#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 -0.03 -0.48 1.08 1.01 -1.25 -4.87 120.40 115.86 1mc7 s VAL 2 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1mc7 s VAL 2 Cb 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 36.38 36.23 1mc7 s VAL 2 CO 0.00 0.04 0.31 -0.89 0.00 0.00 0.00 175.10 174.56 1mc7 s THR 3 N 0.78 3.72 -1.16 3.92 2.01 -1.26 -4.28 115.64 119.37 1mc7 s THR 3 Ca -0.06 -2.16 -0.10 0.00 0.31 0.00 0.00 61.69 59.69 1mc7 s THR 3 Cb -0.07 -3.48 0.24 0.00 0.01 0.00 0.00 72.50 69.19 1mc7 s THR 3 CO -0.04 -0.76 1.35 0.00 -0.69 0.00 0.00 174.62 174.47 1mc7 n LEU 4 N 4.47 5.67 -1.16 4.42 -0.00 -1.26 -4.96 117.00 124.17 1mc7 n LEU 4 Ca -0.02 -4.84 0.13 0.00 -0.00 0.00 0.00 56.01 51.28 1mc7 n LEU 4 Cb 0.41 -1.49 -0.05 0.00 -0.00 0.00 0.00 43.42 42.29 1mc7 n LEU 4 CO 0.36 1.21 -0.31 -3.20 -0.00 0.00 0.00 177.39 175.45 1mc7 n ASN 5 N 3.53 -6.16 -3.67 1.45 2.85 -1.26 -4.75 115.26 107.26 1mc7 n ASN 5 Ca 0.30 0.69 -0.29 0.00 -0.11 0.00 0.00 54.58 55.18 1mc7 n ASN 5 Cb 0.39 -3.71 -0.12 0.00 1.24 0.00 0.00 39.78 37.58 1mc7 n ASN 5 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1mc7 s MET 6 N -3.03 1.42 -0.12 1.20 -2.45 -1.26 -4.55 119.30 110.50 1mc7 s MET 6 Ca 0.00 -2.29 -0.08 0.00 -1.25 0.00 0.00 55.69 52.06 1mc7 s MET 6 Cb 0.00 -2.32 0.04 0.00 1.25 0.00 0.00 34.83 33.81 1mc7 s MET 6 CO 0.00 -1.24 0.30 -1.21 1.05 0.00 0.00 175.02 173.92 1mc7 s GLU 7 N -0.08 0.30 0.10 4.11 2.02 -1.26 -4.92 118.70 118.98 1mc7 s GLU 7 Ca 0.23 0.54 -0.32 0.00 0.02 0.00 0.00 54.97 55.44 1mc7 s GLU 7 Cb -0.13 0.02 -0.11 0.00 0.10 0.00 0.00 34.13 34.00 1mc7 s GLU 7 CO -0.08 -0.11 1.82 -2.13 0.02 0.00 0.00 175.26 174.78 1mc7 n ARG 8 N 3.72 2.66 -4.68 1.61 3.00 -1.26 -4.90 116.66 116.81 1mc7 n ARG 8 Ca -0.20 0.97 -0.30 0.00 -0.00 0.00 0.00 57.85 58.32 1mc7 n ARG 8 Cb 0.55 -2.85 -0.09 0.00 0.00 0.00 0.00 32.46 30.08 1mc7 n ARG 8 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1mc7 s HIS 9 N 2.77 2.08 0.06 -0.14 3.76 -1.26 -5.09 115.29 117.46 1mc7 s HIS 9 Ca 0.83 -0.89 -0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1mc7 s HIS 9 Cb -0.52 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 1mc7 s HIS 9 CO 0.39 0.25 -0.01 1.58 -0.85 0.00 0.00 174.74 176.10 1mc7 n HIS 10 N -1.11 0.00 -2.10 1.40 -0.00 -1.26 -4.70 115.22 107.46 1mc7 n HIS 10 Ca -0.13 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.68 1mc7 n HIS 10 Cb 0.67 -0.01 0.01 0.00 -0.12 0.00 0.00 29.99 30.53 1mc7 n HIS 10 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1mc7 s PHE 11 N -1.65 2.65 0.02 1.57 0.40 -1.26 -4.76 117.98 114.95 1mc7 s PHE 11 Ca -0.01 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.81 1mc7 s PHE 11 Cb 0.00 -3.51 0.00 0.00 0.51 0.00 0.00 43.02 40.02 1mc7 s PHE 11 CO 0.01 -1.98 0.00 -0.11 0.70 0.00 0.00 175.22 173.84 1mc7 n LEU 12 N -0.77 -0.21 -2.44 -0.37 0.00 -1.26 -5.06 117.00 106.90 1mc7 n LEU 12 Ca 0.09 0.26 -0.03 0.00 0.00 0.00 0.00 56.01 56.33 1mc7 n