#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 -0.02 -0.56 12.58 1.01 -1.00 -4.80 120.40 127.60 1mc7 s VAL 2 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1mc7 s VAL 2 Cb 0.00 -0.22 0.14 0.00 0.00 0.00 0.00 36.38 36.30 1mc7 s VAL 2 CO 0.00 0.04 0.45 -0.89 0.00 0.00 0.00 175.10 174.69 1mc7 s THR 3 N 0.60 4.44 1.43 3.92 2.01 -1.26 -3.46 115.64 123.32 1mc7 s THR 3 Ca -0.04 -2.09 -0.24 0.00 0.31 0.00 0.00 61.69 59.63 1mc7 s THR 3 Cb -0.06 -3.88 0.37 0.00 0.01 0.00 0.00 72.50 68.94 1mc7 s THR 3 CO -0.03 -0.84 0.94 -0.76 -0.69 0.00 0.00 174.62 173.24 1mc7 s LEU 4 N 0.93 -1.13 -0.21 4.42 1.43 -1.26 -5.03 118.68 117.83 1mc7 s LEU 4 Ca 0.10 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1mc7 s LEU 4 Cb -0.23 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 43.91 1mc7 s LEU 4 CO -0.02 -5.39 0.04 0.21 0.23 0.00 0.00 176.35 171.41 1mc7 s ASN 5 N -3.32 3.04 0.32 2.29 3.84 -1.26 -4.99 114.94 114.87 1mc7 s ASN 5 Ca 0.69 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 52.86 1mc7 s ASN 5 Cb -0.11 -0.63 0.00 0.00 -0.55 0.00 0.00 41.25 39.96 1mc7 s ASN 5 CO 0.57 -0.31 0.00 0.23 -2.79 0.00 0.00 177.10 174.80 1mc7 n MET 6 N 5.02 -5.48 0.00 0.43 2.81 -1.26 -5.04 117.12 113.60 1mc7 n MET 6 Ca -0.09 3.92 0.00 0.00 -1.81 0.00 0.00 57.70 59.72 1mc7 n MET 6 Cb 0.47 -4.27 0.00 0.00 -0.71 0.00 0.00 33.22 28.70 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 1.13 0.00 -1.40 0.03 4.71 -1.26 -5.05 120.64 118.80 1mc7 n GLU 7 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 57.16 56.67 1mc7 n GLU 7 Cb 0.00 -0.01 -0.03 0.00 -1.01 0.00 0.00 31.44 30.39 1mc7 n GLU 7 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1mc7 n ARG 8 N -2.23 0.04 0.00 3.49 1.74 -1.26 -1.04 116.66 117.39 1mc7 n ARG 8 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1mc7 n ARG 8 Cb 0.00 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.04 0.00 -0.69 -1.55 -0.00 -1.26 -4.92 115.22 106.77 1mc7 n HIS 9 Ca 0.17 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 58.08 1mc7 n HIS 9 Cb 0.26 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.26 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 -1.70 -3.96 1.57 8.25 -0.21 -4.98 115.22 114.19 1mc7 n HIS 10 Ca 0.00 0.22 -0.27 0.00 -0.26 0.00 0.00 57.72 57.41 1mc7 n HIS 10 Cb 0.00 -1.45 -0.03 0.00 1.12 0.00 0.00 29.99 29.62 1mc7 n HIS 10 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1mc7 s PHE 11 N -2.12 3.43 -0.15 4.41 0.08 -1.26 -5.02 117.98 117.35 1mc7 s PHE 11 Ca 0.43 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 57.45 1mc7 s PHE 11 Cb -0.05 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1mc7 s PHE 11 CO 0.52 0.52 0.40 -1.17 -0.10 0.00 0.00 175.22 175.39 1mc7 s LEU 12 N -3.15 0.42 -0.63 -0.37 1.98 -1.26 -5.03 118.68 110.64 1mc7 s LEU 12 Ca 0.34 0.81 0.05 0.00 -2.89 0.00 0.00 54.13 52.43 1mc7 s LEU 12 Cb -0.11 1.35 0.16 0.00 0.66 0.00 0.00 46.19 48.25 1mc7 s LEU 12 CO 0.28 -0.14 0.41 -0.83 -1.89 0.00 0.00 176.35 174.18 1mc7 s GLY 13 N 0.35 2.71 0.43 7.98 0.00 -1.26 -5.07 107.32 112.45 1mc7 s GLY 13 Ca -0.01 -3.60 0.06 0.00 0.00 0.00 0.00 44.72 41.17 1mc7 s GLY 13 CO -0.01 1.11 0.02 -0.26 0.00 0.00 0.00 173.10 173.96 1mc7 s ILE 14 N -1.02 1.84 0.07 0.90 -5.25 -1.26 -3.43 121.20 113.04 1mc7 s ILE 14 Ca 0.23 -1.97 -0.22 0.00 -0.99 0.00 0.00 60.65 57.70 1mc7 s ILE 14 Cb -0.11 -2.82 0.05 0.00 2.95 0.00 0.00 42.46 42.54 1mc7 s ILE 14 CO -0.11 0.00 0.51 -0.44 -1.79 0.00 0.00 174.94 173.11 1mc7 s SER 15 N -3.76 -0.42 0.40 4.36 0.01 -1.25 -5.03 113.70 108.01 1mc7 s SER 15 Ca 0.29 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.72 1mc7 s SER 15 Cb 0.08 0.50 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 1mc7 s SER 15 CO 0.15 -0.76 0.00 0.27 0.41 0.00 0.00 173.24 173.31 1mc7 s ILE 16 N -2.75 2.00 0.25 1.44 -5.25 -1.26 0.20 121.20 115.84 1mc7 s ILE 16 Ca -0.04 -2.02 -0.19 0.00 -0.99 0.00 0.00 60.65 57.41 1mc7 s ILE 16 Cb -0.00 -2.96 0.02 0.00 2.95 0.00 0.00 42.46 42.46 1mc7 s ILE 16 CO -0.04 -0.02 0.64 0.54 -1.79 0.00 0.00 174.94 174.27 1mc7 s VAL 17 N -2.71 0.00 0.00 8.37 0.11 -0.55 -4.33 120.40 121.29 1mc7 s VAL 17 Ca 0.35 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1mc7 s VAL 17 Cb 0.09 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1mc7 s VAL 17 CO 0.18 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1mc7 n GLY 18 N -0.42 4.45 1.66 6.54 0.00 -1.26 -1.30 105.19 114.85 1mc7 n GLY 18 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 7.27 -1.26 -4.98 117.38 120.02 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 0.43 0.07 0.00 0.00 177.06 177.56 1mc7 n SER 20 N -2.88 0.00 -4.82 1.69 7.64 -1.26 -5.04 113.62 108.95 1mc7 n SER 20 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1mc7 n SER 20 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1mc7 n SER 20 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1mc7 s ASN 21 N 0.00 5.97 0.02 6.43 2.20 -1.24 -2.09 114.94 126.22 1mc7 s ASN 21 Ca 0.00 0.29 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 1mc7 s ASN 21 Cb 0.00 -1.82 0.00 0.00 -2.00 0.00 0.00 41.25 37.43 1mc7 s ASN 21 CO 0.00 0.33 0.00 -0.67 -2.94 0.00 0.00 177.10 173.82 1mc7 n ASP 22 N 1.54 -0.16 -3.41 3.54 -0.08 -1.20 -4.99 116.55 111.79 1mc7 n ASP 22 Ca -0.16 0.09 0.01 0.00 -1.51 0.00 0.00 54.79 53.22 1mc7 n ASP 22 Cb 0.54 0.30 -0.03 0.00 2.34 0.00 0.00 41.12 44.27 1mc7 n ASP 22 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1mc7 s ARG 23 N -2.00 0.51 -0.93 -0.67 3.52 -1.26 -4.98 118.95 113.14 1mc7 s ARG 23 Ca 0.00 1.14 -0.24 0.00 -0.13 0.00 0.00 55.73 56.50 1mc7 s ARG 23 Cb 0.00 0.67 0.03 0.00 -1.56 0.00 0.00 34.95 34.09 1mc7 s ARG 23 CO 0.00 -0.33 0.54 0.41 -0.81 0.00 0.00 175.30 175.11 1mc7 n GLY 24 N 5.38 -0.75 0.00 8.12 0.00 -1.26 -4.87 105.19 111.82 1mc7 n GLY 24 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.64 0.00 0.00 1.61 9.92 -1.26 -5.06 116.55 120.12 1mc7 n ASP 25 