#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 2.55 -3.84 1.08 0.31 -1.26 -4.83 118.33 112.33 1mc7 n VAL 2 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1mc7 n VAL 2 Cb 0.00 -1.39 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 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 -1.23 3.02 1.31 2.52 2.01 -1.26 -4.16 115.64 117.85 1mc7 s THR 3 Ca 0.62 -2.25 -0.20 0.00 0.31 0.00 0.00 61.69 60.17 1mc7 s THR 3 Cb -0.53 -3.10 0.31 0.00 0.01 0.00 0.00 72.50 69.20 1mc7 s THR 3 CO 0.57 -0.68 0.71 0.18 -0.69 0.00 0.00 174.62 174.71 1mc7 n LEU 4 N 4.36 -0.67 -4.49 4.42 4.77 -1.26 -4.91 117.00 119.23 1mc7 n LEU 4 Ca 0.00 -0.70 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 1mc7 n LEU 4 Cb 0.41 -0.93 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1mc7 n LEU 4 CO 0.30 -4.14 0.29 0.20 -1.33 0.00 0.00 177.39 172.71 1mc7 s ASN 5 N -2.70 6.26 -0.40 -1.43 0.01 -1.26 -4.93 114.94 110.50 1mc7 s ASN 5 Ca 0.57 -0.59 -0.38 0.00 -0.71 0.00 0.00 52.86 51.75 1mc7 s ASN 5 Cb -0.11 -2.29 -0.16 0.00 0.41 0.00 0.00 41.25 39.11 1mc7 s ASN 5 CO 0.48 -0.76 1.29 0.23 -1.51 0.00 0.00 177.10 176.83 1mc7 n MET 6 N 6.06 0.00 0.00 -0.60 2.81 -1.26 -4.82 117.12 119.31 1mc7 n MET 6 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1mc7 n MET 6 Cb 0.47 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1mc7 n MET 6 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1mc7 n GLU 7 N 3.20 0.00 -1.73 0.03 1.02 -1.26 -5.10 120.64 116.80 1mc7 n GLU 7 Ca 0.25 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 1mc7 n GLU 7 Cb -0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.34 1mc7 n GLU 7 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1mc7 s ARG 8 N 0.00 2.26 0.00 3.49 0.52 -1.26 -4.70 118.95 119.26 1mc7 s ARG 8 Ca 0.00 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 1mc7 s ARG 8 Cb 0.00 -4.54 0.00 0.00 0.52 0.00 0.00 34.95 30.93 1mc7 s ARG 8 CO 0.00 -3.16 0.00 0.72 0.02 0.00 0.00 175.30 172.88 1mc7 n HIS 9 N 14.96 0.00 0.00 -0.53 8.25 -1.26 -5.11 115.22 131.52 1mc7 n HIS 9 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1mc7 n HIS 9 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1mc7 n HIS 9 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1mc7 n HIS 10 N -0.87 0.00 -1.23 4.41 8.25 -1.26 -4.96 115.22 119.56 1mc7 n HIS 10 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1mc7 n HIS 10 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 0.00 0.04 0.07 4.41 3.01 -1.26 -4.73 117.46 119.00 1mc7 n PHE 11 Ca 0.00 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.32 1mc7 n PHE 11 Cb 0.00 -1.72 0.00 0.00 -0.01 0.00 0.00 39.48 37.75 1mc7 n PHE 11 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1mc7 n LEU 12 N 1.50 -1.24 -2.66 4.37 -0.00 -1.26 -4.87 117.00 112.84 1mc7 n LEU 12 Ca 0.16 0.32 -0.10 0.00 -0.00 0.00 0.00 56.01 56.39 1mc7 n LEU 12 Cb 0.14 1.42 0.05 0.00 -0.00 0.00 0.00 43.42 45.03 1mc7 