LEU 12 Cb 0.47 0.43 0.00 0.00 0.00 0.00 0.00 43.42 44.33 1mc7 n LEU 12 CO 0.49 -0.01 0.11 0.61 0.00 0.00 0.00 177.39 178.59 1mc7 n GLY 13 N -1.28 -1.03 3.56 -3.96 0.00 -1.26 -4.66 105.19 96.55 1mc7 n GLY 13 Ca 0.00 0.58 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.42 1.57 0.05 -0.61 -5.25 -1.26 -3.51 121.20 109.77 1mc7 s ILE 14 Ca 0.10 -2.00 -0.27 0.00 -0.99 0.00 0.00 60.65 57.49 1mc7 s ILE 14 Cb -0.03 -2.84 0.07 0.00 2.95 0.00 0.00 42.46 42.62 1mc7 s ILE 14 CO 0.50 0.00 0.65 -0.94 -1.79 0.00 0.00 174.94 173.36 1mc7 s SER 15 N -3.63 -0.61 0.45 4.36 1.04 -1.25 -5.03 113.70 109.03 1mc7 s SER 15 Ca 0.33 0.36 0.06 0.00 0.48 0.00 0.00 55.95 57.18 1mc7 s SER 15 Cb 0.09 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 1mc7 s SER 15 CO 0.16 -0.78 0.18 0.27 0.98 0.00 0.00 173.24 174.05 1mc7 s ILE 16 N -2.44 1.98 0.24 -1.02 -5.25 -1.26 0.20 121.20 113.65 1mc7 s ILE 16 Ca -0.05 -1.73 -0.22 0.00 -0.99 0.00 0.00 60.65 57.66 1mc7 s ILE 16 Cb -0.00 -2.72 0.05 0.00 2.95 0.00 0.00 42.46 42.74 1mc7 s ILE 16 CO -0.01 0.00 0.87 0.54 -1.79 0.00 0.00 174.94 174.55 1mc7 s VAL 17 N -2.68 0.00 0.00 8.37 0.11 0.83 -4.06 120.40 122.97 1mc7 s VAL 17 Ca 0.34 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1mc7 s VAL 17 Cb 0.03 -2.29 0.00 0.00 -1.53 0.00 0.00 36.38 32.59 1mc7 s VAL 17 CO 0.19 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1mc7 n GLY 18 N -0.51 5.21 2.14 6.54 0.00 -1.26 -0.88 105.19 116.43 1mc7 n GLY 18 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.47 1.61 7.27 -1.26 -4.94 117.38 118.59 1mc7 n GLN 19 Ca 0.00 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.26 1mc7 n GLN 19 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 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 -3.12 -8.78 0.03 1.69 7.64 -1.25 -4.93 113.62 104.89 1mc7 n SER 20 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1mc7 n SER 20 Cb 0.00 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 1mc7 n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1mc7 n ASN 21 N -4.34 0.41 0.05 6.43 5.15 -1.26 -5.03 115.26 116.67 1mc7 n ASN 21 Ca -0.02 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1mc7 n ASN 21 Cb 0.68 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 1mc7 n ASN 21 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1mc7 n ASP 22 N -3.18 -0.19 -3.88 1.20 9.92 -1.26 -5.07 116.55 114.09 1mc7 n ASP 22 Ca 0.00 0.17 -0.28 0.00 -0.53 0.00 0.00 54.79 54.14 1mc7 n ASP 22 Cb 0.24 0.28 -0.16 0.00 -0.64 0.00 0.00 41.12 40.84 1mc7 n ASP 22 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1mc7 s ARG 23 N -2.00 1.37 0.00 -1.24 3.00 -1.26 -5.09 118.95 113.72 1mc7 s ARG 23 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 55.73 54.20 1mc7 s ARG 23 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 34.95 32.92 1mc7 s ARG 23 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.30 175.25 1mc7 n GLY 24 N 4.88 0.64 2.45 8.12 0.00 -1.26 -4.94 105.19 