#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdv s GLY 8 N 0.00 1.97 0.66 0.27 0.00 -1.26 -0.53 107.32 108.44 1mdv s GLY 8 Ca 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 44.72 42.21 1mdv s GLY 8 CO 0.00 1.00 1.03 1.08 0.00 0.00 0.00 173.10 176.21 1mdv s LEU 9 N 1.23 3.03 -0.22 0.66 1.02 -0.93 -4.70 118.68 118.76 1mdv s LEU 9 Ca 0.06 1.02 0.02 0.00 0.02 0.00 0.00 54.13 55.25 1mdv s LEU 9 Cb -0.23 -3.84 0.04 0.00 0.02 0.00 0.00 46.19 42.18 1mdv s LEU 9 CO -0.02 -1.22 -0.15 -0.75 0.02 0.00 0.00 176.35 174.23 1mdv s LYS 10 N -5.23 2.57 -1.19 1.70 2.20 -1.26 -0.86 119.74 117.67 1mdv s LYS 10 Ca 0.56 -1.11 -0.22 0.00 -0.36 0.00 0.00 55.97 54.84 1mdv s LYS 10 Cb -0.11 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.40 1mdv s LYS 10 CO 0.50 -0.41 1.91 -1.64 -0.36 0.00 0.00 175.35 175.34 1mdv s MET 11 N 1.19 2.69 -0.39 4.03 -1.94 -1.23 -4.76 119.30 118.89 1mdv s MET 11 Ca -0.03 -1.23 0.03 0.00 -1.71 0.00 0.00 55.69 52.75 1mdv s MET 11 Cb -0.17 -5.27 0.16 0.00 2.01 0.00 0.00 34.83 31.56 1mdv s MET 11 CO -0.09 -3.73 0.33 -2.00 -0.01 0.00 0.00 175.02 169.52 1mdv s GLU 12 N 6.20 0.73 0.31 2.03 2.12 -1.24 -4.52 118.70 124.33 1mdv s GLU 12 Ca 0.66 -1.51 0.06 0.00 0.36 0.00 0.00 54.97 54.54 1mdv s GLU 12 Cb -0.00 -1.14 0.50 0.00 0.26 0.00 0.00 34.13 33.75 1mdv s GLU 12 CO 0.12 -1.28 1.75 0.00 -0.54 0.00 0.00 175.26 175.31 1mdv h ALA 13 N 6.37 1.18 0.00 6.30 0.00 -1.86 -3.44 119.26 127.81 1mdv h ALA 13 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1mdv h ALA 13 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1mdv h ALA 13 CO 0.27 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.30 1mdv n THR 14 N -4.11 0.00 -3.44 0.00 -2.24 -1.26 -5.08 114.28 98.16 1mdv n THR 14 Ca -0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 1mdv n THR 14 Cb 0.41 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.32 1mdv n THR 14 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mdv s LYS 15 N -1.53 0.57 -0.30 -0.78 1.02 -1.26 -5.08 119.74 112.39 1mdv s LYS 15 Ca 0.00 -1.24 -0.13 0.00 0.02 0.00 0.00 55.97 54.63 1mdv s LYS 15 Cb 0.00 -1.16 0.18 0.00 -0.52 0.00 0.00 37.83 36.33 1mdv s LYS 15 CO 0.00 -1.21 1.08 1.14 -0.92 0.00 0.00 175.35 175.44 1mdv s GLN 16 N 1.13 0.12 0.30 1.68 -2.07 -1.26 -5.07 119.66 114.49 1mdv s GLN 16 Ca 0.18 0.14 -0.29 0.00 -1.82 0.00 0.00 55.36 53.58 1mdv s GLN 16 Cb -0.21 0.07 -0.10 0.00 -1.09 0.00 0.00 33.01 31.69 1mdv s GLN 16 CO -0.00 -0.21 1.13 -1.25 -1.32 0.00 0.00 175.29 173.64 1mdv s PRO 17 N 2.96 4.55 0.00 9.60 0.04 -1.26 -3.65 135.00 147.24 1mdv s PRO 17 Ca 0.20 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1mdv s PRO 17 Cb -0.03 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1mdv s PRO 17 CO -0.19 0.12 