n LEU 12 CO 0.50 -0.13 0.02 0.61 -0.00 0.00 0.00 177.39 178.39 1mc7 n GLY 13 N -1.45 -0.47 3.54 -3.96 0.00 -1.26 -4.52 105.19 97.07 1mc7 n GLY 13 Ca 0.00 0.30 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.26 1.05 0.00 -0.61 -4.36 -1.26 -3.29 121.20 109.47 1mc7 s ILE 14 Ca 0.30 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.41 1mc7 s ILE 14 Cb -0.04 -2.55 0.09 0.00 1.25 0.00 0.00 42.46 41.21 1mc7 s ILE 14 CO 0.49 0.00 0.78 -0.94 0.24 0.00 0.00 174.94 175.51 1mc7 s SER 15 N -3.62 -0.49 0.44 4.36 1.04 -1.25 -5.02 113.70 109.16 1mc7 s SER 15 Ca 0.27 0.24 0.07 0.00 0.48 0.00 0.00 55.95 57.00 1mc7 s SER 15 Cb 0.05 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1mc7 s SER 15 CO 0.13 -0.67 0.18 0.27 0.98 0.00 0.00 173.24 174.14 1mc7 s ILE 16 N -2.48 2.11 0.27 -1.02 -5.25 -1.26 0.21 121.20 113.79 1mc7 s ILE 16 Ca -0.01 -1.71 -0.20 0.00 -0.99 0.00 0.00 60.65 57.74 1mc7 s ILE 16 Cb -0.01 -2.82 0.02 0.00 2.95 0.00 0.00 42.46 42.60 1mc7 s ILE 16 CO -0.04 0.00 0.68 0.54 -1.79 0.00 0.00 174.94 174.33 1mc7 s VAL 17 N -2.65 0.00 0.00 8.37 0.11 0.60 -4.21 120.40 122.62 1mc7 s VAL 17 Ca 0.37 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1mc7 s VAL 17 Cb 0.03 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 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 -0.45 5.39 1.97 6.54 0.00 -1.26 -1.21 105.19 116.17 1mc7 n GLY 18 Ca -0.04 -1.27 -0.02 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 -2.94 -2.41 1.61 7.27 -1.26 -4.94 117.38 114.70 1mc7 n GLN 19 Ca 0.00 2.37 -0.16 0.00 0.07 0.00 0.00 57.00 59.27 1mc7 n GLN 19 Cb 0.00 -3.21 0.07 0.00 2.41 0.00 0.00 30.24 29.50 1mc7 n GLN 19 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1mc7 n SER 20 N 1.05 1.45 -0.08 1.69 2.88 -1.26 -5.02 113.62 114.34 1mc7 n SER 20 Ca -0.12 -2.10 -0.13 0.00 -1.33 0.00 0.00 58.87 55.19 1mc7 n SER 20 Cb 0.19 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 63.19 1mc7 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1mc7 n ASN 21 N -2.63 2.30 -4.05 -3.46 5.15 -1.26 -5.02 115.26 106.28 1mc7 n ASN 21 Ca 0.13 0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 1mc7 n ASN 21 Cb 0.47 -0.31 0.20 0.00 -0.53 0.00 0.00 39.78 39.61 1mc7 n ASN 21 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1mc7 s ASP 22 N -5.78 2.33 0.02 1.20 1.11 -1.26 -4.92 116.67 109.37 1mc7 s ASP 22 Ca -0.21 0.44 -0.32 0.00 0.18 0.00 0.00 52.55 52.64 1mc7 s ASP 22 Cb 0.06 -0.59 -0.10 0.00 1.07 0.00 0.00 42.92 43.36 1mc7 s ASP 22 CO 0.33 -3.23 1.91 0.54 1.18 0.00 0.00 175.17 175.90 1mc7 n ARG 23 N -4.13 2.63 0.00 8.23 5.12 -1.26 -4.76 116.66 122.49 1mc7 n ARG 23 Ca 0.14 0.96 0.00 0.00 -1.93 0.00 0.00 57.85 57.02 1mc7 n ARG 23 Cb 0.59 -2.