115.09 1mc7 n GLY 24 Ca -0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.26 -5.67 0.00 1.61 9.92 -1.26 -4.09 116.55 113.80 1mc7 n ASP 25 Ca 0.00 1.65 0.00 0.00 -0.53 0.00 0.00 54.79 55.91 1mc7 n ASP 25 Cb 0.00 -5.25 0.00 0.00 -0.64 0.00 0.00 41.12 35.23 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 1.78 -1.44 3.42 0.44 0.00 -1.26 -3.94 105.19 104.19 1mc7 n GLY 26 Ca -0.18 0.82 -0.48 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.19 3.65 -0.02 0.00 -1.26 -4.61 105.19 102.75 1mc7 n GLY 27 Ca 0.00 1.07 -0.44 0.00 0.00 0.00 0.00 46.02 46.65 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 7.20 1.80 -4.17 -0.61 2.08 -1.26 -4.92 119.36 119.48 1mc7 n ILE 28 Ca 0.57 -0.45 -0.18 0.00 0.56 0.00 0.00 62.75 63.25 1mc7 n ILE 28 Cb 0.08 -1.30 -0.12 0.00 -0.75 0.00 0.00 39.64 37.55 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 1.18 0.02 1.39 1.13 -0.06 -4.11 117.35 116.00 1mc7 s TYR 29 Ca 0.59 -0.48 -0.37 0.00 -1.41 0.00 0.00 57.07 55.41 1mc7 s TYR 29 Cb -0.64 -0.66 -0.16 0.00 -1.10 0.00 0.00 41.96 39.40 1mc7 s TYR 29 CO 0.59 0.05 1.51 1.51 -2.51 0.00 0.00 175.55 176.70 1mc7 n ILE 30 N 1.23 0.11 -0.12 -3.49 0.13 -0.87 -0.12 119.36 116.22 1mc7 n ILE 30 Ca -0.21 -0.02 -0.08 0.00 -1.10 0.00 0.00 62.75 61.34 1mc7 n ILE 30 Cb 0.54 -1.12 -0.00 0.00 -0.84 0.00 0.00 39.64 38.22 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 5.72 0.53 -4.19 4.50 0.00 0.21 -3.37 103.07 106.48 1mc7 h GLY 31 Ca -0.47 -0.21 0.30 0.00 0.00 0.00 0.00 47.33 46.95 1mc7 h GLY 31 CO 0.85 0.20 0.96 -0.56 0.00 0.00 0.00 176.54 177.99 1mc7 s SER 32 N -5.57 -0.03 -0.22 0.19 0.01 -1.25 -4.66 113.70 102.18 1mc7 s SER 32 Ca -0.13 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 1mc7 s SER 32 Cb 0.10 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 1mc7 s SER 32 CO 0.72 -0.05 -0.01 -0.63 0.41 0.00 0.00 173.24 173.68 1mc7 s ILE 33 N -1.84 3.72 0.47 1.44 1.09 -1.26 -3.88 121.20 120.94 1mc7 s ILE 33 Ca 0.11 -0.38 0.35 0.00 -1.10 0.00 0.00 60.65 59.63 1mc7 s ILE 33 Cb -0.01 -2.69 0.55 0.00 -1.06 0.00 0.00 42.46 39.25 1mc7 s ILE 33 CO -0.04 0.41 1.62 0.24 -0.10 0.00 0.00 174.94 177.07 1mc7 h MET 34 N 7.91 0.05 -2.62 2.79 2.86 -1.83 -3.44 114.93 120.65 1mc7 h MET 34 Ca -0.39 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.12 1mc7 h MET 34 Cb 1.17 -0.01 0.05 0.00 0.06 0.00 0.00 31.60 32.87 1mc7 h MET 34 CO 0.60 0.03 -0.22 1.63 1.06 0.00 0.00 176.91 180.01 1mc7 n LYS 35 N -4.50 -2.52 0.00 1.72 5.02 -1.26 -5.04 118.16 111.58 1mc7 n LYS 35 Ca 0.39 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1mc7 n LYS 35 Cb 1.57 -3.