0.00 1.55 0.04 0.00 0.00 177.00 178.51 1mdv n VAL 18 N 1.03 0.00 -3.63 -0.36 3.14 -0.03 -4.47 118.33 114.01 1mdv n VAL 18 Ca -0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 1mdv n VAL 18 Cb 0.45 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.16 1mdv n VAL 18 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1mdv s VAL 19 N -2.00 0.00 -0.26 1.55 0.11 -1.23 -3.55 120.40 115.02 1mdv s VAL 19 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1mdv s VAL 19 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1mdv s VAL 19 CO 0.00 0.00 0.03 -0.22 -3.33 0.00 0.00 175.10 171.58 1mdv s LEU 20 N 0.42 2.22 -0.28 2.54 2.96 -0.04 -4.84 118.68 121.65 1mdv s LEU 20 Ca 0.00 -1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 52.30 1mdv s LEU 20 Cb -0.05 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.72 1mdv s LEU 20 CO -0.02 -0.33 1.09 0.20 -1.32 0.00 0.00 176.35 175.97 1mdv s ASN 21 N 1.57 6.96 0.41 3.68 -0.87 -1.26 -2.20 114.94 123.23 1mdv s ASN 21 Ca 0.02 1.19 0.28 0.00 -1.57 0.00 0.00 52.86 52.79 1mdv s ASN 21 Cb -0.18 -2.54 1.04 0.00 -0.02 0.00 0.00 41.25 39.55 1mdv s ASN 21 CO -0.14 -0.83 1.83 0.45 -2.57 0.00 0.00 177.10 175.84 1mdv h HIS 22 N 8.00 0.00 0.02 2.20 3.86 -1.19 -3.12 115.15 124.93 1mdv h HIS 22 Ca -0.21 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.80 1mdv h HIS 22 Cb 1.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 1mdv h HIS 22 CO 0.81 0.00 -0.94 0.66 0.86 0.00 0.00 177.93 179.32 1mdv h SER 23 N 0.00 0.16 0.54 2.45 4.64 -1.91 -3.17 113.55 116.26 1mdv h SER 23 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1mdv h SER 23 Cb 0.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1mdv h SER 23 CO 0.00 1.01 -0.14 0.35 -0.87 0.00 0.00 176.83 177.18 1mdv n THR 24 N -3.55 0.00 -1.27 2.95 -2.24 -1.18 -3.80 114.28 105.19 1mdv n THR 24 Ca -0.03 -0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1mdv n THR 24 Cb 0.86 -0.16 0.21 0.00 -2.10 0.00 0.00 70.33 69.14 1mdv n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1mdv n HIS 25 N -1.19 0.78 0.26 4.78 8.25 -1.20 -4.81 115.22 122.10 1mdv n HIS 25 Ca 0.11 -1.28 0.10 0.00 -0.26 0.00 0.00 57.72 56.40 1mdv n HIS 25 Cb 0.30 -0.36 0.49 0.00 1.12 0.00 0.00 29.99 31.53 1mdv n HIS 25 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1mdv n LYS 26 N -0.99 0.14 0.00 -0.41 2.85 -1.22 -2.16 118.16 116.38 1mdv n LYS 26 Ca 0.26 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 58.17 1mdv n LYS 26 Cb 0.90 -1.86 0.45 0.00 -0.65 0.00 0.00 35.03 33.87 1mdv n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1mdv n SER 27 N -2.14 1.12 -4.78 -5.58 3.41 -1.26 -4.85 113.62 99.53 1mdv n SER 27 Ca 0.00 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.20 1mdv n SER 27 