#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 -0.48 12.58 1.01 -1.26 -4.92 120.40 127.35 1mc7 s VAL 2 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1mc7 s VAL 2 Cb 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 36.38 36.14 1mc7 s VAL 2 CO 0.00 -0.10 0.29 -0.89 0.00 0.00 0.00 175.10 174.40 1mc7 s THR 3 N -0.32 3.53 -0.07 3.92 2.01 -1.26 -4.29 115.64 119.15 1mc7 s THR 3 Ca -0.04 -2.29 -0.29 0.00 0.31 0.00 0.00 61.69 59.38 1mc7 s THR 3 Cb -0.03 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 1mc7 s THR 3 CO 0.01 -0.76 1.91 -0.76 -0.69 0.00 0.00 174.62 174.34 1mc7 s LEU 4 N 0.82 4.12 -0.68 4.42 1.43 -1.26 -4.90 118.68 122.62 1mc7 s LEU 4 Ca 0.10 2.26 -0.27 0.00 -1.03 0.00 0.00 54.13 55.19 1mc7 s LEU 4 Cb -0.22 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1mc7 s LEU 4 CO -0.04 -1.26 1.24 0.21 0.23 0.00 0.00 176.35 176.73 1mc7 s ASN 5 N 5.06 6.26 -0.24 2.29 3.84 -1.26 -4.84 114.94 126.05 1mc7 s ASN 5 Ca 0.86 -0.27 -0.29 0.00 0.21 0.00 0.00 52.86 53.37 1mc7 s ASN 5 Cb -0.36 -2.55 0.17 0.00 -0.55 0.00 0.00 41.25 37.95 1mc7 s ASN 5 CO 0.36 -1.71 1.23 -0.04 -2.79 0.00 0.00 177.10 174.15 1mc7 s MET 6 N 5.44 0.25 0.94 0.43 -1.94 -1.26 -5.17 119.30 117.99 1mc7 s MET 6 Ca 0.37 0.07 -0.12 0.00 -1.71 0.00 0.00 55.69 54.30 1mc7 s MET 6 Cb -0.08 0.12 0.16 0.00 2.01 0.00 0.00 34.83 37.04 1mc7 s MET 6 CO 0.18 -0.08 1.09 -1.21 -0.01 0.00 0.00 175.02 175.00 1mc7 s GLU 7 N -1.02 0.86 -0.98 2.03 8.01 -1.26 -4.87 118.70 121.47 1mc7 s GLU 7 Ca 0.05 0.79 -0.24 0.00 0.01 0.00 0.00 54.97 55.58 1mc7 s GLU 7 Cb -0.01 -1.77 -0.03 0.00 -4.31 0.00 0.00 34.13 28.01 1mc7 s GLU 7 CO -0.05 -2.51 1.85 1.03 0.01 0.00 0.00 175.26 175.60 1mc7 s ARG 8 N -4.89 2.78 0.28 1.61 0.52 -1.26 -4.86 118.95 113.13 1mc7 s ARG 8 Ca 0.64 -0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 55.20 1mc7 s ARG 8 Cb -0.19 -5.16 -0.02 0.00 0.52 0.00 0.00 34.95 30.11 1mc7 s ARG 8 CO 0.58 -3.22 0.35 -1.58 0.02 0.00 0.00 175.30 171.44 1mc7 s HIS 9 N 9.12 1.02 -0.35 -0.53 2.46 -1.26 -5.05 115.29 120.69 1mc7 s HIS 9 Ca 0.65 -1.23 0.01 0.00 0.47 0.00 0.00 55.06 54.96 1mc7 s HIS 9 Cb -0.04 -0.25 0.10 0.00 -0.13 0.00 0.00 32.58 32.26 1mc7 s HIS 9 CO -0.00 -0.92 0.08 -3.38 -2.47 0.00 0.00 174.74 168.06 1mc7 s HIS 10 N -3.67 3.65 0.00 3.88 -3.43 -1.26 -4.86 115.29 109.60 1mc7 s HIS 10 Ca 0.32 -2.72 0.00 0.00 -0.80 0.00 0.00 55.06 51.86 1mc7 s HIS 10 Cb 0.02 -2.91 0.00 0.00 -1.43 0.00 0.00 32.58 28.26 1mc7 s HIS 10 CO 0.16 -0.95 0.00 0.34 -2.00 0.00 0.00 174.74 172.30 1mc7 n PHE 11 N 4.39 0.00 -4.35 0.38 7.35 -1.26 -5.05 117.46 118.92 1mc7 n PHE 11 Ca -0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 1mc7 n PHE 11 Cb 0.42 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.16 1mc7 n PHE 11 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 1mc7 s LEU 12 N -4.40 3.50 -0.27 -2.13 -0.00 -1.26 -5.05 118.68 109.06 1mc7 s LEU 12 Ca 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 54.13 54.07 1mc7 s LEU 12 Cb 0.00 -1.91 -0.05 0.00 -0.00 0.00 0.00 46.19 44.23 1mc7 s LEU 12 CO 0.00 0.32 0.17 -0.83 -0.00 0.00 0.00 176.35 176.01 1mc7 s GLY 13 N -1.24 1.90 0.42 -3.48 0.00 -1.26 -5.07 107.32 98.59 1mc7 s GLY 13 Ca 0.17 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1mc7 s GLY 13 CO 0.07 0.62 0.04 -0.26 0.00 0.00 0.00 173.10 173.57 1mc7 s ILE 14 N 1.71 1.30 0.16 0.90 -4.36 -1.26 -3.49 121.20 116.16 1mc7 s ILE 14 Ca 0.07 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.22 1mc7 s ILE 14 Cb -0.16 -2.58 0.06 0.00 1.25 0.00 0.00 42.46 41.03 1mc7 s ILE 14 CO 0.09 0.00 0.78 -0.44 0.24 0.00 0.00 174.94 175.62 1mc7 s SER 15 N -3.69 -0.34 0.41 4.36 0.01 -1.25 -5.03 113.70 108.16 1mc7 s SER 15 Ca 0.24 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.30 1mc7 s SER 15 Cb 0.06 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.80 1mc7 s SER 15 CO 0.12 -1.00 0.12 0.27 0.41 0.00 0.00 173.24 173.17 1mc7 s ILE 16 N -3.56 2.26 0.29 1.44 -5.25 -1.26 0.13 121.20 115.25 1mc7 s ILE 16 Ca 0.08 -1.80 -0.17 0.00 -0.99 0.00 0.00 60.65 57.76 1mc7 s ILE 16 Cb -0.03 -2.98 0.02 0.00 2.95 0.00 0.00 42.46 42.42 1mc7 s ILE 16 CO -0.03 -0.02 0.65 0.54 -1.79 0.00 0.00 174.94 174.30 1mc7 s VAL 17 N -2.62 0.00 0.00 8.37 0.11 0.46 -3.89 120.40 122.83 1mc7 s VAL 17 Ca 0.39 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1mc7 s VAL 17 Cb 0.05 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1mc7 s VAL 17 CO 0.21 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1mc7 n GLY 18 N -0.45 4.79 0.00 6.54 0.00 -1.26 -0.95 105.19 113.86 1mc7 n GLY 18 Ca -0.04 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.90 1.61 7.27 -1.26 -4.98 117.38 118.12 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 0.00 -7.73 -3.65 1.69 7.64 -1.26 -5.04 113.62 105.27 1mc7 n SER 20 Ca 0.00 1.28 -0.23 0.00 1.01 0.00 0.00 58.87 60.92 1mc7 n SER 20 Cb 0.00 -4.26 -0.17 0.00 -1.01 0.00 0.00 64.21 58.76 1mc7 n SER 20 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1mc7 s ASN 21 N -0.44 1.78 -0.86 6.43 2.47 -1.26 -5.07 114.94 117.99 1mc7 s ASN 21 Ca 0.00 -0.27 -0.25 0.00 0.42 0.00 0.00 52.86 52.75 1mc7 s ASN 21 Cb 0.00 -0.23 -0.11 0.00 -1.45 0.00 0.00 41.25 39.46 1mc7 s ASN 21 CO 0.00 -0.29 2.21 -1.81 -3.72 0.00 0.00 177.10 173.49 1mc7 s ASP 22 N 2.13 4.35 0.00 -4.21 1.11 -1.26 -4.40 116.67 114.38 1mc7 s ASP 22 Ca 0.03 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.43 1mc7 s ASP 22 Cb -0.14 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.29 1mc7 s ASP 22 CO -0.06 -3.50 0.00 -1.14 1.18 0.00 0.00 175.17 171.65 1mc7 n ARG 23 N 8.78 0.00 -3.21 8.23 3.00 -1.26 -5.03 116.66 127.16 1mc7 n ARG 23 Ca 0.44 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 58.01 1mc7 n ARG 23 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.93 1mc7 n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mc7 n GLY 24 N 0.00 -0.25 0.00 5.14 0.00 -1.26 -4.93 105.19 103.88 1mc7 n GLY 24 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.66 0.00 -2.87 1.61 8.00 -1.26 -5.14 116.55 116.23 