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 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 -0.99 1.26 0.00 0.72 0.00 -1.26 -4.73 105.19 100.18 1mc7 n GLY 36 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.42 0.90 0.00 -0.02 0.00 -1.26 -4.45 105.19 104.78 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 -0.59 0.00 0.24 4.61 0.00 -1.26 -3.41 120.51 120.10 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 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.92 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 0.16 -0.29 0.00 2.07 -1.91 -2.90 116.25 113.39 1mc7 h VAL 39 Ca 0.00 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1mc7 h VAL 39 Cb 0.00 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1mc7 h VAL 39 CO 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 177.57 177.59 1mc7 h ALA 40 N 1.93 0.40 0.00 1.67 0.00 -1.78 -2.25 119.26 119.22 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 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1mc7 h ALA 40 CO 0.01 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1mc7 h ALA 41 N 0.78 1.00 0.06 0.00 0.00 -1.54 -2.93 119.26 116.63 1mc7 h ALA 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mc7 h ALA 41 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1mc7 h ALA 41 CO 0.03 0.00 -0.05 0.22 0.00 0.00 0.00 179.25 179.45 1mc7 h ASP 42 N 0.00 -0.13 0.00 0.00 3.58 -1.20 -3.45 116.42 115.21 1mc7 h ASP 42 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1mc7 h ASP 42 Cb 0.46 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1mc7 h ASP 42 CO 0.00 -0.08 0.00 0.61 -2.88 0.00 0.00 179.24 176.89 1mc7 n GLY 43 N -1.15 -0.83 4.04 -0.78 0.00 -1.12 -4.79 105.19 100.56 1mc7 n GLY 43 Ca -0.07 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.35 -0.92 1.61 3.00 -1.12 -4.80 116.66 114.07 1mc7 n ARG 44 Ca 0.00 0.08 -0.36 0.00 -0.01 0.00 0.00 57.85 57.56 1mc7 n ARG 44 Cb 0.00 -2.22 0.07 0.00 0.00 0.00 0.00 32.46 30.31 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 -4.65 0.00 -4.49 0.55 2.08 -1.26 -5.00 119.36 106.60 1mc7 n ILE 45 Ca -0.12 -0.25 -0.24 0.00 0.56 0.00 0.00 62.75 62.69 1mc7 n ILE 45 Cb 0.54 -0.18 -0.10 0.00 -0.75 0.00 0.00 39.64 39.15 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 -2.44 1.69 0.12 0.38 2.02 -1.26 -4.80 118.70 114.41 1mc7 s GLU 46 Ca 0.43 -1.84 -0.07 0.00 0.02 0.00 0.00 54.97 53.51 1mc7 s GLU 46 Cb -0.07 -1.57 -0.11 0.00 0.10 0.00 0.00 34.13 32.48 1mc7 s GLU 46 CO 0.72 0.17 1.30 -1.00 0.02 0.00 0.00 175.26 176.48 1mc7 h PRO 47 N 2.18 0.54 -0.91 0.39 0.13 -1.83 -3.06 132.00 129.44 1mc7 h PRO 47 Ca -0.41 -0.53 -0.02 0.00 -0.87 0.00 0.00 66.00 64.17 1mc7 h PRO 47 Cb 1.25 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1mc7 h PRO 47 CO 0.66 1.16 0.03 0.41 -0.23 0.00 0.00 178.00 180.03 1mc7 n GLY 48 N 0.87 1.99 0.25 1.56 0.00 -1.26 -2.06 105.19 106.54 1mc7 n GLY 48 Ca -0.07 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 0.88 0.00 -2.09 1.61 1.82 -1.84 -3.42 116.42 113.39 1mc7 h ASP 49 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1mc7 h ASP 49 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1mc7 h ASP 49 CO 0.15 0.13 0.00 0.80 -1.61 0.00 0.00 179.24 178.71 1mc7 n MET 50 N -4.08 0.00 -3.01 0.28 0.00 -1.26 -4.02 117.12 105.04 1mc7 n MET 50 