Cb 0.11 0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1mdv n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mdv s VAL 28 N -2.34 5.15 0.32 -3.33 1.01 -0.92 -5.09 120.40 115.21 1mdv s VAL 28 Ca 0.29 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1mdv s VAL 28 Cb 0.20 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 1mdv s VAL 28 CO 0.46 0.57 1.24 -0.54 0.00 0.00 0.00 175.10 176.82 1mdv s LYS 29 N -0.62 4.43 0.37 2.72 1.02 -1.26 -4.91 119.74 121.49 1mdv s LYS 29 Ca 0.12 2.07 0.11 0.00 0.02 0.00 0.00 55.97 58.29 1mdv s LYS 29 Cb -0.12 -3.09 0.89 0.00 -0.52 0.00 0.00 37.83 35.00 1mdv s LYS 29 CO 0.02 -0.07 1.86 0.00 -0.92 0.00 0.00 175.35 176.24 1mdv h GLY 31 N 0.61 0.00 1.09 0.00 0.00 -1.91 0.15 103.07 103.00 1mdv h GLY 31 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 1mdv h GLY 31 CO -0.22 0.00 0.21 -0.55 0.00 0.00 0.00 176.54 175.98 1mdv h ASP 32 N 0.00 1.07 0.00 0.19 3.32 -1.75 -3.01 116.42 116.24 1mdv h ASP 32 Ca -0.00 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1mdv h ASP 32 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1mdv h ASP 32 CO 0.01 1.00 -0.90 0.00 -1.72 0.00 0.00 179.24 177.63 1mdv n HIS 34 N -4.52 3.94 -1.98 0.00 8.25 0.49 -4.97 115.22 116.43 1mdv n HIS 34 Ca -0.18 -2.94 -0.37 0.00 -0.26 0.00 0.00 57.72 53.97 1mdv n HIS 34 Cb 0.45 -2.48 0.03 0.00 1.12 0.00 0.00 29.99 29.11 1mdv n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1mdv s HIS 35 N 3.05 2.47 -0.28 4.41 -3.43 -1.14 -4.30 115.29 116.07 1mdv s HIS 35 Ca 0.48 1.46 -0.29 0.00 -0.80 0.00 0.00 55.06 55.91 1mdv s HIS 35 Cb 0.09 -3.60 -0.00 0.00 -1.43 0.00 0.00 32.58 27.64 1mdv s HIS 35 CO -0.02 -2.33 1.30 -1.25 -2.00 0.00 0.00 174.74 170.45 1mdv s PRO 36 N -2.96 3.96 -0.08 -0.38 0.04 -1.26 -3.85 135.00 130.46 1mdv s PRO 36 Ca 0.71 1.32 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1mdv s PRO 36 Cb -0.34 -3.87 0.02 0.00 0.04 0.00 0.00 34.50 30.35 1mdv s PRO 36 CO 0.40 -1.07 -0.09 0.54 0.04 0.00 0.00 177.00 176.82 1mdv s VAL 37 N 4.28 1.02 -1.39 -0.36 0.11 -0.38 -4.84 120.40 118.84 1mdv s VAL 37 Ca 0.56 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 59.13 1mdv s VAL 37 Cb -0.18 -0.99 0.11 0.00 -1.53 0.00 0.00 36.38 33.79 1mdv s VAL 37 CO 0.22 0.35 0.58 -3.20 -3.33 0.00 0.00 175.10 169.72 1mdv n ASN 38 N 4.31 -3.37 0.00 3.54 5.15 -1.26 -3.97 115.26 119.66 1mdv n ASN 38 Ca -0.19 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1mdv n ASN 38 Cb 0.51 -2.79 0.00 0.00 -0.53 0.00 0.00 39.78 36.97 1mdv n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mdv n GLY 39 N -1.21 -0.84 0.00 8.20 0.00 -1.26 -5.14 105.19 104.95 1mdv n GLY 39 Ca 0.03 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1mdv n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mdv