 -1.26 -4.76 113.62 116.51 1mc7 n SER 82 Ca 0.03 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 1mc7 n SER 82 Cb 0.48 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.93 -3.93 -3.43 -0.00 -1.26 -0.49 117.00 105.96 1mc7 n LEU 83 Ca 0.00 0.50 -0.11 0.00 -0.00 0.00 0.00 56.01 56.40 1mc7 n LEU 83 Cb 0.00 -0.56 -0.13 0.00 -0.00 0.00 0.00 43.42 42.73 1mc7 n LEU 83 CO 0.00 -2.76 -0.36 -0.89 -0.00 0.00 0.00 177.39 173.38 1mc7 s THR 84 N -1.11 0.08 0.06 1.47 2.01 0.73 -4.26 115.64 114.61 1mc7 s THR 84 Ca 0.38 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1mc7 s THR 84 Cb -0.39 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1mc7 s THR 84 CO 0.41 -0.24 -0.08 0.68 -0.69 0.00 0.00 174.62 174.70 1mc7 s VAL 85 N -0.73 0.59 -0.20 3.82 -7.23 -1.26 -2.17 120.40 113.23 1mc7 s VAL 85 Ca -0.08 -1.30 0.14 0.00 -1.81 0.00 0.00 61.98 58.94 1mc7 s VAL 85 Cb -0.05 -0.88 0.44 0.00 0.56 0.00 0.00 36.38 36.44 1mc7 s VAL 85 CO -0.00 -0.50 1.33 0.00 -0.31 0.00 0.00 175.10 175.61 1mc7 n ALA 86 N 1.09 3.23 -1.45 1.32 0.00 -1.00 -1.82 120.51 121.87 1mc7 n ALA 86 Ca -0.20 -2.77 0.19 0.00 0.00 0.00 0.00 53.44 50.66 1mc7 n ALA 86 Cb 0.56 -0.57 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.03 -3.11 -2.75 0.00 0.00 -0.88 -4.91 118.16 105.48 1mc7 n LYS 87 Ca 0.23 2.30 -0.05 0.00 0.00 0.00 0.00 58.31 60.79 1mc7 n LYS 87 Cb 0.83 -3.73 0.02 0.00 0.00 0.00 0.00 35.03 32.15 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 -3.23 -1.87 0.00 3.14 0.00 -1.14 -4.46 120.51 112.95 1mc7 n ALA 88 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1mc7 n ALA 88 Cb 0.68 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1mc7 n ALA 88 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1mc7 n TRP 89 N 2.61 0.00 -3.21 0.00 -0.00 -1.26 -4.76 117.44 110.81 1mc7 n TRP 89 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.62 1mc7 n TRP 89 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 1mc7 n TRP 89 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1mc7 n ASP 90 N 2.25 -6.50 -2.89 5.87 2.03 -1.26 -4.63 116.55 111.41 1mc7 n ASP 90 Ca 0.00 0.37 -0.23 0.00 0.52 0.00 0.00 54.79 55.45 1mc7 n ASP 90 Cb 0.00 -1.66 -0.06 0.00 -0.72 0.00 0.00 41.12 38.68 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 1.15 2.39 -3.64 -0.67 -0.04 -1.26 -4.70 135.00 128.23 1mc7 n PRO 91 Ca -0.01 -1.46 -0.07 0.00 -0.04 0.00 0.00 63.50 61.92 1mc7 n PRO 91 Cb 0.51 -2.38 -0.07 0.00 -0.04 0.00 0.00 33.50 31.52 1mc7 n PRO 91 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mc7 s THR 92 N 2.44 0.00 0.73 0.52 -1.32 -1.26 -5.17 115.64 111.58 1mc7 s THR 92 Ca 0.52 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.89 1mc7 s THR 92 Cb 0.17 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.19 1mc7 s THR 92 CO -0.03 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.29 1mc7 s PRO 93 N 0.54 2.63 0.51 7.08 0.04 -1.26 -5.08 135.00 139.45 1mc7 s PRO 93 Ca -0.00 0.83 0.07 0.00 0.04 0.00 0.00 61.00 61.94 1mc7 s PRO 93 Cb -0.05 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1mc7 s PRO 93 CO -0.09 -1.29 0.43 -0.98 0.04 0.00 0.00 177.00 175.11 1mc7 s ARG 94 N -5.09 2.32 0.00 4.56 1.70 -1.26 -5.24 118.95 115.95 1mc7 s ARG 94 Ca 0.59 -1.86 0.25 0.00 -0.47 0.00 0.00 55.73 54.24 1mc7 s ARG 94 Cb -0.14 -2.21 0.37 0.00 -0.57 0.00 0.00 34.95 32.40 1mc7 s ARG 94 CO 0.55 -0.52 1.36 0.43 -1.08 0.00 0.00 175.30 176.04