#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 0.33 -0.33 1.08 1.01 -1.17 -4.84 120.40 116.48 1mc7 s VAL 2 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1mc7 s VAL 2 Cb 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 36.38 36.17 1mc7 s VAL 2 CO 0.00 0.12 0.07 -0.89 0.00 0.00 0.00 175.10 174.40 1mc7 s THR 3 N 0.17 1.74 -1.12 3.92 2.01 -1.26 -3.87 115.64 117.22 1mc7 s THR 3 Ca -0.02 -2.00 -0.08 0.00 0.31 0.00 0.00 61.69 59.90 1mc7 s THR 3 Cb -0.05 -2.30 0.27 0.00 0.01 0.00 0.00 72.50 70.44 1mc7 s THR 3 CO -0.00 -0.63 1.25 0.00 -0.69 0.00 0.00 174.62 174.54 1mc7 n LEU 4 N 4.46 5.74 -1.02 4.42 -0.00 -1.26 -4.99 117.00 124.35 1mc7 n LEU 4 Ca 0.02 -5.02 0.12 0.00 -0.00 0.00 0.00 56.01 51.13 1mc7 n LEU 4 Cb 0.42 -1.45 -0.04 0.00 -0.00 0.00 0.00 43.42 42.35 1mc7 n LEU 4 CO 0.18 1.37 -0.23 0.59 -0.00 0.00 0.00 177.39 179.31 1mc7 n ASN 5 N 2.66 -5.58 -3.99 1.45 3.02 -1.26 -4.48 115.26 107.09 1mc7 n ASN 5 Ca 0.26 0.50 -0.35 0.00 -0.03 0.00 0.00 54.58 54.97 1mc7 n ASN 5 Cb 0.38 -3.26 -0.07 0.00 -0.61 0.00 0.00 39.78 36.23 1mc7 n ASN 5 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1mc7 n MET 6 N -3.17 2.69 -4.22 3.52 1.56 -1.26 -4.75 117.12 111.49 1mc7 n MET 6 Ca -0.01 -4.51 -0.29 0.00 -0.27 0.00 0.00 57.70 52.61 1mc7 n MET 6 Cb 0.61 -2.39 -0.02 0.00 2.15 0.00 0.00 33.22 33.57 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 1.99 0.68 -2.67 2.12 2.13 -1.26 -5.00 120.64 118.63 1mc7 n GLU 7 Ca 0.23 -3.65 -0.01 0.00 0.66 0.00 0.00 57.16 54.39 1mc7 n GLU 7 Cb 0.37 0.61 0.02 0.00 0.27 0.00 0.00 31.44 32.72 1mc7 n GLU 7 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1mc7 s ARG 8 N -4.17 0.05 0.00 5.31 3.52 -1.26 -4.41 118.95 117.99 1mc7 s ARG 8 Ca 0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1mc7 s ARG 8 Cb -0.02 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 1mc7 s ARG 8 CO 0.13 -0.07 0.00 1.58 -0.81 0.00 0.00 175.30 176.13 1mc7 n HIS 9 N 3.04 0.00 0.00 5.12 -0.00 -1.26 -5.12 115.22 117.00 1mc7 n HIS 9 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1mc7 n HIS 9 Cb 0.65 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.52 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 -0.54 1.57 8.25 -1.26 -5.16 115.22 118.07 1mc7 n HIS 10 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1mc7 n HIS 10 Cb 0.00 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.34 1mc7 n HIS 10 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1mc7 n PHE 11 N -0.34 -0.64 -3.41 4.41 3.72 -1.26 -5.03 117.46 114.91 1mc7 n PHE 11 Ca 0.00 0.02 -0.19 0.00 -0.05 0.00 0.00 57.45 57.24 1mc7 n PHE 11 Cb 0.00 -1.79 -0.10 0.00 -0.94 0.00 0.00 39.48 36.65 1mc7 n PHE 11 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1mc7 s LEU 12 N -6.82 -0.12 -1.28 4.37 1.98 -1.26 -4.84 118.68 110.72 1mc7 s LEU 12 Ca 0.68 -0.91 -0.11 0.00 -2.89 0.00 0.00 54.13 50.90 1mc7 s LEU 12 Cb -0.24 0.39 0.15 0.00 0.66 0.00 0.00 46.19 47.15 1mc7 