1mc7 n ASP 25 Ca -0.14 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.38 1mc7 n ASP 25 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1mc7 n ASP 25 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1mc7 s GLY 26 N 0.00 -1.46 -0.22 0.44 0.00 -1.26 -4.10 107.32 100.72 1mc7 s GLY 26 Ca 0.00 1.17 -0.06 0.00 0.00 0.00 0.00 44.72 45.83 1mc7 s GLY 26 CO 0.00 4.19 0.42 -0.32 0.00 0.00 0.00 173.10 177.39 1mc7 s GLY 27 N 2.02 -0.41 0.25 0.20 0.00 -1.26 -4.98 107.32 103.15 1mc7 s GLY 27 Ca 0.16 1.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.99 1mc7 s GLY 27 CO -0.14 2.52 1.15 1.39 0.00 0.00 0.00 173.10 178.02 1mc7 n ILE 28 N 5.39 1.52 -4.39 0.90 2.08 -1.26 -4.93 119.36 118.66 1mc7 n ILE 28 Ca -0.07 -0.38 -0.20 0.00 0.56 0.00 0.00 62.75 62.66 1mc7 n ILE 28 Cb 0.50 -1.10 -0.10 0.00 -0.75 0.00 0.00 39.64 38.19 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 -0.65 1.84 0.02 1.39 1.13 -0.12 -3.77 117.35 117.19 1mc7 s TYR 29 Ca 0.64 -0.68 -0.34 0.00 -1.41 0.00 0.00 57.07 55.28 1mc7 s TYR 29 Cb -0.72 -1.00 -0.13 0.00 -1.10 0.00 0.00 41.96 39.02 1mc7 s TYR 29 CO 0.56 0.27 1.76 1.51 -2.51 0.00 0.00 175.55 177.14 1mc7 n ILE 30 N -0.51 0.34 -0.07 -3.49 0.13 -0.93 0.17 119.36 115.00 1mc7 n ILE 30 Ca -0.06 -0.06 -0.07 0.00 -1.10 0.00 0.00 62.75 61.45 1mc7 n ILE 30 Cb 0.62 -1.75 -0.00 0.00 -0.84 0.00 0.00 39.64 37.67 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 7.87 0.32 0.00 4.50 0.00 0.99 -3.37 103.07 113.39 1mc7 h GLY 31 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1mc7 h GLY 31 CO 0.92 -0.01 0.00 1.44 0.00 0.00 0.00 176.54 178.89 1mc7 n SER 32 N -5.08 0.00 -4.40 0.19 7.64 -1.25 -4.66 113.62 106.05 1mc7 n SER 32 Ca -0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.51 1mc7 n SER 32 Cb 0.12 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 1mc7 n SER 32 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1mc7 s ILE 33 N -2.00 4.04 -1.45 0.44 1.09 -1.26 -3.95 121.20 118.11 1mc7 s ILE 33 Ca 0.00 -0.31 0.12 0.00 -1.10 0.00 0.00 60.65 59.36 1mc7 s ILE 33 Cb 0.00 -2.90 0.21 0.00 -1.06 0.00 0.00 42.46 38.71 1mc7 s ILE 33 CO 0.00 0.33 1.27 0.23 -0.10 0.00 0.00 174.94 176.67 1mc7 n MET 34 N 4.89 0.17 0.00 2.79 2.81 -1.23 -4.90 117.12 121.65 1mc7 n MET 34 Ca -0.17 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1mc7 n MET 34 Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1mc7 n MET 34 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1mc7 n LYS 35 N -1.27 0.00 0.00 0.03 5.02 -1.26 -4.84 118.16 115.83 1mc7 n LYS 35 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1mc7 n LYS 35 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 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 0.00 1.61 0.00 0.72 0.00 -1.26 -3.30 105.19 102.96 1mc7 n GLY 36 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1mc7 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc7 n GLY 37 N 0.00 0.47 0.00 -0.02 0.00 -1.26 -5.01 105.19 99.37 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 