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1mc7 n ASP 25 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1mc7 n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mc7 n GLY 26 N 0.00 3.26 3.69 0.44 0.00 -0.89 -3.23 105.19 108.46 1mc7 n GLY 26 Ca 0.00 -0.44 -0.58 0.00 0.00 0.00 0.00 46.02 44.99 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 0.77 3.53 -0.02 0.00 -1.26 -4.23 105.19 103.97 1mc7 n GLY 27 Ca 0.00 0.94 -0.46 0.00 0.00 0.00 0.00 46.02 46.50 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 4.77 1.80 -4.25 -0.61 2.08 -1.26 -4.91 119.36 116.99 1mc7 n ILE 28 Ca 0.29 -0.45 -0.17 0.00 0.56 0.00 0.00 62.75 62.97 1mc7 n ILE 28 Cb 0.12 -0.65 -0.14 0.00 -0.75 0.00 0.00 39.64 38.21 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 -0.90 0.77 -0.18 1.39 1.13 -0.42 -4.08 117.35 115.06 1mc7 s TYR 29 Ca 0.63 -0.24 -0.40 0.00 -1.41 0.00 0.00 57.07 55.64 1mc7 s TYR 29 Cb -0.80 -0.48 -0.17 0.00 -1.10 0.00 0.00 41.96 39.40 1mc7 s TYR 29 CO 0.58 -0.02 1.50 1.51 -2.51 0.00 0.00 175.55 176.61 1mc7 n ILE 30 N 2.43 0.12 -0.25 -3.49 0.13 -0.76 -1.47 119.36 116.06 1mc7 n ILE 30 Ca -0.16 -0.02 -0.04 0.00 -1.10 0.00 0.00 62.75 61.43 1mc7 n ILE 30 Cb 0.56 -0.79 0.07 0.00 -0.84 0.00 0.00 39.64 38.64 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 5.41 1.00 -3.67 4.50 0.00 0.21 -3.36 103.07 107.15 1mc7 h GLY 31 Ca -0.47 -0.35 0.36 0.00 0.00 0.00 0.00 47.33 46.87 1mc7 h GLY 31 CO 0.87 0.32 1.00 -1.35 0.00 0.00 0.00 176.54 177.37 1mc7 s SER 32 N -5.79 -0.00 -0.19 0.19 1.04 -1.25 -4.67 113.70 103.04 1mc7 s SER 32 Ca -0.13 -0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 1mc7 s SER 32 Cb 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1mc7 s SER 32 CO 0.77 -0.00 -0.07 -0.63 0.98 0.00 0.00 173.24 174.29 1mc7 s ILE 33 N -2.00 3.26 0.59 -1.02 1.09 -1.26 -3.84 121.20 118.02 1mc7 s ILE 33 Ca 0.13 -0.55 0.32 0.00 -1.10 0.00 0.00 60.65 59.45 1mc7 s ILE 33 Cb 0.02 -2.45 0.47 0.00 -1.06 0.00 0.00 42.46 39.44 1mc7 s ILE 33 CO -0.04 0.46 1.45 0.24 -0.10 0.00 0.00 174.94 176.95 1mc7 h MET 34 N 7.67 0.00 -0.96 2.79 2.86 -1.98 -3.43 114.93 121.89 1mc7 h MET 34 Ca -0.37 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 56.88 1mc7 h MET 34 Cb 1.17 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.69 1mc7 h MET 34 CO 0.60 0.00 -0.35 1.17 1.06 0.00 0.00 176.91 179.39 1mc7 n LYS 35 N -3.48 -1.30 0.00 1.72 3.00 -1.26 -4.95 118.16 111.89 1mc7 n LYS 35 Ca 0.26 1.15 0.00 0.00 -0.00 0.00 0.00 58.31 59.72 1mc7 n LYS 35 Cb 1.52 -5.45 0.00 0.00 0.00 0.00 0.00 35.03 31.10 1mc7 n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mc7 n GLY 36 N -0.70 -2.01 0.00 3.14 0.00 -1.26 -4.63 105.19 99.73 1mc7 n GLY 36 Ca -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.89 0.30 0.00 -0.02 0.00 -1.26 -4.45 105.19 100.65 1mc7 n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mc7 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mc7 n ALA 38 N -0.43 