s LEU 12 CO 0.63 -0.38 1.79 0.61 -1.89 0.00 0.00 176.35 177.10 1mc7 n GLY 13 N 5.20 4.24 3.62 7.98 0.00 -1.26 -4.93 105.19 120.04 1mc7 n GLY 13 Ca -0.01 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 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 1.19 1.56 -0.00 -0.61 -5.25 -1.26 -3.95 121.20 112.87 1mc7 s ILE 14 Ca 0.42 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.79 1mc7 s ILE 14 Cb 0.06 -2.72 0.07 0.00 2.95 0.00 0.00 42.46 42.83 1mc7 s ILE 14 CO -0.00 0.00 0.66 -0.94 -1.79 0.00 0.00 174.94 172.86 1mc7 s SER 15 N -3.70 -0.63 0.51 4.36 1.04 -1.25 -5.04 113.70 108.98 1mc7 s SER 15 Ca 0.27 0.55 0.06 0.00 0.48 0.00 0.00 55.95 57.31 1mc7 s SER 15 Cb 0.07 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1mc7 s SER 15 CO 0.14 -0.69 0.37 0.27 0.98 0.00 0.00 173.24 174.31 1mc7 s ILE 16 N -1.77 1.84 0.15 -1.02 -4.36 -1.26 0.18 121.20 114.96 1mc7 s ILE 16 Ca -0.08 -1.50 -0.25 0.00 -0.26 0.00 0.00 60.65 58.56 1mc7 s ILE 16 Cb -0.00 -2.34 0.07 0.00 1.25 0.00 0.00 42.46 41.43 1mc7 s ILE 16 CO 0.05 0.00 0.98 0.54 0.24 0.00 0.00 174.94 176.75 1mc7 s VAL 17 N -2.72 0.00 0.00 8.37 0.11 -0.52 -4.18 120.40 121.47 1mc7 s VAL 17 Ca 0.36 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1mc7 s VAL 17 Cb -0.02 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 1mc7 s VAL 17 CO 0.22 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 1mc7 n GLY 18 N -0.49 5.23 0.00 6.54 0.00 -1.26 -1.39 105.19 113.82 1mc7 n GLY 18 Ca -0.06 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.32 1.61 7.27 -1.26 -4.98 117.38 118.70 1mc7 n GLN 19 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1mc7 n GLN 19 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1mc7 n GLN 19 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1mc7 n SER 20 N 0.00 -7.13 -3.74 1.69 3.41 -1.26 -5.03 113.62 101.56 1mc7 n SER 20 Ca 0.00 1.51 -0.12 0.00 -0.26 0.00 0.00 58.87 60.00 1mc7 n SER 20 Cb 0.00 -4.08 -0.12 0.00 -0.26 0.00 0.00 64.21 59.75 1mc7 n SER 20 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mc7 s ASN 21 N -4.80 -0.32 -0.11 4.04 2.20 -0.69 -4.95 114.94 110.31 1mc7 s ASN 21 Ca 0.00 0.61 -0.01 0.00 -0.94 0.00 0.00 52.86 52.52 1mc7 s ASN 21 Cb 0.00 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.78 1mc7 s ASN 21 CO 0.00 -0.15 0.01 0.47 -2.94 0.00 0.00 177.10 174.50 1mc7 n ASP 22 N 3.76 -7.05 -2.79 3.54 8.00 -1.26 -4.39 116.55 116.35 1mc7 n ASP 22 Ca -0.20 0.74 -0.02 0.00 0.71 0.00 0.00 54.79 56.01 1mc7 n ASP 22 Cb 0.55 -2.84 -0.02 0.00 -0.02 0.00 0.00 41.12 38.79 1mc7 n ASP 22 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1mc7 n ARG 23 N 1.07 -3.19 0.00 -1.24 0.63 -1.26 -4.69 116.66 107.98 1mc7 n ARG 23 Ca -0.00 2.57 0.00 0.00 -0.92 0.00 0.00 57.85 59.49 1mc7 n ARG 23 Cb 0.34 -3.96 0.00 0.00 0.45 0.00 0.00 32.46 29.29 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mc7 n GLY 24 N 1.49 1.11 2.28 5.14 0.00 -1.26 -4.93 105.19 109.02 