n LYS 40 N 0.00 0.36 -2.66 1.61 5.02 -1.26 -5.06 118.16 116.18 1mdv n LYS 40 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1mdv n LYS 40 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1mdv n LYS 40 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mdv s GLU 41 N -0.63 3.97 -0.02 1.97 2.02 -1.26 -1.25 118.70 123.50 1mdv s GLU 41 Ca 0.00 0.90 -0.18 0.00 0.02 0.00 0.00 54.97 55.72 1mdv s GLU 41 Cb 0.00 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 1mdv s GLU 41 CO 0.00 -0.99 0.49 0.34 0.02 0.00 0.00 175.26 175.11 1mdv s ASP 42 N 1.83 6.84 -0.30 -0.19 2.15 -1.25 -4.98 116.67 120.77 1mdv s ASP 42 Ca 0.45 1.00 0.10 0.00 0.43 0.00 0.00 52.55 54.53 1mdv s ASP 42 Cb -0.11 -2.30 0.58 0.00 -0.30 0.00 0.00 42.92 40.79 1mdv s ASP 42 CO 0.19 0.18 1.60 -1.22 -0.17 0.00 0.00 175.17 175.75 1mdv n TYR 43 N 2.52 1.65 -2.59 -5.34 4.02 -1.26 -4.69 117.16 111.47 1mdv n TYR 43 Ca -0.10 -1.42 -0.25 0.00 -0.01 0.00 0.00 57.90 56.12 1mdv n TYR 43 Cb 0.52 -0.57 0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1mdv n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1mdv s ARG 44 N -3.12 2.89 0.51 -0.72 0.52 -1.26 -5.04 118.95 112.73 1mdv s ARG 44 Ca 0.48 -0.23 -0.23 0.00 -0.52 0.00 0.00 55.73 55.23 1mdv s ARG 44 Cb 0.41 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 33.44 1mdv s ARG 44 CO 0.06 -0.60 1.22 1.63 0.02 0.00 0.00 175.30 177.64 1mdv n LYS 45 N -2.43 1.58 0.24 3.54 5.02 -1.26 -4.90 118.16 119.96 1mdv n LYS 45 Ca 0.04 0.58 0.09 0.00 -2.02 0.00 0.00 58.31 56.99 1mdv n LYS 45 Cb 0.58 -2.39 0.61 0.00 -0.02 0.00 0.00 35.03 33.81 1mdv n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdv n GLY 47 N -0.85 5.93 3.95 0.00 0.00 -1.26 -3.07 105.19 109.90 1mdv n GLY 47 Ca -0.02 -2.44 -0.25 0.00 0.00 0.00 0.00 46.02 43.31 1mdv n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mdv s THR 48 N -4.87 2.28 0.00 2.61 -4.23 -1.23 -4.75 115.64 105.45 1mdv s THR 48 Ca 0.59 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 1mdv s THR 48 Cb 0.47 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.37 1mdv s THR 48 CO -0.08 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.52 1mdv s ALA 49 N -3.20 3.62 0.00 3.99 0.00 -1.26 -2.07 121.76 122.84 1mdv s ALA 49 Ca 0.63 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1mdv s ALA 49 Cb -0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1mdv s ALA 49 CO 0.44 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1mdv n GLY 50 N 3.85 0.51 0.00 0.00 0.00 -1.26 -5.00 105.19 103.29 1mdv n GLY 50 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1mdv n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdv n HIS 52 N 0.00 3.00 0.84 0.00 8.25 -1.17 -4.74 115.22 121.39 1mdv n