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.03 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mc7 n GLY 24 N 4.41 0.64 3.09 -0.13 0.00 -1.26 -4.87 105.19 107.07 1mc7 n GLY 24 Ca 0.20 -0.56 -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 1.34 0.00 0.00 0.00 173.32 174.66 1mc7 n ASP 25 N -3.37 -6.75 -3.24 1.61 -0.08 -1.26 -4.82 116.55 98.64 1mc7 n ASP 25 Ca 0.00 0.65 -0.25 0.00 -1.51 0.00 0.00 54.79 53.68 1mc7 n ASP 25 Cb 0.00 -2.22 -0.06 0.00 2.34 0.00 0.00 41.12 41.18 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 1.38 4.35 3.34 0.27 0.00 -1.26 -4.79 105.19 108.47 1mc7 n GLY 26 Ca -0.01 -2.35 -0.55 0.00 0.00 0.00 0.00 46.02 43.11 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 0.71 -0.02 3.56 -0.02 0.00 -1.26 -4.52 105.19 103.64 1mc7 n GLY 27 Ca 0.27 1.07 -0.44 0.00 0.00 0.00 0.00 46.02 46.92 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 6.84 2.02 -4.09 -0.61 2.08 -1.26 -4.95 119.36 119.40 1mc7 n ILE 28 Ca 0.52 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 63.22 1mc7 n ILE 28 Cb 0.05 -0.88 -0.11 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 -1.11 0.69 -0.17 1.39 1.13 -0.35 -4.12 117.35 114.81 1mc7 s TYR 29 Ca 0.60 -0.68 -0.36 0.00 -1.41 0.00 0.00 57.07 55.21 1mc7 s TYR 29 Cb -0.70 -0.42 -0.13 0.00 -1.10 0.00 0.00 41.96 39.61 1mc7 s TYR 29 CO 0.59 -0.14 1.84 1.51 -2.51 0.00 0.00 175.55 176.85 1mc7 n ILE 30 N 0.88 0.48 -0.18 -3.49 0.13 -0.80 -0.29 119.36 116.10 1mc7 n ILE 30 Ca -0.19 -0.09 -0.02 0.00 -1.10 0.00 0.00 62.75 61.35 1mc7 n ILE 30 Cb 0.57 -1.64 0.08 0.00 -0.84 0.00 0.00 39.64 37.80 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 8.58 0.74 0.00 4.50 0.00 0.24 -3.36 103.07 113.78 1mc7 h GLY 31 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1mc7 h GLY 31 CO 0.96 0.03 0.00 -1.14 0.00 0.00 0.00 176.54 176.39 1mc7 n SER 32 N -4.97 0.00 -4.24 0.19 3.41 -1.25 -4.66 113.62 102.10 1mc7 n SER 32 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 1mc7 n SER 32 Cb 0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.81 0.61 -1.33 1.09 -1.26 -3.77 121.20 116.35 1mc7 s ILE 33 Ca 0.00 -0.96 0.27 0.00 -1.10 0.00 0.00 60.65 58.86 1mc7 s ILE 33 Cb 0.00 -1.52 0.37 0.00 -1.06 0.00 0.00 42.46 40.25 1mc7 s ILE 33 CO 0.00 0.51 1.58 0.24 -0.10 0.00 0.00 174.94 177.18 1mc7 h MET 34 N 5.77 0.00 0.00 2.79 2.86 -1.85 -3.44 114.93 121.06 1mc7 h MET 34 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 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 0.47 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.61 1mc7 n LYS 35 N -3.39 0.00 -3.75 1.72 4.81 -1.26 -4.88 118.16 111.41 1mc7 n LYS 35 Ca 0.15 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.29 1mc7 n LYS 35 Cb 1.08 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.97 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mc7 s GLY 36 N -0.76 0.96 0.00 3.14 0.00 -1.26 -3.80 107.32 105.60 1mc7 s GLY 36 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1mc7 s GLY 36 CO 0.00 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.22 1mc7 n GLY 37 N 4.91 -0.08 0.00 0.20 0.00 -1.26 -4.84 105.19 104.12 1mc7 n GLY 37 Ca -0.05 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.50 4.61 0.00 -1.26 -3.36 120.51 118.00 1mc7 n ALA 38 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1mc7 n ALA 38 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.52 0.73 -0.02 0.00 0.31 -1.26 -2.90 118.33 114.67 1mc7 n VAL 39 Ca 0.00 0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 1mc7 n VAL 39 Cb 0.00 -0.