1mc7 n GLY 24 Ca -0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.48 -1.39 0.00 1.61 4.64 -1.26 -1.71 116.55 116.97 1mc7 n ASP 25 Ca 0.00 0.96 0.00 0.00 -1.38 0.00 0.00 54.79 54.37 1mc7 n ASP 25 Cb 0.00 -4.04 0.00 0.00 -1.04 0.00 0.00 41.12 36.04 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1mc7 n GLY 26 N 1.13 -0.41 3.68 0.27 0.00 -1.26 -2.64 105.19 105.96 1mc7 n GLY 26 Ca -0.27 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 1.59 0.31 -0.02 0.00 -1.26 -4.69 107.32 103.26 1mc7 s GLY 27 Ca 0.00 1.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.49 1mc7 s GLY 27 CO 0.00 2.91 1.07 1.39 0.00 0.00 0.00 173.10 178.47 1mc7 n ILE 28 N 5.04 2.03 -4.39 0.90 2.08 -1.26 -4.96 119.36 118.80 1mc7 n ILE 28 Ca 0.16 -0.50 -0.19 0.00 0.56 0.00 0.00 62.75 62.78 1mc7 n ILE 28 Cb 0.42 -1.14 -0.14 0.00 -0.75 0.00 0.00 39.64 38.03 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 -1.09 1.04 -0.16 1.39 1.13 -0.49 -3.98 117.35 115.20 1mc7 s TYR 29 Ca 0.58 -0.27 -0.39 0.00 -1.41 0.00 0.00 57.07 55.58 1mc7 s TYR 29 Cb -0.66 -0.65 -0.16 0.00 -1.10 0.00 0.00 41.96 39.40 1mc7 s TYR 29 CO 0.60 -0.00 1.62 1.51 -2.51 0.00 0.00 175.55 176.77 1mc7 n ILE 30 N 2.37 0.22 -0.25 -3.49 0.13 -0.53 -1.43 119.36 116.38 1mc7 n ILE 30 Ca -0.16 -0.04 -0.03 0.00 -1.10 0.00 0.00 62.75 61.42 1mc7 n ILE 30 Cb 0.56 -1.11 0.08 0.00 -0.84 0.00 0.00 39.64 38.32 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 6.41 1.00 -4.81 4.50 0.00 0.17 -3.35 103.07 106.99 1mc7 h GLY 31 Ca -0.47 -0.32 0.25 0.00 0.00 0.00 0.00 47.33 46.80 1mc7 h GLY 31 CO 0.90 0.26 0.96 -1.35 0.00 0.00 0.00 176.54 177.31 1mc7 s SER 32 N -5.72 -0.03 -0.18 0.19 1.04 -1.24 -4.67 113.70 103.08 1mc7 s SER 32 Ca -0.13 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 1mc7 s SER 32 Cb 0.15 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 1mc7 s SER 32 CO 0.77 -0.03 -0.10 -0.63 0.98 0.00 0.00 173.24 174.22 1mc7 s ILE 33 N -1.16 2.99 -0.98 -1.02 1.09 -1.26 -3.90 121.20 116.96 1mc7 s ILE 33 Ca 0.09 -0.64 -0.25 0.00 -1.10 0.00 0.00 60.65 58.75 1mc7 s ILE 33 Cb -0.01 -2.31 -0.14 0.00 -1.06 0.00 0.00 42.46 38.94 1mc7 s ILE 33 CO -0.07 0.48 2.15 -0.04 -0.10 0.00 0.00 174.94 177.35 1mc7 s MET 34 N 1.08 1.78 -0.02 2.79 -1.94 -1.25 -4.86 119.30 116.88 1mc7 s MET 34 Ca 0.00 -0.25 -0.38 0.00 -1.71 0.00 0.00 55.69 53.35 1mc7 s MET 34 Cb -0.15 -4.98 -0.19 0.00 2.01 0.00 0.00 34.83 31.52 1mc7 s MET 34 CO -0.02 -4.54 1.04 1.63 -0.01 0.00 0.00 175.02 173.12 1mc7 n LYS 35 N 8.52 0.00 -1.20 2.03 5.02 -1.26 -2.93 118.16 128.33 1mc7 n LYS 35 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1mc7 n LYS 35 Cb 0.46 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 1.55 0.54 0.00 0.72 0.00 -1.25 -4.87 105.19 101.87 1mc7 n GLY 36 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.68 4.33 0.00 -0.02 0.00 -1.15 -4.76 105.19 102.91 1mc7 n GLY 37 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.09 