0.00 0.34 4.61 0.00 -1.26 -3.38 120.51 120.39 1mc7 n ALA 38 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1mc7 n ALA 38 Cb 0.03 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.08 1mc7 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mc7 h VAL 39 N 0.00 0.00 -0.06 0.00 2.07 -1.95 -2.62 116.25 113.69 1mc7 h VAL 39 Ca 0.00 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1mc7 h VAL 39 Cb 0.00 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1mc7 h VAL 39 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 1mc7 h ALA 40 N 2.15 0.09 -0.11 1.67 0.00 -1.78 -2.93 119.26 118.34 1mc7 h ALA 40 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1mc7 h ALA 40 Cb 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1mc7 h ALA 40 CO 0.00 0.02 0.11 0.00 0.00 0.00 0.00 179.25 179.38 1mc7 h ALA 41 N 0.45 1.81 -0.13 0.00 0.00 -1.48 -0.88 119.26 119.03 1mc7 h ALA 41 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mc7 h ALA 41 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1mc7 h ALA 41 CO 0.03 -0.17 0.08 0.22 0.00 0.00 0.00 179.25 179.41 1mc7 h ASP 42 N 0.00 0.16 0.00 0.00 1.82 -1.43 -3.49 116.42 113.48 1mc7 h ASP 42 Ca 0.05 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1mc7 h ASP 42 Cb 0.27 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1mc7 h ASP 42 CO -0.00 0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.40 1mc7 n GLY 43 N -1.01 -0.56 2.69 -0.78 0.00 -0.33 -5.00 105.19 100.20 1mc7 n GLY 43 Ca -0.05 0.03 -0.26 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 3.13 -0.96 1.61 1.74 -1.26 -4.62 116.66 116.29 1mc7 n ARG 44 Ca 0.00 -4.57 -0.36 0.00 -0.77 0.00 0.00 57.85 52.14 1mc7 n ARG 44 Cb 0.00 -2.18 0.05 0.00 -1.02 0.00 0.00 32.46 29.32 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1mc7 n ILE 45 N -0.32 0.00 -4.34 0.55 2.08 -1.26 -5.00 119.36 111.07 1mc7 n ILE 45 Ca 0.33 -0.33 -0.18 0.00 0.56 0.00 0.00 62.75 63.13 1mc7 n ILE 45 Cb 0.54 -0.09 -0.10 0.00 -0.75 0.00 0.00 39.64 39.24 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 -2.24 1.32 0.13 0.38 2.02 -1.26 -4.91 118.70 114.15 1mc7 s GLU 46 Ca 0.41 -1.61 -0.05 0.00 0.02 0.00 0.00 54.97 53.74 1mc7 s GLU 46 Cb -0.10 -0.99 -0.07 0.00 0.10 0.00 0.00 34.13 33.06 1mc7 s GLU 46 CO 0.76 0.11 1.33 -1.00 0.02 0.00 0.00 175.26 176.48 1mc7 h PRO 47 N 2.54 0.48 -0.74 0.39 0.13 -1.83 -3.02 132.00 129.95 1mc7 h PRO 47 Ca -0.38 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1mc7 h PRO 47 Cb 1.22 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1mc7 h PRO 47 CO 0.63 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.92 1mc7 n GLY 48 N 0.82 1.18 0.28 1.56 0.00 -1.26 -1.82 105.19 105.96 1mc7 n GLY 48 Ca -0.07 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.60 0.00 -1.93 1.61 3.58 -1.82 -3.41 116.42 115.06 1mc7 h ASP 49 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1mc7 h ASP 49 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1mc7 h ASP 