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 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 2.39 0.01 0.00 3.52 0.00 -1.81 -2.85 119.26 120.52 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 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1mc7 h ALA 40 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1mc7 h ALA 41 N 0.46 1.00 -0.27 0.00 0.00 -1.53 -2.44 119.26 116.47 1mc7 h ALA 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mc7 h ALA 41 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1mc7 h ALA 41 CO 0.00 0.00 0.14 0.22 0.00 0.00 0.00 179.25 179.61 1mc7 h ASP 42 N 0.00 0.35 0.00 0.00 3.58 -1.37 -3.49 116.42 115.50 1mc7 h ASP 42 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1mc7 h ASP 42 Cb 0.30 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1mc7 h ASP 42 CO 0.00 0.36 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 1mc7 n GLY 43 N -0.88 2.16 2.72 -0.78 0.00 -0.92 -5.05 105.19 102.43 1mc7 n GLY 43 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 2.82 -0.93 1.61 5.12 -1.26 -4.72 116.66 119.29 1mc7 n ARG 44 Ca 0.00 -4.48 -0.36 0.00 -1.93 0.00 0.00 57.85 51.08 1mc7 n ARG 44 Cb 0.00 -2.11 0.06 0.00 -1.16 0.00 0.00 32.46 29.26 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1mc7 n ILE 45 N -0.20 0.00 -4.48 0.55 2.08 -1.26 -5.00 119.36 111.05 1mc7 n ILE 45 Ca 0.31 -0.26 -0.24 0.00 0.56 0.00 0.00 62.75 63.11 1mc7 n ILE 45 Cb 0.51 -0.15 -0.10 0.00 -0.75 0.00 0.00 39.64 39.14 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 -2.39 1.69 0.15 0.38 2.02 -1.26 -4.88 118.70 114.41 1mc7 s GLU 46 Ca 0.43 -1.81 -0.03 0.00 0.02 0.00 0.00 54.97 53.58 1mc7 s GLU 46 Cb -0.08 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 1mc7 s GLU 46 CO 0.73 0.23 1.36 -1.00 0.02 0.00 0.00 175.26 176.60 1mc7 h PRO 47 N 2.21 0.39 -0.47 0.39 0.13 -1.83 -2.98 132.00 129.84 1mc7 h PRO 47 Ca -0.41 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1mc7 h PRO 47 Cb 1.25 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1mc7 h PRO 47 CO 0.64 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.86 1mc7 n GLY 48 N 0.79 0.45 0.40 1.56 0.00 -1.26 -1.90 105.19 105.23 1mc7 n GLY 48 Ca -0.05 -0.12 0.21 0.00 0.00 0.00 0.00 46.02 46.06 1mc7 n GLY 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mc7 h ASP 49 N 0.56 0.09 -1.65 1.61 5.19 -1.82 -3.40 116.42 117.00 1mc7 h ASP 49 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1mc7 h ASP 49 Cb 0.38 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1mc7 h ASP 49 CO 