4.61 0.00 -1.26 -3.32 120.51 117.63 1mc7 n ALA 38 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1mc7 n ALA 38 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 1.24 -0.34 0.00 2.07 -1.97 -2.99 116.25 114.27 1mc7 h VAL 39 Ca 0.00 -2.80 -0.06 0.00 0.82 0.00 0.00 66.70 64.66 1mc7 h VAL 39 Cb 0.00 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1mc7 h VAL 39 CO 0.00 0.71 -0.02 0.00 0.02 0.00 0.00 177.57 178.28 1mc7 h ALA 40 N 1.24 0.46 0.00 1.67 0.00 -1.80 -2.17 119.26 118.66 1mc7 h ALA 40 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1mc7 h ALA 40 Cb 1.61 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1mc7 h ALA 40 CO 0.10 0.23 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 1mc7 h ALA 41 N 0.84 1.07 -0.48 0.00 0.00 -1.60 -2.81 119.26 116.28 1mc7 h ALA 41 Ca 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1mc7 h ALA 41 Cb 0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1mc7 h ALA 41 CO 0.02 0.12 0.09 0.22 0.00 0.00 0.00 179.25 179.70 1mc7 h ASP 42 N 0.00 -0.01 0.00 0.00 1.82 -1.23 -3.47 116.42 113.52 1mc7 h ASP 42 Ca -0.00 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1mc7 h ASP 42 Cb 0.49 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1mc7 h ASP 42 CO 0.01 0.02 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 1mc7 n GLY 43 N -1.28 1.52 2.44 -0.78 0.00 -1.06 -5.00 105.19 101.03 1mc7 n GLY 43 Ca 0.05 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 2.47 -0.99 1.61 0.63 -1.26 -4.74 116.66 114.37 1mc7 n ARG 44 Ca 0.00 -2.80 -0.36 0.00 -0.92 0.00 0.00 57.85 53.77 1mc7 n ARG 44 Cb 0.00 -2.12 0.04 0.00 0.45 0.00 0.00 32.46 30.83 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 -0.17 0.00 -4.39 5.15 2.08 -1.26 -5.00 119.36 115.77 1mc7 n ILE 45 Ca 0.51 -0.45 -0.20 0.00 0.56 0.00 0.00 62.75 63.17 1mc7 n ILE 45 Cb 0.50 -0.03 -0.10 0.00 -0.75 0.00 0.00 39.64 39.26 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 -2.07 1.46 0.15 0.38 2.02 -1.26 -4.91 118.70 114.47 1mc7 s GLU 46 Ca 0.40 -1.73 -0.02 0.00 0.02 0.00 0.00 54.97 53.65 1mc7 s GLU 46 Cb -0.16 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.07 1mc7 s GLU 46 CO 0.81 0.01 1.37 -1.00 0.02 0.00 0.00 175.26 176.47 1mc7 h PRO 47 N 2.36 0.36 -0.88 0.39 0.13 -1.83 -3.05 132.00 129.47 1mc7 h PRO 47 Ca -0.39 -0.35 -0.06 0.00 -0.87 0.00 0.00 66.00 64.33 1mc7 h PRO 47 Cb 1.23 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1mc7 h PRO 47 CO 0.66 1.02 0.08 0.41 -0.23 0.00 0.00 178.00 179.93 1mc7 n GLY 48 N 0.79 2.34 0.25 1.56 0.00 -1.26 -1.45 105.19 107.43 1mc7 n GLY 48 Ca -0.05 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 1.22 0.00 -1.76 1.61 3.58 -1.83 -3.42 116.42 115.83 1mc7 h ASP 49 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1mc7 h ASP 49 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1mc7 h ASP 49 CO 0.26 0.15 0.00 0.80 -2.88 0.00 0.00 179.24 177.57 1mc7 n MET 50 N -3.79 0.00 -2.81 0.28 1.56 -1.26 -4.04 117.12 107.07 1mc7 n MET 50 Ca -0.02 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.97 1mc7 n MET 50 Cb 0.26 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.17 1mc7 n MET 50 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1mc7 n LEU 51 N -0.88 5.39 0.00 -0.89 -0.00 -1.26 -3.66 117.00 115.71 1mc7 n LEU 51 Ca 0.00 -4.41 0.00 0.00 -0.00 0.00 0.00 56.01 51.60 1mc7 n LEU 51 Cb 0.36 -1.