49 CO 0.06 0.00 -0.02 0.80 -2.88 0.00 0.00 179.24 177.20 1mc7 n MET 50 N -4.46 -0.15 -2.93 0.28 1.56 -1.25 -4.17 117.12 105.99 1mc7 n MET 50 Ca -0.01 0.02 -0.44 0.00 -0.27 0.00 0.00 57.70 57.00 1mc7 n MET 50 Cb 0.18 -2.57 -0.02 0.00 2.15 0.00 0.00 33.22 32.96 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 -1.94 5.05 0.00 -0.89 1.98 -1.26 -2.61 118.68 119.01 1mc7 s LEU 51 Ca 0.00 -2.24 0.00 0.00 -2.89 0.00 0.00 54.13 49.00 1mc7 s LEU 51 Cb -0.00 -2.40 0.00 0.00 0.66 0.00 0.00 46.19 44.45 1mc7 s LEU 51 CO 0.02 -1.00 0.54 0.00 -1.89 0.00 0.00 176.35 174.01 1mc7 n LEU 52 N 6.36 0.76 -4.15 -0.68 -0.00 -1.21 -4.16 117.00 113.92 1mc7 n LEU 52 Ca 0.27 -0.76 -0.13 0.00 -0.00 0.00 0.00 56.01 55.38 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 0.53 0.19 -0.41 0.00 -0.00 0.00 0.00 177.39 177.70 1mc7 s GLN 53 N -0.28 0.76 0.03 1.47 -2.07 -0.90 -3.45 119.66 115.21 1mc7 s GLN 53 Ca 0.00 -1.09 -0.01 0.00 -1.82 0.00 0.00 55.36 52.45 1mc7 s GLN 53 Cb 0.00 -0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 31.48 1mc7 s GLN 53 CO 0.00 0.06 -0.02 0.08 -1.32 0.00 0.00 175.29 174.09 1mc7 s VAL 54 N -2.37 0.14 0.00 3.63 1.01 -1.12 0.25 120.40 121.94 1mc7 s VAL 54 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1mc7 s VAL 54 Cb -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1mc7 s VAL 54 CO -0.01 -0.62 0.00 -3.20 0.00 0.00 0.00 175.10 171.27 1mc7 n ASN 55 N 1.20 0.00 0.00 3.32 2.85 0.42 0.14 115.26 123.19 1mc7 n ASN 55 Ca -0.21 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.37 1mc7 n ASN 55 Cb 0.57 0.00 0.65 0.00 1.24 0.00 0.00 39.78 42.24 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 -2.24 0.00 -4.86 1.20 -0.08 -1.26 -4.79 116.55 104.52 1mc7 n ASP 56 Ca 0.00 -1.12 -0.31 0.00 -1.51 0.00 0.00 54.79 51.85 1mc7 n ASP 56 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1mc7 s VAL 57 N -2.00 4.67 -0.38 5.18 1.01 0.36 -5.05 120.40 124.19 1mc7 s VAL 57 Ca 0.33 0.91 0.04 0.00 0.00 0.00 0.00 61.98 63.26 1mc7 s VAL 57 Cb 0.15 -3.69 0.16 0.00 0.00 0.00 0.00 36.38 33.00 1mc7 s VAL 57 CO 0.25 -0.46 0.44 0.20 0.00 0.00 0.00 175.10 175.53 1mc7 s ASN 58 N -2.84 0.52 -0.27 3.32 -0.87 -1.26 -2.80 114.94 110.74 1mc7 s ASN 58 Ca 0.55 -1.38 -0.06 0.00 -1.57 0.00 0.00 52.86 50.40 1mc7 s ASN 58 Cb -0.10 0.90 -0.19 0.00 -0.02 0.00 0.00 41.25 41.83 1mc7 s ASN 58 CO 0.26 -0.24 3.00 0.49 -2.57 0.00 0.00 177.10 178.05 1mc7 n PHE 59 N 4.30 0.40 0.05 2.20 3.72 -1.22 -4.51 117.46 122.39 1mc7 n PHE 59 Ca 0.11 -1.53 -0.02 0.00 -0.05 0.00 0.00 57.45 55.96 1mc7 n PHE 59 Cb 0.48 -1.55 -0.01 0.00 -0.94 0.00 0.00 39.48 37.46 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 3.91 -0.12 -0.69 -1.08 4.39 -1.96 -2.75 114.58 116.28 1mc7 h GLU 60 Ca 0.27 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.18 1mc7 h GLU 60 Cb 1.06 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1mc7 h GLU 60 CO 0.55 -0.08 0.75 -0.91 -1.16 0.00 0.00 179.01 178.16 1mc7 h ASN 61 