0.03 0.04 0.00 0.80 -3.12 0.00 0.00 179.24 176.99 1mc7 n MET 50 N -4.38 0.00 -2.80 3.56 1.56 -1.26 -3.68 117.12 110.12 1mc7 n MET 50 Ca 0.13 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.12 1mc7 n MET 50 Cb 0.67 -2.14 -0.01 0.00 2.15 0.00 0.00 33.22 33.89 1mc7 n MET 50 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 1mc7 s LEU 51 N -1.65 4.56 0.00 -0.89 1.98 -1.26 -3.22 118.68 118.20 1mc7 s LEU 51 Ca 0.00 -2.48 0.00 0.00 -2.89 0.00 0.00 54.13 48.76 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 -1.01 0.52 0.00 -1.89 0.00 0.00 176.35 173.98 1mc7 n LEU 52 N 6.91 0.86 -3.99 -0.68 -0.00 -1.23 -4.22 117.00 114.65 1mc7 n LEU 52 Ca 0.37 -0.86 -0.15 0.00 -0.00 0.00 0.00 56.01 55.37 1mc7 n LEU 52 Cb 0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.74 1mc7 n LEU 52 CO 0.64 0.21 -0.41 0.00 -0.00 0.00 0.00 177.39 177.84 1mc7 s GLN 53 N -0.27 0.48 0.03 1.47 -2.07 -0.93 -3.22 119.66 115.15 1mc7 s GLN 53 Ca 0.00 -0.35 0.01 0.00 -1.82 0.00 0.00 55.36 53.20 1mc7 s GLN 53 Cb 0.00 -0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 31.49 1mc7 s GLN 53 CO 0.00 0.10 -0.05 0.08 -1.32 0.00 0.00 175.29 174.11 1mc7 s VAL 54 N -0.45 0.29 0.00 3.63 1.01 -1.14 0.25 120.40 123.99 1mc7 s VAL 54 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1mc7 s VAL 54 Cb -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1mc7 s VAL 54 CO -0.00 -0.39 0.00 -0.46 0.00 0.00 0.00 175.10 174.25 1mc7 n ASN 55 N 1.71 0.00 -0.15 3.32 0.23 -0.26 0.12 115.26 120.23 1mc7 n ASN 55 Ca -0.22 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 53.89 1mc7 n ASN 55 Cb 0.55 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.55 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1mc7 n ASP 56 N -1.50 0.43 -4.86 0.53 2.03 -1.26 -4.82 116.55 107.10 1mc7 n ASP 56 Ca 0.00 -1.72 -0.32 0.00 0.52 0.00 0.00 54.79 53.27 1mc7 n ASP 56 Cb 0.00 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1mc7 s VAL 57 N -1.92 4.74 -0.37 5.18 1.01 0.31 -5.05 120.40 124.30 1mc7 s VAL 57 Ca 0.19 0.83 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1mc7 s VAL 57 Cb 0.09 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 33.01 1mc7 s VAL 57 CO 0.14 -0.19 0.35 0.20 0.00 0.00 0.00 175.10 175.61 1mc7 s ASN 58 N -2.35 1.43 -0.15 3.32 0.01 -1.26 -2.87 114.94 113.06 1mc7 s ASN 58 Ca 0.53 -1.69 -0.06 0.00 -0.71 0.00 0.00 52.86 50.92 1mc7 s ASN 58 Cb -0.10 0.42 -0.24 0.00 0.41 0.00 0.00 41.25 41.73 1mc7 s ASN 58 CO 0.19 -0.26 3.43 0.49 -1.51 0.00 0.00 177.10 179.43 1mc7 n PHE 59 N 4.19 0.22 -0.04 2.20 3.72 -1.20 -4.38 117.46 122.17 1mc7 n PHE 59 Ca 0.12 -1.58 -0.15 0.00 -0.05 0.00 0.00 57.45 55.79 1mc7 n PHE 59 Cb 0.44 -1.63 -0.08 0.00 -0.94 0.00 0.00 39.48 37.27 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 3.33 0.43 0.00 -1.08 5.08 -1.96 -2.74 114.58 117.64 1mc7 h GLU 60 Ca 0.24 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1mc7 h GLU 60 Cb 1.34 