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.16 1mc7 n LEU 51 CO 0.00 0.74 0.18 0.00 -0.00 0.00 0.00 177.39 178.31 1mc7 n LEU 52 N 5.75 0.69 -4.04 -1.96 -0.00 -1.25 -4.23 117.00 111.97 1mc7 n LEU 52 Ca 0.39 -0.69 -0.10 0.00 -0.00 0.00 0.00 56.01 55.61 1mc7 n LEU 52 Cb 0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.73 1mc7 n LEU 52 CO 0.67 0.17 -0.38 0.00 -0.00 0.00 0.00 177.39 177.85 1mc7 s GLN 53 N -0.05 0.48 0.04 1.47 -2.07 -1.03 -3.28 119.66 115.22 1mc7 s GLN 53 Ca 0.00 -0.81 -0.01 0.00 -1.82 0.00 0.00 55.36 52.72 1mc7 s GLN 53 Cb 0.00 -0.05 -0.03 0.00 -1.09 0.00 0.00 33.01 31.83 1mc7 s GLN 53 CO 0.00 -0.02 -0.02 0.08 -1.32 0.00 0.00 175.29 174.01 1mc7 s VAL 54 N -1.95 0.19 0.00 3.63 1.01 -1.21 0.36 120.40 122.44 1mc7 s VAL 54 Ca -0.08 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1mc7 s VAL 54 Cb -0.06 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1mc7 s VAL 54 CO -0.02 -0.86 0.00 -3.20 0.00 0.00 0.00 175.10 171.02 1mc7 n ASN 55 N 0.49 0.00 -0.09 3.32 2.85 0.11 0.12 115.26 122.06 1mc7 n ASN 55 Ca -0.17 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.34 1mc7 n ASN 55 Cb 0.59 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.82 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1mc7 n ASP 56 N -2.17 0.27 -4.91 1.20 4.64 -1.26 -4.73 116.55 109.59 1mc7 n ASP 56 Ca 0.00 -1.81 -0.27 0.00 -1.38 0.00 0.00 54.79 51.33 1mc7 n ASP 56 Cb 0.00 -0.03 -0.00 0.00 -1.04 0.00 0.00 41.12 40.05 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mc7 s VAL 57 N -1.94 4.92 -0.40 5.18 1.01 0.33 -5.07 120.40 124.42 1mc7 s VAL 57 Ca 0.13 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1mc7 s VAL 57 Cb 0.06 -3.86 0.17 0.00 0.00 0.00 0.00 36.38 32.75 1mc7 s VAL 57 CO 0.10 -0.83 0.55 0.20 0.00 0.00 0.00 175.10 175.11 1mc7 s ASN 58 N -4.08 -0.68 -0.41 3.32 0.01 -1.26 -3.28 114.94 108.55 1mc7 s ASN 58 Ca 0.47 -1.04 -0.06 0.00 -0.71 0.00 0.00 52.86 51.52 1mc7 s ASN 58 Cb -0.10 1.52 -0.19 0.00 0.41 0.00 0.00 41.25 42.89 1mc7 s ASN 58 CO 0.44 -0.20 3.06 0.49 -1.51 0.00 0.00 177.10 179.39 1mc7 n PHE 59 N 4.36 0.61 0.18 2.20 3.72 -1.21 -4.53 117.46 122.80 1mc7 n PHE 59 Ca 0.11 -1.72 -0.07 0.00 -0.05 0.00 0.00 57.45 55.71 1mc7 n PHE 59 Cb 0.53 -1.68 -0.03 0.00 -0.94 0.00 0.00 39.48 37.36 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 3.99 -0.45 0.00 -1.08 4.39 -1.96 -2.00 114.58 117.47 1mc7 h GLU 60 Ca 0.34 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1mc7 h GLU 60 Cb 1.