0.00 0.00 0.22 4.61 0.00 -1.21 -3.35 120.51 120.78 1mc7 n ALA 38 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1mc7 n ALA 38 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 0.22 -0.36 0.00 2.07 -1.97 -3.03 116.25 113.18 1mc7 h VAL 39 Ca 0.00 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1mc7 h VAL 39 Cb 0.00 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1mc7 h VAL 39 CO 0.00 0.11 0.05 0.00 0.02 0.00 0.00 177.57 177.75 1mc7 h ALA 40 N 1.89 0.48 0.00 1.67 0.00 -1.77 -2.06 119.26 119.46 1mc7 h ALA 40 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1mc7 h ALA 40 Cb 0.91 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1mc7 h ALA 40 CO 0.01 0.19 -0.13 0.00 0.00 0.00 0.00 179.25 179.33 1mc7 h ALA 41 N 0.90 1.06 -0.58 0.00 0.00 -1.54 -2.24 119.26 116.85 1mc7 h ALA 41 Ca 0.11 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1mc7 h ALA 41 Cb 0.37 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1mc7 h ALA 41 CO 0.01 0.16 0.22 0.22 0.00 0.00 0.00 179.25 179.86 1mc7 h ASP 42 N 0.00 0.22 0.00 0.00 3.58 -1.25 -3.44 116.42 115.53 1mc7 h ASP 42 Ca -0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1mc7 h ASP 42 Cb 0.57 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1mc7 h ASP 42 CO 0.02 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 1mc7 n GLY 43 N -1.29 -0.72 4.07 -0.78 0.00 -1.07 -4.95 105.19 100.44 1mc7 n GLY 43 Ca 0.08 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1mc7 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mc7 n ARG 44 N 0.00 -0.30 -0.92 1.61 3.00 -0.86 -4.80 116.66 114.39 1mc7 n ARG 44 Ca 0.00 -0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 1mc7 n ARG 44 Cb 0.00 -2.16 0.07 0.00 0.00 0.00 0.00 32.46 30.37 1mc7 n ARG 44 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1mc7 n ILE 45 N -4.69 0.00 -4.38 0.55 2.08 -1.26 -5.00 119.36 106.66 1mc7 n ILE 45 Ca -0.11 -0.24 -0.20 0.00 0.56 0.00 0.00 62.75 62.76 1mc7 n ILE 45 Cb 0.51 -0.18 -0.10 0.00 -0.75 0.00 0.00 39.64 39.12 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 -2.45 1.43 0.13 0.38 2.02 -1.26 -4.86 118.70 114.09 1mc7 s GLU 46 Ca 0.43 -1.68 -0.06 0.00 0.02 0.00 0.00 54.97 53.68 1mc7 s GLU 46 Cb -0.07 -1.11 -0.09 0.00 0.10 0.00 0.00 34.13 32.97 1mc7 s GLU 46 CO 0.72 0.11 1.32 -1.00 0.02 0.00 0.00 175.26 176.43 1mc7 h PRO 47 N 2.43 0.51 -0.12 0.39 0.13 -1.83 -2.98 132.00 130.53 1mc7 h PRO 47 Ca -0.39 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1mc7 h PRO 47 Cb 1.23 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1mc7 h PRO 47 CO 0.64 1.