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.70 57.23 1mc7 n MET 50 Cb 0.21 -2.06 -0.02 0.00 0.00 0.00 0.00 33.22 31.36 1mc7 n MET 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1mc7 s LEU 51 N -2.09 5.36 0.00 -0.89 1.98 -1.26 -2.82 118.68 118.97 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 -2.36 0.00 0.00 0.66 0.00 0.00 46.19 44.49 1mc7 s LEU 51 CO 0.00 -0.87 0.48 0.00 -1.89 0.00 0.00 176.35 174.08 1mc7 n LEU 52 N 5.73 0.78 -4.12 -0.68 -0.00 -1.23 -4.18 117.00 113.30 1mc7 n LEU 52 Ca 0.26 -0.78 -0.12 0.00 -0.00 0.00 0.00 56.01 55.36 1mc7 n LEU 52 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.78 1mc7 n LEU 52 CO 0.51 0.20 -0.40 0.00 -0.00 0.00 0.00 177.39 177.69 1mc7 s GLN 53 N -0.23 0.68 0.02 1.47 -2.07 -0.93 -3.20 119.66 115.41 1mc7 s GLN 53 Ca 0.00 -1.01 -0.00 0.00 -1.82 0.00 0.00 55.36 52.53 1mc7 s GLN 53 Cb 0.00 -0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 31.59 1mc7 s GLN 53 CO 0.00 0.03 -0.03 0.08 -1.32 0.00 0.00 175.29 174.06 1mc7 s VAL 54 N -2.28 0.12 0.00 3.63 1.01 -1.13 0.27 120.40 122.02 1mc7 s VAL 54 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1mc7 s VAL 54 Cb -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1mc7 s VAL 54 CO -0.01 -0.55 0.00 -3.20 0.00 0.00 0.00 175.10 171.34 1mc7 n ASN 55 N 1.45 0.00 -0.06 3.32 5.15 0.11 0.11 115.26 125.34 1mc7 n ASN 55 Ca -0.23 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.81 1mc7 n ASN 55 Cb 0.56 0.00 0.32 0.00 -0.53 0.00 0.00 39.78 40.13 1mc7 n ASN 55 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1mc7 n ASP 56 N -1.90 0.19 -4.89 1.20 4.64 -1.26 -4.78 116.55 109.74 1mc7 n ASP 56 Ca 0.00 -1.68 -0.29 0.00 -1.38 0.00 0.00 54.79 51.44 1mc7 n ASP 56 Cb 0.00 -0.02 -0.03 0.00 -1.04 0.00 0.00 41.12 40.03 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 -1.97 4.90 -0.38 5.18 1.01 0.31 -5.06 120.40 124.39 1mc7 s VAL 57 Ca 0.18 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1mc7 s VAL 57 Cb 0.08 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.88 1mc7 s VAL 57 CO 0.14 -0.46 0.38 0.54 0.00 0.00 0.00 175.10 175.70 1mc7 s ASN 58 N -3.24 1.12 -0.29 3.32 2.20 -1.26 -2.85 114.94 113.94 1mc7 s ASN 58 Ca 0.48 -1.68 -0.07 0.00 -0.94 0.00 0.00 52.86 50.65 1mc7 s ASN 58 Cb -0.10 0.54 -0.23 0.00 -2.00 0.00 0.00 41.25 39.46 1mc7 s ASN 58 CO 0.32 -0.25 3.43 0.49 -2.94 0.00 0.00 177.10 178.15 1mc7 n PHE 59 N 4.11 0.44 0.16 1.54 3.72 -1.19 -4.48 117.46 121.76 1mc7 n PHE 59 Ca 0.12 -1.75 -0.13 0.00 -0.05 0.00 0.00 57.45 55.64 1mc7 n PHE 59 Cb 0.45 -1.73 -0.08 0.00 -0.94 0.00 0.00 39.48 37.18 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 3.45 -0.41 0.00 -1.08 4.39 -1.96 -2.61 114.58 116.36 1mc7 h GLU 60 Ca 0.31 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1mc7 h GLU 60 Cb 1.26 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1mc7 h GLU 60 CO 0.52 -0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.38 1mc7 n ASN 61 N -5.12 0.58 0.00 