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1mc7 h GLU 60 CO 0.68 -0.30 0.18 -0.91 -1.16 0.00 0.00 179.01 177.50 1mc7 h ASN 61 N -0.60 0.00 0.00 1.42 4.21 -1.99 -2.95 115.58 115.66 1mc7 h ASN 61 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 1mc7 h ASN 61 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1mc7 h ASN 61 CO 0.08 0.00 0.00 0.80 -1.29 0.00 0.00 177.43 177.02 1mc7 n MET 62 N -2.64 0.00 -3.29 0.81 1.56 -1.05 -4.82 117.12 107.69 1mc7 n MET 62 Ca -0.02 0.17 -0.11 0.00 -0.27 0.00 0.00 57.70 57.47 1mc7 n MET 62 Cb 0.23 -0.90 -0.02 0.00 2.15 0.00 0.00 33.22 34.67 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 -1.01 -0.12 -1.65 6.12 2.88 -0.78 -4.67 113.62 114.40 1mc7 n SER 63 Ca 0.00 -0.42 -0.11 0.00 -1.33 0.00 0.00 58.87 57.01 1mc7 n SER 63 Cb 0.00 -0.51 0.12 0.00 -0.75 0.00 0.00 64.21 63.06 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 -0.55 3.46 -2.34 -3.46 2.85 -1.26 -4.83 115.26 109.13 1mc7 n ASN 64 Ca -0.09 -2.86 -0.01 0.00 -0.11 0.00 0.00 54.58 51.51 1mc7 n ASN 64 Cb 0.21 -0.68 -0.00 0.00 1.24 0.00 0.00 39.78 40.55 1mc7 n ASN 64 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1mc7 n ASP 65 N -0.34 -1.17 -0.92 1.20 9.92 -1.26 -4.43 116.55 119.56 1mc7 n ASP 65 Ca 0.32 0.42 -0.04 0.00 -0.53 0.00 0.00 54.79 54.96 1mc7 n ASP 65 Cb 1.12 -1.16 -0.04 0.00 -0.64 0.00 0.00 41.12 40.40 1mc7 n ASP 65 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1mc7 n ASP 66 N -1.27 -0.67 0.16 -2.24 9.92 -1.26 -4.79 116.55 116.39 1mc7 n ASP 66 Ca -0.01 -1.34 0.11 0.00 -0.53 0.00 0.00 54.79 53.02 1mc7 n ASP 66 Cb 0.46 0.21 0.58 0.00 -0.64 0.00 0.00 41.12 41.73 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mc7 n ALA 67 N -0.07 1.11 -0.32 2.24 0.00 -1.26 -1.32 120.51 120.89 1mc7 n ALA 67 Ca -0.18 0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1mc7 n ALA 67 Cb 0.56 -1.32 0.22 0.00 0.00 0.00 0.00 19.45 18.90 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 1.10 -0.39 0.00 2.07 -1.96 0.22 116.25 117.30 1mc7 h VAL 68 Ca 0.00 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.26 1mc7 h VAL 68 Cb 0.04 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1mc7 h VAL 68 CO 0.00 0.20 0.79 -0.09 0.02 0.00 0.00 177.57 178.49 1mc7 h ARG 69 N 1.09 0.00 0.00 1.57 2.43 -1.63 0.77 114.38 118.60 1mc7 h ARG 69 Ca 0.39 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.34 1mc7 h ARG 69 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1mc7 h ARG 69 CO -0.14 0.00 -1.74 0.28 -1.51 0.00 0.00 179.97 176.87 1mc7 n VAL 70 N -3.07 0.73 -0.31 0.20 0.31 0.02 -4.43 118.33 111.78 1mc7 n VAL 70 Ca 0.08 -0.21 0.12 0.00 -0.01 0.00 0.00 64.34 64.31 1mc7 n VAL 70 Cb 0.93 -1.45 0.29 0.00 -0.91 0.00 0.00 33.84 32.69 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 -0.33 0.51 -2.29 7.52 5.85 0.81 1.55 115.31 128.94 1mc7 h LEU 71 Ca -0.32 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1mc7 h LEU 71 Cb 1.34 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1mc7 