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.95 1mc7 n GLY 48 N 0.83 -0.69 0.46 1.56 0.00 -1.26 -2.19 105.19 103.90 1mc7 n GLY 48 Ca -0.07 -0.01 0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 0.05 0.24 -1.41 1.61 5.19 -1.82 -3.42 116.42 116.87 1mc7 h ASP 49 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1mc7 h ASP 49 Cb 0.07 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1mc7 h ASP 49 CO 0.00 0.04 0.00 0.80 -3.12 0.00 0.00 179.24 176.96 1mc7 n MET 50 N -4.43 0.00 -2.62 3.56 1.56 -1.25 -3.82 117.12 110.11 1mc7 n MET 50 Ca 0.25 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.26 1mc7 n MET 50 Cb 1.03 -1.93 -0.03 0.00 2.15 0.00 0.00 33.22 34.45 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 -1.41 3.79 0.00 -0.89 1.98 -1.26 -2.40 118.68 118.50 1mc7 s LEU 51 Ca 0.00 -1.68 0.00 0.00 -2.89 0.00 0.00 54.13 49.56 1mc7 s LEU 51 Cb 0.00 -2.54 0.00 0.00 0.66 0.00 0.00 46.19 44.31 1mc7 s LEU 51 CO 0.00 -1.39 0.58 0.00 -1.89 0.00 0.00 176.35 173.64 1mc7 n LEU 52 N 8.44 0.90 -3.97 -0.68 -0.00 -1.20 -4.19 117.00 116.29 1mc7 n LEU 52 Ca 0.34 -0.90 -0.13 0.00 -0.00 0.00 0.00 56.01 55.32 1mc7 n LEU 52 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.79 1mc7 n LEU 52 CO 0.65 0.22 -0.38 0.00 -0.00 0.00 0.00 177.39 177.88 1mc7 s GLN 53 N -0.33 0.32 0.02 1.47 -2.07 -0.74 -2.85 119.66 115.48 1mc7 s GLN 53 Ca 0.00 -0.37 -0.03 0.00 -1.82 0.00 0.00 55.36 53.14 1mc7 s GLN 53 Cb 0.00 -0.18 -0.01 0.00 -1.09 0.00 0.00 33.01 31.73 1mc7 s GLN 53 CO 0.00 0.04 0.04 0.08 -1.32 0.00 0.00 175.29 174.13 1mc7 s VAL 54 N -0.68 0.11 0.00 3.63 1.01 -1.18 0.25 120.40 123.54 1mc7 s VAL 54 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1mc7 s VAL 54 Cb -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1mc7 s VAL 54 CO -0.00 -0.51 0.00 -0.46 0.00 0.00 0.00 175.10 174.13 1mc7 n ASN 55 N 1.34 0.00 -0.06 3.32 6.94 -0.07 0.16 115.26 126.89 1mc7 n ASN 55 Ca -0.22 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.36 1mc7 n ASN 55 Cb 0.56 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.09 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1mc7 n ASP 56 N -1.47 0.18 -4.88 0.53 5.68 -1.26 -4.82 116.55 110.52 1mc7 n ASP 56 Ca 0.00 -1.90 -0.30 0.00 -0.50 0.00 0.00 54.79 52.09 1mc7 n ASP 56 Cb 0.00 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 1mc7 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1mc7 s VAL 57 N -1.96 4.84 -0.38 2.12 1.01 0.43 -5.06 120.40 121.40 1mc7 s VAL 57 Ca 0.07 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1mc7 s VAL 57 Cb 0.03 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.83 1mc7 s VAL 57 CO 0.05 -0.50 0.34 0.54 0.00 0.00 0.00 175.10 175.54 1mc7 s ASN 58 N -3.21 1.56 -0.74 3.32 4.22 -1.26 -3.10 114.94 115.74 1mc7 s ASN 58 Ca 0.50 -2.00 -0.08 0.00 -2.14 0.00 0.00 52.86 49.14 1mc7 s ASN 58 Cb -0.10 0.21 -0.19 0.00 1.28 0.00 0.00 41.25 42.45 1mc7 s ASN 58 CO 0.32 -0.25 3.33 0.49 -2.04 0.00 0.00 177.10 178.95 1mc7 n PHE 59 N 3.89 1.09 0.01 1.54 3.72 -1.13 -4.55 117.46 122.04 1mc7 n PHE 59 Ca 0.15 -2.22 -0.01 0.00 -0.05 0.00 0.00 57.45 55.32 1mc7 n PHE 59 Cb 0.44 -2.01 -0.00 0.00 -0.94 0.00 0.00 39.48 36.97 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 3.90 -0.04 -0.54 -1.08 4.39 -1.96 -2.86 114.58 116.40 1mc7 h GLU 60 Ca 0.50 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.36 1mc7 h GLU 60 Cb 0.96 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1mc7 