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1mc7 h GLU 60 CO 0.39 0.92 0.00 0.09 -1.00 0.00 0.00 179.01 179.41 1mc7 n ASN 61 N -4.39 0.00 0.00 1.42 4.13 -1.26 -3.95 115.26 111.21 1mc7 n ASN 61 Ca -0.07 -0.75 0.00 0.00 1.68 0.00 0.00 54.58 55.44 1mc7 n ASN 61 Cb 0.49 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 1mc7 n ASN 61 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1mc7 n MET 62 N -1.05 0.00 -3.11 3.52 1.56 -1.05 -4.88 117.12 112.11 1mc7 n MET 62 Ca 0.20 0.22 -0.14 0.00 -0.27 0.00 0.00 57.70 57.70 1mc7 n MET 62 Cb 0.12 -0.66 -0.04 0.00 2.15 0.00 0.00 33.22 34.79 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 -1.64 0.05 -1.59 6.12 2.88 -1.08 -4.66 113.62 113.70 1mc7 n SER 63 Ca 0.00 -0.53 -0.08 0.00 -1.33 0.00 0.00 58.87 56.93 1mc7 n SER 63 Cb 0.00 -0.66 0.15 0.00 -0.75 0.00 0.00 64.21 62.94 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 -0.88 3.54 -2.59 -3.46 5.15 -1.26 -4.84 115.26 110.93 1mc7 n ASN 64 Ca -0.08 -2.81 -0.02 0.00 -0.60 0.00 0.00 54.58 51.07 1mc7 n ASN 64 Cb 0.26 -0.67 -0.00 0.00 -0.53 0.00 0.00 39.78 38.84 1mc7 n ASN 64 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1mc7 n ASP 65 N -0.19 -1.03 -0.92 1.20 2.03 -1.26 -4.46 116.55 111.91 1mc7 n ASP 65 Ca 0.29 0.41 -0.06 0.00 0.52 0.00 0.00 54.79 55.96 1mc7 n ASP 65 Cb 1.06 -1.02 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 1mc7 n ASP 65 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mc7 n ASP 66 N -1.54 -0.81 0.17 1.67 9.92 -1.26 -4.82 116.55 119.88 1mc7 n ASP 66 Ca 0.01 -1.61 0.12 0.00 -0.53 0.00 0.00 54.79 52.77 1mc7 n ASP 66 Cb 0.49 0.25 0.62 0.00 -0.64 0.00 0.00 41.12 41.84 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mc7 h ALA 67 N 0.01 1.00 -0.73 2.24 0.00 -1.96 -1.03 119.26 118.80 1mc7 h ALA 67 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1mc7 h ALA 67 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1mc7 h ALA 67 CO -0.23 0.00 0.48 0.28 0.00 0.00 0.00 179.25 179.78 1mc7 h VAL 68 N 0.00 1.17 -1.16 0.00 2.07 -1.96 0.37 116.25 116.74 1mc7 h VAL 68 Ca 0.00 -0.33 0.34 0.00 0.82 0.00 0.00 66.70 67.52 1mc7 h VAL 68 Cb 0.01 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1mc7 h VAL 68 CO 0.00 0.18 1.15 -0.09 0.02 0.00 0.00 177.57 178.82 1mc7 h ARG 69 N 0.97 0.00 0.00 1.57 2.43 -1.61 0.93 114.38 118.67 1mc7 h ARG 69 Ca 0.27 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.17 1mc7 h ARG 69 Cb -0.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1mc7 h ARG 69 CO -0.07 0.00 -1.95 0.28 -1.51 0.00 0.00 179.97 176.72 1mc7 n VAL 70 N -3.49 0.94 -0.32 0.20 0.31 -0.42 -4.41 118.33 111.14 1mc7 n VAL 70 Ca 0.26 -0.30 0.12 0.00 -0.01 0.00 0.00 64.34 64.40 1mc7 n VAL 70 Cb 1.50 -1.40 0.29 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.57 -1.81 7.52 7.12 0.24 1.59 115.31 130.23 1mc7 h LEU 71 Ca -0.40 0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.72 1mc7 h LEU 71 Cb 1.48 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1mc7 h LEU 71 CO -0.16 0.16 0.00 -0.09 -0.13 0.00 0.00 178.44 178.22 1mc7 h ARG 72 N 0.60 0.00 0.00 1.25 2.43 0.51 0.28 114.38 119.45 1mc7 h ARG 72 Ca 0.54 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1mc7 h ARG 72 Cb 0.