N -0.18 0.00 0.00 1.42 4.21 -2.00 -2.77 115.58 116.26 1mc7 h ASN 61 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1mc7 h ASN 61 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1mc7 h ASN 61 CO 0.02 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.39 1mc7 n MET 62 N -3.56 0.00 -4.02 0.81 2.81 -1.14 -4.83 117.12 107.19 1mc7 n MET 62 Ca 0.14 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.72 1mc7 n MET 62 Cb 0.99 -0.79 -0.04 0.00 -0.71 0.00 0.00 33.22 32.66 1mc7 n MET 62 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1mc7 n SER 63 N -0.34 -0.89 -1.41 7.83 2.88 -1.05 -4.75 113.62 115.89 1mc7 n SER 63 Ca 0.00 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 1mc7 n SER 63 Cb 0.00 -1.32 0.21 0.00 -0.75 0.00 0.00 64.21 62.36 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 -2.05 3.72 -1.86 -3.46 5.15 -1.26 -4.84 115.26 110.66 1mc7 n ASN 64 Ca -0.20 -2.63 -0.06 0.00 -0.60 0.00 0.00 54.58 51.08 1mc7 n ASN 64 Cb 0.53 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.14 1mc7 n ASN 64 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1mc7 n ASP 65 N 0.19 -2.10 -0.90 1.20 9.92 -1.26 -4.49 116.55 119.11 1mc7 n ASP 65 Ca 0.20 0.25 -0.06 0.00 -0.53 0.00 0.00 54.79 54.66 1mc7 n ASP 65 Cb 0.89 -2.02 -0.06 0.00 -0.64 0.00 0.00 41.12 39.30 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 -0.74 -0.81 0.24 -2.24 8.00 -1.26 -4.73 116.55 115.01 1mc7 n ASP 66 Ca -0.07 -1.67 0.14 0.00 0.71 0.00 0.00 54.79 53.91 1mc7 n ASP 66 Cb 0.39 0.24 0.77 0.00 -0.02 0.00 0.00 41.12 42.50 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mc7 h ALA 67 N 0.00 1.07 -0.92 2.24 0.00 -1.96 -0.26 119.26 119.43 1mc7 h ALA 67 Ca -0.46 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1mc7 h ALA 67 Cb 1.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1mc7 h ALA 67 CO -0.23 -0.07 0.58 0.28 0.00 0.00 0.00 179.25 179.81 1mc7 h VAL 68 N 0.00 1.06 -0.74 0.00 2.07 -1.96 0.43 116.25 117.12 1mc7 h VAL 68 Ca 0.00 -0.36 0.21 0.00 0.82 0.00 0.00 66.70 67.37 1mc7 h VAL 68 Cb 0.17 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1mc7 h VAL 68 CO 0.00 0.19 0.95 -0.09 0.02 0.00 0.00 177.57 178.65 1mc7 h ARG 69 N 1.06 0.00 0.00 1.57 2.43 -1.46 0.89 114.38 118.87 1mc7 h ARG 69 Ca 0.40 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.35 1mc7 h ARG 69 Cb 0.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1mc7 h ARG 69 CO -0.17 0.00 -1.76 0.28 -1.51 0.00 0.00 179.97 176.81 1mc7 n VAL 70 N -3.29 0.75 -0.30 0.20 0.31 0.05 -4.41 118.33 111.64 1mc7 n VAL 70 Ca 0.16 -0.22 0.10 0.00 -0.01 0.00 0.00 64.34 64.37 1mc7 n VAL 70 Cb 1.19 -1.44 0.27 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.43 -2.11 7.52 5.85 0.14 1.56 115.31 128.37 1mc7 h LEU 71 Ca -0.33 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1mc7 h LEU 71 Cb 1.35 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1mc7 h LEU 71 CO -0.16 0.11 0.00 -0.09 -0.34 0.00 0.00 178.44 177.96 