h GLU 60 CO 0.93 -0.02 0.67 -0.91 -1.16 0.00 0.00 179.01 178.52 1mc7 h ASN 61 N -0.08 0.00 0.00 1.42 4.21 -1.98 -2.91 115.58 116.25 1mc7 h ASN 61 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1mc7 h ASN 61 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1mc7 h ASN 61 CO 0.01 0.00 0.00 0.80 -1.29 0.00 0.00 177.43 176.95 1mc7 n MET 62 N -3.47 0.00 -3.94 0.81 1.56 -1.21 -4.81 117.12 106.06 1mc7 n MET 62 Ca 0.11 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.29 1mc7 n MET 62 Cb 0.87 -0.64 -0.08 0.00 2.15 0.00 0.00 33.22 35.52 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 -0.24 0.65 -4.94 6.12 2.88 -1.08 -4.88 113.62 112.13 1mc7 n SER 63 Ca 0.00 -1.01 -0.26 0.00 -1.33 0.00 0.00 58.87 56.27 1mc7 n SER 63 Cb 0.00 -1.26 -0.03 0.00 -0.75 0.00 0.00 64.21 62.17 1mc7 n SER 63 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1mc7 s ASN 64 N -4.04 6.36 -0.55 -3.46 3.84 -1.26 -4.56 114.94 111.28 1mc7 s ASN 64 Ca 0.03 0.32 -0.06 0.00 0.21 0.00 0.00 52.86 53.36 1mc7 s ASN 64 Cb -0.02 -1.97 -0.15 0.00 -0.55 0.00 0.00 41.25 38.56 1mc7 s ASN 64 CO 0.79 -0.04 2.77 -0.67 -2.79 0.00 0.00 177.10 177.16 1mc7 n ASP 65 N -0.78 5.28 0.00 -4.21 -0.08 -1.26 -2.59 116.55 112.91 1mc7 n ASP 65 Ca -0.06 -2.34 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1mc7 n ASP 65 Cb 0.54 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.80 1mc7 n ASP 65 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1mc7 n ASP 66 N 3.16 0.00 0.02 1.67 5.68 -1.26 -5.01 116.55 120.81 1mc7 n ASP 66 Ca 0.46 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.83 1mc7 n ASP 66 Cb 0.49 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.84 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mc7 n ALA 67 N 0.00 1.77 -0.33 2.12 0.00 -1.07 -2.66 120.51 120.34 1mc7 n ALA 67 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1mc7 n ALA 67 Cb 0.00 -1.29 0.19 0.00 0.00 0.00 0.00 19.45 18.35 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 1.14 -0.59 0.00 2.07 -1.95 -0.02 116.25 116.90 1mc7 h VAL 68 Ca 0.00 -0.40 0.17 0.00 0.82 0.00 0.00 66.70 67.29 1mc7 h VAL 68 Cb 0.30 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1mc7 h VAL 68 CO 0.00 0.21 0.91 -0.09 0.02 0.00 0.00 177.57 178.62 1mc7 h ARG 69 N 1.17 0.00 0.00 1.57 2.43 -1.94 0.87 114.38 118.48 1mc7 h ARG 69 Ca 0.39 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.17 1mc7 h ARG 69 Cb 0.06 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1mc7 h ARG 69 CO -0.13 0.00 -2.27 1.55 -1.51 0.00 0.00 179.97 177.61 1mc7 n VAL 70 N -3.18 1.25 -0.29 0.20 3.14 -0.14 -4.29 118.33 115.02 1mc7 n VAL 70 Ca 0.13 -0.32 0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1mc7 n VAL 70 Cb 1.10 -1.80 0.26 0.00 -1.06 0.00 0.00 33.84 32.34 1mc7 n VAL 70 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1mc7 h LEU 71 N -0.80 0.27 -2.71 6.55 7.12 0.32 1.70 115.31 127.75 1mc7 h LEU 71 Ca -0.58 0.14 -0.00 0.00 0.13 0.00 0.00 57.88 57.57 1mc7 h LEU 71 Cb 1.51 