h LEU 71 CO -0.16 0.13 0.00 -0.09 -0.34 0.00 0.00 178.44 177.99 1mc7 h ARG 72 N 0.56 0.00 0.00 1.25 9.65 0.24 0.19 114.38 126.26 1mc7 h ARG 72 Ca 0.54 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.42 1mc7 h ARG 72 Cb 0.91 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 1mc7 h ARG 72 CO -0.44 0.00 0.00 1.05 2.80 0.00 0.00 179.97 183.38 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.21 -3.00 114.58 116.09 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 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 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 -3.02 0.00 -0.36 -1.06 2.08 0.05 -1.51 119.36 115.54 1mc7 n ILE 74 Ca 0.04 0.23 0.33 0.00 0.56 0.00 0.00 62.75 63.90 1mc7 n ILE 74 Cb 0.48 -0.85 0.58 0.00 -0.75 0.00 0.00 39.64 39.10 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 -0.31 0.16 1.39 0.24 -1.25 0.94 118.33 119.49 1mc7 n VAL 75 Ca 0.00 1.77 -0.17 0.00 -2.04 0.00 0.00 64.34 63.90 1mc7 n VAL 75 Cb 0.00 -2.88 -0.10 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 -1.55 0.00 -1.34 0.87 -1.62 -3.46 113.55 106.45 1mc7 h SER 76 Ca 0.79 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.51 1mc7 h SER 76 Cb 2.32 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 64.84 1mc7 h SER 76 CO -0.58 -0.59 0.00 0.00 -0.53 0.00 0.00 176.83 175.14 1mc7 n GLN 77 N -5.51 0.00 -0.15 2.24 6.02 0.27 -5.08 117.38 115.17 1mc7 n GLN 77 Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.83 1mc7 n GLN 77 Cb 0.43 0.00 0.06 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 -1.10 5.09 -2.24 -1.25 -4.77 114.28 110.02 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 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.82 -4.16 3.79 3.38 0.00 -1.26 -3.98 105.19 102.14 1mc7 n GLY 79 Ca 0.03 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.10 3.93 0.39 1.61 0.04 -1.26 -4.34 135.00 133.28 1mc7 s PRO 80 Ca 0.00 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1mc7 s PRO 80 Cb 0.00 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1mc7 s PRO 80 CO 0.00 -0.33 1.01 0.42 0.04 0.00 0.00 177.00 178.14 1mc7 s ILE 81 N -1.86 3.95 0.00 0.56 1.01 -1.26 -4.46 121.20 119.14 1mc7 s ILE 81 Ca 0.64 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1mc7 s ILE 81 Cb -0.18 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1mc7 s ILE 81 CO 0.23 -0.03 0.00 -1.20 0.00 0.00 0.00 174.94 173.94 1mc7 n SER 82 N -0.06 0.00 -2.41 3.58 7.64 -1.26 -4.74 113.62 116.37 1mc7 n SER 82 Ca 0.05 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.68 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 0.18 -3.01 0.00 0.00 175.04 172.21 1mc7 n LEU 83 N 0.00 -1.24 -4.17 -3.43 4.32 -1.25 0.08 117.00 111.31 1mc7 n LEU 83 Ca 0.00 0.52 -0.19 0.00 -0.02 0.00 0.00 56.01 56.32 1mc7 n LEU 83 Cb 0.00 -0.51 -0.12 0.00 -1.62 0.00 0.00 43.42 41.17 1mc7 n LEU 83 CO 0.00 -2.07 -0.46 -0.89 -1.22 0.00 0.00 177.39 172.75 1mc7 s THR 84 N -0.78 1.14 0.04 -5.08 2.01 1.13 -3.05 115.64 111.05 1mc7 s THR 84 Ca 0.34 -1.