1mc7 h ARG 72 N 0.51 0.00 0.00 1.25 9.65 0.50 0.10 114.38 126.39 1mc7 h ARG 72 Ca 0.51 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.39 1mc7 h ARG 72 Cb 0.87 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 1mc7 h ARG 72 CO -0.45 0.00 0.00 1.05 2.80 0.00 0.00 179.97 183.37 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.21 -3.10 114.58 116.00 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 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 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 -2.97 0.00 -0.35 -1.06 2.08 0.02 -1.28 119.36 115.80 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 0.50 -0.78 0.53 0.00 -0.75 0.00 0.00 39.64 39.14 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 -0.25 0.27 1.39 0.24 -1.25 0.11 118.33 118.83 1mc7 n VAL 75 Ca 0.00 1.54 -0.15 0.00 -2.04 0.00 0.00 64.34 63.70 1mc7 n VAL 75 Cb 0.00 -2.52 -0.08 0.00 -1.47 0.00 0.00 33.84 29.77 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 -1.07 0.00 -1.34 0.87 -1.63 -3.35 113.55 107.03 1mc7 h SER 76 Ca 0.72 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.35 1mc7 h SER 76 Cb 2.18 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 64.48 1mc7 h SER 76 CO -0.46 -0.55 0.00 0.00 -0.53 0.00 0.00 176.83 175.29 1mc7 n GLN 77 N -4.84 0.42 -0.98 2.24 6.02 0.30 -4.79 117.38 115.74 1mc7 n GLN 77 Ca -0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.53 1mc7 n GLN 77 Cb 0.38 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.68 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 0.00 5.09 -2.24 -1.26 -4.62 114.28 111.25 1mc7 n THR 78 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1mc7 n THR 78 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 3.33 1.81 3.78 3.38 0.00 -1.26 -3.90 105.19 112.33 1mc7 n GLY 79 Ca -0.01 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.72 4.11 0.27 1.61 0.04 -1.26 -4.54 135.00 131.50 1mc7 s PRO 80 Ca 0.00 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.32 1mc7 s PRO 80 Cb 0.00 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1mc7 s PRO 80 CO 0.00 -0.19 0.83 0.42 0.04 0.00 0.00 177.00 178.10 1mc7 s ILE 81 N -1.69 4.40 0.00 0.56 1.01 -1.26 -4.51 121.20 119.70 1mc7 s ILE 81 Ca 0.59 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1mc7 s ILE 81 Cb -0.22 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1mc7 s ILE 81 CO 0.27 0.18 0.00 -1.20 0.00 0.00 0.00 174.94 174.19 1mc7 n SER 82 N 0.66 0.00 -2.66 3.58 7.64 -1.26 -4.73 113.62 116.86 1mc7 n SER 82 Ca -0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.61 1mc7 n SER 82 Cb 0.51 0.00 -0.00 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 -1.70 -3.94 -3.43 4.32 -1.22 -0.43 117.00 110.59 1mc7 n LEU 83 Ca 0.00 0.51 -0.10 0.00 -0.02 0.00 0.00 56.01 56.41 1mc7 n LEU 83 Cb 0.00 -0.55 -0.11 0.00 -1.62 0.00 0.00 43.42 41.15 1mc7 n LEU 83 CO 0.00 -2.54 -0.28 -0.89 -1.22 0.00 0.00 177.39 172.46 1mc7 s THR 84 N -1.01 0.10 0.08 -5.08 