1.42 3.02 -1.26 -3.01 115.26 110.90 1mc7 n ASN 61 Ca -0.09 0.76 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1mc7 n ASN 61 Cb 0.27 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1mc7 n ASN 61 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1mc7 n MET 62 N -2.27 0.00 -3.06 3.52 1.56 -0.99 -4.80 117.12 111.08 1mc7 n MET 62 Ca -0.01 0.34 -0.08 0.00 -0.27 0.00 0.00 57.70 57.69 1mc7 n MET 62 Cb 0.06 -1.17 -0.02 0.00 2.15 0.00 0.00 33.22 34.24 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 -1.53 0.03 -1.58 6.12 2.88 -1.16 -4.65 113.62 113.73 1mc7 n SER 63 Ca 0.00 -0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.18 1mc7 n SER 63 Cb 0.00 -0.36 0.17 0.00 -0.75 0.00 0.00 64.21 63.26 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 -0.32 3.63 -2.41 -3.46 5.15 -1.26 -4.84 115.26 111.76 1mc7 n ASN 64 Ca -0.07 -2.80 -0.01 0.00 -0.60 0.00 0.00 54.58 51.11 1mc7 n ASN 64 Cb 0.15 -0.67 -0.00 0.00 -0.53 0.00 0.00 39.78 38.74 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 -0.13 -1.07 -1.08 1.20 9.92 -1.26 -4.40 116.55 119.73 1mc7 n ASP 65 Ca 0.28 0.46 -0.03 0.00 -0.53 0.00 0.00 54.79 54.97 1mc7 n ASP 65 Cb 1.05 -1.08 -0.01 0.00 -0.64 0.00 0.00 41.12 40.45 1mc7 n ASP 65 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1mc7 n ASP 66 N -1.36 -0.53 0.19 -2.24 5.68 -1.26 -4.87 116.55 112.16 1mc7 n ASP 66 Ca -0.01 -1.11 0.13 0.00 -0.50 0.00 0.00 54.79 53.31 1mc7 n ASP 66 Cb 0.47 0.19 0.70 0.00 -1.14 0.00 0.00 41.12 41.34 1mc7 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mc7 h ALA 67 N 0.12 1.00 -0.81 2.12 0.00 -1.96 -1.16 119.26 118.57 1mc7 h ALA 67 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1mc7 h ALA 67 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1mc7 h ALA 67 CO -0.12 0.00 0.50 0.28 0.00 0.00 0.00 179.25 179.91 1mc7 h VAL 68 N 0.00 1.05 -0.84 0.00 2.07 -1.95 0.47 116.25 117.04 1mc7 h VAL 68 Ca 0.00 -0.32 0.24 0.00 0.82 0.00 0.00 66.70 67.44 1mc7 h VAL 68 Cb 0.01 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 1mc7 h VAL 68 CO 0.00 0.17 1.01 -0.09 0.02 0.00 0.00 177.57 178.68 1mc7 h ARG 69 N 0.93 0.00 0.00 1.57 2.43 -1.63 0.91 114.38 118.59 1mc7 h ARG 69 Ca 0.35 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.29 1mc7 h ARG 69 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1mc7 h ARG 69 CO -0.16 0.00 -1.80 0.28 -1.51 0.00 0.00 179.97 176.78 1mc7 n VAL 70 N -3.33 0.79 -0.32 0.20 0.31 -0.04 -4.41 118.33 111.54 1mc7 n VAL 70 Ca 0.18 -0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1mc7 n VAL 70 Cb 1.28 -1.33 0.28 0.00 -0.91 0.00 0.00 33.84 33.16 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 -0.25 0.59 -1.71 7.52 7.12 0.21 1.43 115.31 130.21 1mc7 h LEU 71 Ca -0.34 0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1mc7 h LEU 71 Cb 1.40 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1mc7 h LEU 71 CO -0.13 0.20 0.00 -0.09 -0.13 0.00 0.00 178.44 178.28 1mc7 h ARG 72 N 0.63 0.00 0.00 1.25 2.43 0.50 -0.43 114.38 118.76 1mc7 h ARG 72 Ca 0.53 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1mc7 h ARG 72 Cb 0.