HIS 52 Ca 0.00 -3.05 0.09 0.00 -0.26 0.00 0.00 57.72 54.51 1mdv n HIS 52 Cb 0.00 -1.25 0.02 0.00 1.12 0.00 0.00 29.99 29.88 1mdv n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1mdv n ASP 53 N 1.54 2.00 -4.67 0.41 5.68 -1.23 -4.46 116.55 115.82 1mdv n ASP 53 Ca 0.26 -1.50 -0.43 0.00 -0.50 0.00 0.00 54.79 52.62 1mdv n ASP 53 Cb 0.35 0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 40.67 1mdv n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1mdv s SER 54 N -2.04 6.87 -0.42 -1.12 0.15 -1.02 -4.94 113.70 111.18 1mdv s SER 54 Ca 0.17 1.92 0.05 0.00 0.70 0.00 0.00 55.95 58.79 1mdv s SER 54 Cb 0.15 -2.54 0.68 0.00 -1.71 0.00 0.00 66.02 62.61 1mdv s SER 54 CO 0.43 -0.78 1.89 0.23 1.20 0.00 0.00 173.24 176.20 1mdv n MET 55 N 6.39 2.60 -4.52 5.44 2.81 -1.26 -2.59 117.12 126.00 1mdv n MET 55 Ca 0.14 -3.00 -0.33 0.00 -1.81 0.00 0.00 57.70 52.71 1mdv n MET 55 Cb 0.44 -2.18 -0.16 0.00 -0.71 0.00 0.00 33.22 30.61 1mdv n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1mdv s ASP 56 N -1.20 3.28 0.04 7.83 -1.08 -1.26 -5.03 116.67 119.25 1mdv s ASP 56 Ca 0.56 -0.57 0.15 0.00 -0.52 0.00 0.00 52.55 52.16 1mdv s ASP 56 Cb 0.47 -1.49 0.63 0.00 -1.46 0.00 0.00 42.92 41.07 1mdv s ASP 56 CO 0.12 0.06 1.47 2.29 0.52 0.00 0.00 175.17 179.63 1mdv n LYS 57 N 4.18 0.03 0.05 4.34 2.85 -1.26 -2.27 118.16 126.09 1mdv n LYS 57 Ca -0.20 0.30 0.12 0.00 -1.05 0.00 0.00 58.31 57.48 1mdv n LYS 57 Cb 0.51 -1.56 0.25 0.00 -0.65 0.00 0.00 35.03 33.59 1mdv n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1mdv n LYS 58 N -1.62 0.21 -2.45 -1.58 5.02 -1.26 -4.75 118.16 111.74 1mdv n LYS 58 Ca 0.03 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 1mdv n LYS 58 Cb 0.16 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 1mdv n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1mdv s ASP 59 N -3.95 6.35 -0.07 4.39 -1.08 -0.96 -4.88 116.67 116.46 1mdv s ASP 59 Ca 0.08 0.48 0.18 0.00 -0.52 0.00 0.00 52.55 52.78 1mdv s ASP 59 Cb 0.14 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.70 1mdv s ASP 59 CO 0.68 -1.49 1.55 0.29 0.52 0.00 0.00 175.17 176.72 1mdv n LYS 60 N 8.26 3.32 -1.32 4.34 4.76 -1.26 -4.39 118.16 131.88 1mdv n LYS 60 Ca 0.13 -2.73 -0.27 0.00 -2.87 0.00 0.00 58.31 52.57 1mdv n LYS 60 Cb 0.49 -1.73 0.21 0.00 -1.84 0.00 0.00 35.03 32.16 1mdv n LYS 60 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1mdv n SER 61 N 1.10 -1.03 0.00 4.39 3.41 -1.26 -4.90 113.62 115.33 1mdv n SER 61 Ca 0.24 -1.27 0.07 0.00 -0.26 0.00 0.00 58.87 57.65 1mdv n SER 61 Cb 0.76 -0.93 0.31 0.00 -0.26 0.00 0.00 64.21 64.09 1mdv n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mdv n ALA 62 N -4.28 1.67 0.31 7.33 0.00 -1.26 -2.56 120.51 121.72 1mdv n ALA 62 Ca -0.19 