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1mc7 h LEU 71 CO -0.35 0.03 -0.00 -0.09 -0.13 0.00 0.00 178.44 177.90 1mc7 h ARG 72 N 0.40 0.00 0.00 1.25 2.43 0.43 0.13 114.38 119.02 1mc7 h ARG 72 Ca 0.50 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.64 1mc7 h ARG 72 Cb 0.89 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1mc7 h ARG 72 CO -0.49 0.00 -0.12 1.05 -1.51 0.00 0.00 179.97 178.89 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.24 -2.92 114.58 116.21 1mc7 h GLU 73 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1mc7 h GLU 73 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1mc7 h GLU 73 CO 0.00 0.12 0.00 -0.89 0.07 0.00 0.00 179.01 178.31 1mc7 n ILE 74 N -3.17 0.00 -0.35 -1.06 2.08 0.45 -0.74 119.36 116.56 1mc7 n ILE 74 Ca 0.02 0.27 0.32 0.00 0.56 0.00 0.00 62.75 63.92 1mc7 n ILE 74 Cb 0.49 -0.94 0.56 0.00 -0.75 0.00 0.00 39.64 39.00 1mc7 n ILE 74 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1mc7 n VAL 75 N 0.00 -0.30 0.13 1.39 0.24 -1.25 0.32 118.33 118.86 1mc7 n VAL 75 Ca 0.00 1.70 -0.07 0.00 -2.04 0.00 0.00 64.34 63.92 1mc7 n VAL 75 Cb 0.00 -2.77 -0.04 0.00 -1.47 0.00 0.00 33.84 29.56 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 -0.53 0.00 -1.34 0.87 -1.59 -3.45 113.55 107.51 1mc7 h SER 76 Ca 0.77 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.37 1mc7 h SER 76 Cb 2.27 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 64.40 1mc7 h SER 76 CO -0.54 -0.27 0.00 0.00 -0.53 0.00 0.00 176.83 175.49 1mc7 n GLN 77 N -3.51 0.22 -1.01 2.24 6.02 0.15 -5.07 117.38 116.41 1mc7 n GLN 77 Ca -0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.58 1mc7 n GLN 77 Cb 0.18 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.49 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 0.05 -0.04 5.09 -2.24 -1.25 -4.60 114.28 111.30 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 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 3.12 0.87 3.80 3.38 0.00 -1.26 -3.69 105.19 111.41 1mc7 n GLY 79 Ca 0.00 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.43 3.82 0.31 1.61 0.04 -1.26 -4.38 135.00 132.71 1mc7 s PRO 80 Ca 0.00 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.17 1mc7 s PRO 80 Cb 0.00 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1mc7 s PRO 80 CO 0.00 -0.42 0.87 0.42 0.04 0.00 0.00 177.00 177.91 1mc7 s ILE 81 N -1.98 4.37 0.00 0.56 1.01 -1.26 -4.28 121.20 119.61 1mc7 s ILE 81 Ca 0.67 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.89 1mc7 s ILE 81 Cb -0.16 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1mc7 s ILE 81 CO 0.20 0.07 0.00 -1.20 0.00 0.00 0.00 174.94 174.01 1mc7 n SER 82 N 0.38 0.00 -3.69 3.58 7.64 -1.26 -4.66 113.62 115.60 1mc7 n SER 82 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1mc7 n SER 82 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.26 -3.81 -3.43 -0.00 -1.26 -0.89 117.00 105.34 1mc7 n LEU 83 Ca 0.00 0.73 -0.12 0.00 -0.00 0.00 0.00 56.01 56.62 1mc7 n LEU 83 Cb 0.00 -0.76 -0.11 0.00 -0.00 0.00 0.00 43.42 