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1mc7 h ARG 72 CO -0.40 0.00 -0.09 1.05 -1.51 0.00 0.00 179.97 179.01 1mc7 h GLU 73 N 0.00 0.00 0.00 0.20 4.11 0.18 -3.12 114.58 115.95 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 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 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 -3.06 0.00 -0.30 -1.06 2.08 -0.17 -1.34 119.36 115.50 1mc7 n ILE 74 Ca 0.04 0.23 0.22 0.00 0.56 0.00 0.00 62.75 63.80 1mc7 n ILE 74 Cb 0.53 -0.98 0.41 0.00 -0.75 0.00 0.00 39.64 38.85 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 -0.38 -0.06 1.39 0.24 -1.25 0.62 118.33 118.88 1mc7 n VAL 75 Ca 0.00 1.92 -0.13 0.00 -2.04 0.00 0.00 64.34 64.09 1mc7 n VAL 75 Cb 0.00 -2.97 -0.09 0.00 -1.47 0.00 0.00 33.84 29.31 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 -1.66 0.00 -1.34 0.87 -1.64 -3.42 113.55 106.36 1mc7 h SER 76 Ca 0.67 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.44 1mc7 h SER 76 Cb 1.63 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 64.25 1mc7 h SER 76 CO -0.77 -0.41 0.00 0.00 -0.53 0.00 0.00 176.83 175.11 1mc7 n GLN 77 N -5.19 0.00 -0.13 2.24 6.02 0.20 -5.08 117.38 115.45 1mc7 n GLN 77 Ca -0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.89 1mc7 n GLN 77 Cb 0.33 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.65 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 -1.13 5.09 -2.24 -1.24 -4.76 114.28 110.00 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 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.73 -4.17 3.79 3.38 0.00 -1.26 -3.91 105.19 102.28 1mc7 n GLY 79 Ca 0.03 -0.54 -0.36 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 -2.05 4.03 0.36 1.61 0.04 -1.26 -4.29 135.00 133.45 1mc7 s PRO 80 Ca 0.00 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 1mc7 s PRO 80 Cb 0.00 -2.39 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 1mc7 s PRO 80 CO 0.00 -0.25 0.99 0.42 0.04 0.00 0.00 177.00 178.20 1mc7 s ILE 81 N -1.76 4.03 0.00 0.56 1.01 -1.26 -4.48 121.20 119.30 1mc7 s ILE 81 Ca 0.61 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.85 1mc7 s ILE 81 Cb -0.20 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1mc7 s ILE 81 CO 0.25 0.04 0.00 -1.20 0.00 0.00 0.00 174.94 174.04 1mc7 n SER 82 N 0.21 0.00 -2.46 3.58 7.64 -1.26 -4.67 113.62 116.66 1mc7 n SER 82 Ca 0.04 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.67 1mc7 n SER 82 Cb 0.50 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 -1.36 -4.00 -3.43 4.32 -1.26 0.10 117.00 111.37 1mc7 n LEU 83 Ca 0.00 0.51 -0.14 0.00 -0.02 0.00 0.00 56.01 56.36 1mc7 n LEU 83 Cb 0.00 -0.51 -0.13 0.00 -1.62 0.00 0.00 43.42 41.16 1mc7 n LEU 83 CO 0.00 -2.18 -0.40 -0.89 -1.22 0.00 0.00 177.39 172.70 1mc7 s THR 84 N -0.84 0.42 0.06 -5.08 2.01 0.77 -3.86 115.64 