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 1mc7 s THR 84 Cb -0.42 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1mc7 s THR 84 CO 0.33 -0.15 0.12 0.68 -0.69 0.00 0.00 174.62 174.91 1mc7 s VAL 85 N -1.15 0.13 -0.40 3.82 -7.23 -1.25 -2.46 120.40 111.85 1mc7 s VAL 85 Ca -0.01 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1mc7 s VAL 85 Cb -0.09 -0.92 0.32 0.00 0.56 0.00 0.00 36.38 36.25 1mc7 s VAL 85 CO 0.02 -0.58 1.94 0.00 -0.31 0.00 0.00 175.10 176.17 1mc7 n ALA 86 N 0.71 5.32 -1.12 1.32 0.00 -1.24 -1.67 120.51 123.83 1mc7 n ALA 86 Ca -0.19 -2.18 0.13 0.00 0.00 0.00 0.00 53.44 51.20 1mc7 n ALA 86 Cb 0.59 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.17 -2.13 -2.79 0.00 3.00 -1.26 -4.97 118.16 109.84 1mc7 n LYS 87 Ca 0.40 1.55 0.03 0.00 -0.00 0.00 0.00 58.31 60.29 1mc7 n LYS 87 Cb 0.74 -2.68 0.01 0.00 0.00 0.00 0.00 35.03 33.10 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mc7 s ALA 88 N -2.86 -4.63 -0.56 3.14 0.00 -1.26 -4.70 121.76 110.88 1mc7 s ALA 88 Ca 0.00 1.41 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1mc7 s ALA 88 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1mc7 s ALA 88 CO 0.00 -2.47 0.51 0.91 0.00 0.00 0.00 175.76 174.71 1mc7 n TRP 89 N 3.84 -1.71 -1.50 0.00 8.01 -1.26 -4.77 117.44 120.04 1mc7 n TRP 89 Ca 0.06 0.63 -0.64 0.00 -1.31 0.00 0.00 57.50 56.24 1mc7 n TRP 89 Cb 0.63 -3.34 -0.11 0.00 -2.01 0.00 0.00 31.31 26.48 1mc7 n TRP 89 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1mc7 n ASP 90 N -2.05 1.02 -3.07 -0.99 8.00 -1.26 -4.70 116.55 113.50 1mc7 n ASP 90 Ca -0.02 0.93 -0.26 0.00 0.71 0.00 0.00 54.79 56.15 1mc7 n ASP 90 Cb 0.54 -0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 40.70 1mc7 n ASP 90 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1mc7 n PRO 91 N 5.76 2.59 -1.50 -0.24 -0.04 -1.26 -4.92 135.00 135.39 1mc7 n PRO 91 Ca 0.43 -1.62 -0.59 0.00 -0.04 0.00 0.00 63.50 61.68 1mc7 n PRO 91 Cb -0.04 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.74 0.00 -0.02 0.52 -1.04 -1.26 -4.85 114.28 111.37 1mc7 n THR 92 Ca 0.55 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.40 1mc7 n THR 92 Cb 0.25 -0.19 -0.11 0.00 -1.82 0.00 0.00 70.33 68.46 1mc7 n THR 92 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1mc7 h PRO 93 N 3.57 0.30 -3.19 -2.82 0.13 -2.03 -3.45 132.00 124.50 1mc7 h PRO 93 Ca -0.45 -0.29 -0.20 0.00 -0.87 0.00 0.00 66.00 64.19 1mc7 h PRO 93 Cb 1.32 0.08 -0.28 0.00 0.13 0.00 0.00 31.00 32.24 1mc7 h PRO 93 CO 0.73 0.97 -0.51 -0.98 -0.23 0.00 0.00 178.00 177.98 1mc7 s ARG 94 N -3.32 0.19 0.00 0.86 1.04 -1.26 -5.34 118.95 111.12 1mc7 s ARG 94 Ca -0.14 0.37 0.00 0.00 -1.04 0.00 0.00 55.73 54.92 1mc7 s ARG 94 Cb 0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 34.95 32.91 1mc7 s ARG 94 CO 0.78 -0.10 0.08 0.43 -0.04 0.00 0.00 175.30 176.45