42.55 1mc7 n LEU 83 CO 0.00 -3.45 -0.12 -0.89 -0.00 0.00 0.00 177.39 172.93 1mc7 s THR 84 N -1.35 0.02 0.12 1.47 2.01 0.71 -4.05 115.64 114.56 1mc7 s THR 84 Ca 0.51 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.36 1mc7 s THR 84 Cb -0.58 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1mc7 s THR 84 CO 0.53 -0.11 -0.12 0.68 -0.69 0.00 0.00 174.62 174.90 1mc7 s VAL 85 N -0.37 1.19 -0.35 3.82 -7.23 -1.26 -1.80 120.40 114.40 1mc7 s VAL 85 Ca -0.05 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1mc7 s VAL 85 Cb -0.03 -1.51 0.22 0.00 0.56 0.00 0.00 36.38 35.62 1mc7 s VAL 85 CO 0.01 -0.50 2.08 0.00 -0.31 0.00 0.00 175.10 176.38 1mc7 n ALA 86 N 0.46 5.31 -1.06 1.32 0.00 -1.01 -1.55 120.51 123.99 1mc7 n ALA 86 Ca -0.15 -1.89 0.12 0.00 0.00 0.00 0.00 53.44 51.52 1mc7 n ALA 86 Cb 0.58 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 0.31 -2.00 0.00 0.00 3.00 -1.25 -4.96 118.16 113.25 1mc7 n LYS 87 Ca 0.34 1.43 0.00 0.00 -0.00 0.00 0.00 58.31 60.08 1mc7 n LYS 87 Cb 0.58 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 33.09 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 -2.42 0.00 0.00 3.14 0.00 -1.26 -4.60 120.51 115.37 1mc7 n ALA 88 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mc7 n ALA 88 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.65 0.00 -0.00 -1.26 -4.84 117.44 109.69 1mc7 n TRP 89 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.50 56.93 1mc7 n TRP 89 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 1mc7 n TRP 89 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1mc7 n ASP 90 N 3.94 1.73 -2.83 5.87 3.85 -1.26 -4.94 116.55 122.92 1mc7 n ASP 90 Ca 0.00 1.11 0.00 0.00 -0.71 0.00 0.00 54.79 55.19 1mc7 n ASP 90 Cb 0.00 -1.11 0.00 0.00 -1.35 0.00 0.00 41.12 38.66 1mc7 n ASP 90 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1mc7 n PRO 91 N 3.79 0.37 -4.98 0.11 -0.04 -1.26 -4.94 135.00 128.06 1mc7 n PRO 91 Ca 0.23 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1mc7 n PRO 91 Cb 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.43 1mc7 n PRO 91 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mc7 s THR 92 N -0.42 1.58 -0.07 0.52 2.01 -1.26 -5.04 115.64 112.96 1mc7 s THR 92 Ca 0.00 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 60.96 1mc7 s THR 92 Cb 0.00 -1.31 -0.15 0.00 0.01 0.00 0.00 72.50 71.05 1mc7 s THR 92 CO 0.00 0.45 0.72 1.55 -0.69 0.00 0.00 174.62 176.64 1mc7 h PRO 93 N 5.65 -0.16 -2.24 4.92 0.13 -1.96 -3.49 132.00 134.85 1mc7 h PRO 93 Ca -0.38 0.01 0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1mc7 h PRO 93 Cb 1.14 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1mc7 h PRO 93 CO 0.48 0.28 0.52 -0.98 -0.23 0.00 0.00 178.00 178.07 1mc7 s ARG 94 N -2.95 1.08 0.00 0.86 1.70 -1.26 -5.31 118.95 113.07 1mc7 s ARG 94 Ca -0.11 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1mc7 s ARG 94 Cb -0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1mc7 s ARG 94 CO 0.43 -0.49 0.00 0.45 -1.08 0.00 0.00 175.30 174.60