109.11 1mc7 s THR 84 Ca 0.34 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1mc7 s THR 84 Cb -0.41 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1mc7 s THR 84 CO 0.35 -0.14 -0.06 0.68 -0.69 0.00 0.00 174.62 174.75 1mc7 s VAL 85 N -0.72 0.51 -0.42 3.82 -7.23 -1.26 -2.18 120.40 112.92 1mc7 s VAL 85 Ca -0.04 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1mc7 s VAL 85 Cb -0.06 -0.97 0.24 0.00 0.56 0.00 0.00 36.38 36.16 1mc7 s VAL 85 CO 0.00 -0.60 2.13 0.00 -0.31 0.00 0.00 175.10 176.32 1mc7 n ALA 86 N 0.91 5.60 -0.89 1.32 0.00 -1.13 -1.78 120.51 124.54 1mc7 n ALA 86 Ca -0.19 -2.29 0.11 0.00 0.00 0.00 0.00 53.44 51.07 1mc7 n ALA 86 Cb 0.57 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 0.14 -1.69 -3.17 0.00 4.76 -1.26 -4.98 118.16 111.97 1mc7 n LYS 87 Ca 0.40 1.16 0.04 0.00 -2.87 0.00 0.00 58.31 57.04 1mc7 n LYS 87 Cb 0.58 -2.11 -0.04 0.00 -1.84 0.00 0.00 35.03 31.62 1mc7 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mc7 s ALA 88 N -2.16 -3.31 -0.45 7.82 0.00 -1.26 -4.62 121.76 117.78 1mc7 s ALA 88 Ca 0.00 1.78 -0.44 0.00 0.00 0.00 0.00 51.96 53.30 1mc7 s ALA 88 Cb 0.00 -2.31 -0.18 0.00 0.00 0.00 0.00 23.12 20.63 1mc7 s ALA 88 CO 0.00 -0.98 1.83 0.91 0.00 0.00 0.00 175.76 177.52 1mc7 n TRP 89 N 4.55 1.63 -3.52 0.00 8.01 -1.26 -4.87 117.44 121.97 1mc7 n TRP 89 Ca -0.06 0.85 -0.12 0.00 -1.31 0.00 0.00 57.50 56.86 1mc7 n TRP 89 Cb 0.56 -2.32 -0.04 0.00 -2.01 0.00 0.00 31.31 27.50 1mc7 n TRP 89 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1mc7 s ASP 90 N 4.33 -0.47 -0.51 -0.99 1.01 -1.26 -5.08 116.67 113.69 1mc7 s ASP 90 Ca 1.08 0.34 -0.28 0.00 0.71 0.00 0.00 52.55 54.40 1mc7 s ASP 90 Cb -1.37 0.42 0.01 0.00 1.01 0.00 0.00 42.92 43.00 1mc7 s ASP 90 CO 0.72 -0.56 1.47 -2.16 0.21 0.00 0.00 175.17 174.84 1mc7 s PRO 91 N -1.97 3.32 -0.25 8.23 0.04 -1.26 -4.98 135.00 138.14 1mc7 s PRO 91 Ca -0.02 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 1mc7 s PRO 91 Cb -0.01 -4.12 0.03 0.00 0.04 0.00 0.00 34.50 30.44 1mc7 s PRO 91 CO -0.01 -1.90 -0.07 -0.08 0.04 0.00 0.00 177.00 174.98 1mc7 s THR 92 N 6.17 2.79 -0.06 1.26 -1.32 -1.26 -5.01 115.64 118.21 1mc7 s THR 92 Ca 0.57 -1.06 -0.13 0.00 -1.21 0.00 0.00 61.69 59.86 1mc7 s THR 92 Cb -0.12 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.36 1mc7 s THR 92 CO 0.27 0.20 0.51 1.55 -2.21 0.00 0.00 174.62 174.94 1mc7 h PRO 93 N 7.99 -0.27 -2.91 7.08 0.13 -1.96 -3.49 132.00 138.58 1mc7 h PRO 93 Ca -0.32 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.87 1mc7 h PRO 93 Cb 1.10 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 1mc7 h PRO 93 CO 0.57 -0.03 0.26 -0.98 -0.23 0.00 0.00 178.00 177.59 1mc7 s ARG 94 N -2.76 1.49 0.00 0.86 1.70 -1.26 -5.29 118.95 113.69 1mc7 s ARG 94 Ca -0.07 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 1mc7 s ARG 94 Cb 0.00 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1mc7 s ARG 94 CO 0.25 -0.67 0.00 0.45 -1.08 0.00 0.00 175.30 174.25