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1mc7 h ARG 72 CO -0.43 0.00 -0.04 1.05 -1.51 0.00 0.00 179.97 179.04 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.21 -3.09 114.58 116.02 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1mc7 h GLU 73 CO 0.00 0.01 0.00 -0.89 0.07 0.00 0.00 179.01 178.20 1mc7 n ILE 74 N -3.09 0.00 -0.33 -1.06 2.08 0.09 -1.50 119.36 115.55 1mc7 n ILE 74 Ca 0.04 0.23 0.31 0.00 0.56 0.00 0.00 62.75 63.89 1mc7 n ILE 74 Cb 0.53 -0.89 0.55 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 -0.33 0.10 1.39 0.24 -1.25 0.10 118.33 118.59 1mc7 n VAL 75 Ca 0.00 1.76 -0.16 0.00 -2.04 0.00 0.00 64.34 63.90 1mc7 n VAL 75 Cb 0.00 -2.86 -0.09 0.00 -1.47 0.00 0.00 33.84 29.42 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 -1.53 0.00 -1.34 0.87 -1.62 -3.45 113.55 106.48 1mc7 h SER 76 Ca 0.77 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.50 1mc7 h SER 76 Cb 2.19 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 64.72 1mc7 h SER 76 CO -0.60 -0.54 0.00 0.00 -0.53 0.00 0.00 176.83 175.16 1mc7 n GLN 77 N -5.48 0.00 -0.22 2.24 6.02 0.29 -5.08 117.38 115.15 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 0.41 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 -0.97 5.09 -2.24 -1.25 -4.76 114.28 110.15 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 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -3.60 3.78 3.38 0.00 -1.26 -3.95 105.19 102.47 1mc7 n GLY 79 Ca 0.04 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.22 4.17 0.39 1.61 0.04 -1.26 -4.39 135.00 133.33 1mc7 s PRO 80 Ca 0.00 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.33 1mc7 s PRO 80 Cb 0.00 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 1mc7 s PRO 80 CO 0.00 -0.14 1.04 0.42 0.04 0.00 0.00 177.00 178.36 1mc7 s ILE 81 N -1.64 3.76 0.00 0.56 1.01 -1.26 -4.28 121.20 119.35 1mc7 s ILE 81 Ca 0.57 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1mc7 s ILE 81 Cb -0.23 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1mc7 s ILE 81 CO 0.28 0.03 0.00 -1.20 0.00 0.00 0.00 174.94 174.05 1mc7 n SER 82 N 0.04 0.00 -3.40 3.58 7.64 -1.26 -4.73 113.62 115.49 1mc7 n SER 82 Ca 0.04 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.58 1mc7 n SER 82 Cb 0.49 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 0.00 -3.01 0.00 0.00 175.04 172.03 1mc7 n LEU 83 N 0.00 -1.95 -3.85 -3.43 -0.00 -1.26 -1.11 117.00 105.40 1mc7 n LEU 83 Ca 0.00 0.70 -0.12 0.00 -0.00 0.00 0.00 56.01 56.59 1mc7 n LEU 83 Cb 0.00 -0.71 -0.14 0.00 -0.00 0.00 0.00 43.42 42.58 1mc7 n LEU 83 CO 0.00 -3.07 -0.31 -0.89 -0.00 0.00 0.00 177.39 173.12 1mc7 s THR 84 N -1.19 -0.00 0.06 1.47 2.01 0.69 -4.04 115.64 114.64 1mc7 s THR 84 Ca 0.47 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1mc7 s THR 84 Cb -0.56 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1mc7 s THR 84 CO 0.48 0.00 -0.05 0.68 -0.69 0.00 0.00 174.62 175.04 1mc7 s VAL 85 N 0.03 0.38 -0.40 3.82 -7.23 -1.26 -2.19 120.40 113.56 1mc7 s VAL 85 Ca -0.00 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1mc7 s VAL 85 Cb -0.00 -1.21 0.33 0.00 0.56 0.00 0.00 36.38 36.06 1mc7 s VAL 85 CO 0.00 -0.78 1.92 0.00 -0.31 0.00 0.00 175.10 175.92 1mc7 n ALA 86 N 0.53 5.29 -0.85 1.32 0.00 -1.20 -1.66 120.51 123.94 1mc7 n ALA 86 Ca -0.17 -2.19 0.10 0.00 0.00 0.00 0.00 53.44 51.18 1mc7 n ALA 86 Cb 0.59 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1mc7 n ALA 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mc7 n LYS 87 N -0.22 -1.57 0.00 0.00 4.76 -1.24 -4.95 118.16 114.94 1mc7 n LYS 87 Ca 0.41 1.09 0.00 0.00 -2.87 0.00 0.00 58.31 56.94 1mc7 n LYS 87 Cb 0.78 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mc7 n ALA 88 N -1.91 0.00 -1.10 7.82 0.00 -1.26 -4.65 120.51 119.40 1mc7 n ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mc7 n ALA 88 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.00 -1.46 0.00 -0.00 -1.26 -4.85 117.44 109.87 1mc7 n TRP 89 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.06 1mc7 n TRP 89 Cb 0.00 -1.33 -0.13 0.00 -0.00 0.00 0.00 31.31 29.85 1mc7 n TRP 89 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1mc7 n ASP 90 N -0.85 0.72 -4.58 5.87 9.92 -1.26 -4.78 116.55 121.58 1mc7 n ASP 90 Ca 0.00 0.20 -0.42 0.00 -0.53 0.00 0.00 54.79 54.04 1mc7 n ASP 90 Cb 0.37 -1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 39.81 1mc7 n ASP 90 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1mc7 s PRO 91 N 8.25 3.31 -0.84 -0.24 0.04 -1.26 -4.86 135.00 139.39 1mc7 s PRO 91 Ca 1.27 0.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 1mc7 s PRO 91 Cb -1.15 -4.13 -0.21 0.00 0.04 0.00 0.00 34.50 29.06 1mc7 s PRO 91 CO 0.49 -1.91 2.16 -2.37 0.04 0.00 0.00 177.00 175.41 1mc7 n THR 92 N 6.97 0.00 -1.08 1.26 5.66 -1.26 -4.85 114.28 120.98 1mc7 n THR 92 Ca 0.15 -0.10 -0.13 0.00 -3.05 0.00 0.00 64.05 60.92 1mc7 n THR 92 Cb 0.49 -0.32 0.10 0.00 -1.55 0.00 0.00 70.33 69.05 1mc7 n THR 92 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1mc7 n PRO 93 N 6.57 -1.26 -3.67 1.09 -0.04 -1.26 -5.10 135.00 131.32 1mc7 n PRO 93 Ca 0.56 -0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 63.05 1mc7 n PRO 93 Cb 0.05 -0.67 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 1mc7 n PRO 93 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mc7 s ARG 94 N -4.20 0.67 0.00 0.54 1.04 -1.26 -5.31 118.95 110.44 1mc7 s ARG 94 Ca 0.32 0.90 0.31 0.00 -1.04 0.00 0.00 55.73 56.22 1mc7 s ARG 94 Cb -0.02 0.27 1.76 0.00 -2.04 0.00 0.00 34.95 34.92 1mc7 s ARG 94 CO 0.24 -0.10 2.15 0.45 -0.04 0.00 0.00 175.30 177.99