2.01 0.70 -2.38 115.64 110.06 1mc7 s THR 84 Ca 0.37 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1mc7 s THR 84 Cb -0.41 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1mc7 s THR 84 CO 0.38 -0.45 -0.09 0.68 -0.69 0.00 0.00 174.62 174.46 1mc7 s VAL 85 N -1.43 0.76 -0.45 3.82 -7.23 -1.26 -2.12 120.40 112.50 1mc7 s VAL 85 Ca -0.15 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1mc7 s VAL 85 Cb -0.09 -1.20 0.25 0.00 0.56 0.00 0.00 36.38 35.91 1mc7 s VAL 85 CO 0.00 -0.57 2.15 0.00 -0.31 0.00 0.00 175.10 176.37 1mc7 n ALA 86 N 0.72 5.71 -1.18 1.32 0.00 -1.08 -1.50 120.51 124.51 1mc7 n ALA 86 Ca -0.17 -2.45 0.14 0.00 0.00 0.00 0.00 53.44 50.95 1mc7 n ALA 86 Cb 0.57 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 0.09 -2.26 0.00 0.00 3.00 -1.26 -5.01 118.16 112.72 1mc7 n LYS 87 Ca 0.42 1.67 0.00 0.00 -0.00 0.00 0.00 58.31 60.40 1mc7 n LYS 87 Cb 0.58 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.77 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mc7 n ALA 88 N -2.83 0.00 -1.47 3.14 0.00 -1.26 -4.65 120.51 113.43 1mc7 n ALA 88 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1mc7 n ALA 88 Cb 0.63 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 1mc7 n ALA 88 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1mc7 n TRP 89 N 0.00 0.79 -4.11 0.00 4.27 -1.26 -4.85 117.44 112.28 1mc7 n TRP 89 Ca 0.00 0.39 -0.15 0.00 -3.89 0.00 0.00 57.50 53.85 1mc7 n TRP 89 Cb 0.00 -2.41 -0.12 0.00 -1.36 0.00 0.00 31.31 27.42 1mc7 n TRP 89 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 1mc7 s ASP 90 N 9.00 1.19 -0.77 -0.67 3.84 -1.26 -5.08 116.67 122.92 1mc7 s ASP 90 Ca 1.28 -0.58 -0.26 0.00 -0.00 0.00 0.00 52.55 53.00 1mc7 s ASP 90 Cb -1.13 0.00 0.00 0.00 -1.38 0.00 0.00 42.92 40.42 1mc7 s ASP 90 CO 0.48 -0.15 1.61 -2.16 -0.00 0.00 0.00 175.17 174.94 1mc7 s PRO 91 N -1.64 2.97 -0.49 2.11 0.04 -1.26 -4.90 135.00 131.83 1mc7 s PRO 91 Ca -0.07 -0.12 0.03 0.00 0.04 0.00 0.00 61.00 60.88 1mc7 s PRO 91 Cb -0.10 -4.59 0.15 0.00 0.04 0.00 0.00 34.50 30.00 1mc7 s PRO 91 CO 0.01 -2.55 0.32 0.99 0.04 0.00 0.00 177.00 175.82 1mc7 s THR 92 N 7.40 1.48 -1.18 1.26 2.01 -1.26 -5.03 115.64 120.32 1mc7 s THR 92 Ca 0.53 -2.98 -0.19 0.00 0.31 0.00 0.00 61.69 59.36 1mc7 s THR 92 Cb -0.08 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1mc7 s THR 92 CO 0.10 -1.01 1.95 -0.81 -0.69 0.00 0.00 174.62 174.16 1mc7 n PRO 93 N 3.00 2.29 -3.41 4.92 -0.04 -1.26 -4.50 135.00 136.01 1mc7 n PRO 93 Ca 0.17 -2.56 -0.15 0.00 -0.04 0.00 0.00 63.50 60.92 1mc7 n PRO 93 Cb 0.38 -3.37 -0.03 0.00 -0.04 0.00 0.00 33.50 30.45 1mc7 n PRO 93 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mc7 n ARG 94 N 7.49 -0.91 0.00 0.54 1.85 -1.26 -5.30 116.66 119.07 1mc7 n ARG 94 Ca 0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 1mc7 n ARG 94 Cb 0.43 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 1mc7 n ARG 94 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49