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1mdv n ALA 62 Cb 0.53 -1.22 0.17 0.00 0.00 0.00 0.00 19.45 18.93 1mdv n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mdv h LYS 63 N 0.00 0.00 -6.88 0.00 1.79 -1.90 -3.45 116.57 106.13 1mdv h LYS 63 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1mdv h LYS 63 Cb 0.20 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.94 1mdv h LYS 63 CO 0.00 0.00 0.75 0.20 -1.08 0.00 0.00 179.45 179.32 1mdv s GLY 64 N -4.06 2.75 -0.19 3.86 0.00 -1.06 -2.43 107.32 106.20 1mdv s GLY 64 Ca 0.06 1.46 -0.21 0.00 0.00 0.00 0.00 44.72 46.02 1mdv s GLY 64 CO 0.69 2.21 0.27 -1.82 0.00 0.00 0.00 173.10 174.46 1mdv h TYR 65 N 3.67 0.00 -0.35 1.90 3.20 -1.75 -3.25 116.97 120.38 1mdv h TYR 65 Ca -0.49 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.33 1mdv h TYR 65 Cb 1.23 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1mdv h TYR 65 CO 0.56 1.20 0.02 -0.92 -1.64 0.00 0.00 178.16 177.38 1mdv h TYR 66 N -1.00 0.56 0.23 -3.82 5.03 -1.90 -3.14 116.97 112.93 1mdv h TYR 66 Ca -0.24 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.01 1mdv h TYR 66 Cb 1.13 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.25 1mdv h TYR 66 CO 0.10 0.53 -0.11 1.25 -1.32 0.00 0.00 178.16 178.61 1mdv h HIS 67 N 0.52 -0.29 0.00 -3.82 2.76 -1.85 -1.57 115.15 110.90 1mdv h HIS 67 Ca 0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1mdv h HIS 67 Cb 0.30 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1mdv h HIS 67 CO 0.01 -0.15 0.00 -0.39 -1.30 0.00 0.00 177.93 176.10 1mdv h VAL 68 N -0.36 0.00 0.00 5.26 -1.51 -1.58 -1.48 116.25 116.59 1mdv h VAL 68 Ca -0.03 -0.21 -0.28 0.00 -1.23 0.00 0.00 66.70 64.96 1mdv h VAL 68 Cb 0.27 0.91 -0.05 0.00 -2.13 0.00 0.00 31.29 30.29 1mdv h VAL 68 CO 0.05 0.00 -2.22 0.23 -1.23 0.00 0.00 177.57 174.40 1mdv n MET 69 N -2.30 0.86 -0.04 5.19 2.81 -1.15 -4.37 117.12 118.12 1mdv n MET 69 Ca 0.01 -0.04 -0.04 0.00 -1.81 0.00 0.00 57.70 55.82 1mdv n MET 69 Cb 0.20 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.18 1mdv n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1mdv n HIS 70 N -2.60 0.00 -1.52 2.03 -0.00 -0.60 -3.25 115.22 109.28 1mdv n HIS 70 Ca -0.25 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.14 1mdv n HIS 70 Cb 1.00 -0.33 0.07 0.00 -0.00 0.00 0.00 29.99 30.73 1mdv n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1mdv s ASP 71 N -4.12 4.79 -0.14 0.41 1.01 -0.56 -4.60 116.67 113.46 1mdv s ASP 71 Ca -0.06 1.93 0.03 0.00 0.71 0.00 0.00 52.55 55.17 1mdv s ASP 71 Cb 0.02 -2.54 -0.23 0.00 1.01 0.00 0.00 42.92 41.18 1mdv s ASP 71 CO 0.25 -1.84 0.30 0.29 0.21 0.00 0.00 175.17 174.37 1mdv n LYS 72 N -2.93 0.70 -3.08 8.23 5.02 -1.26 -4.33 118.16 120.51 1mdv n LYS 72 Ca 0.10 0.22 -0.45 0.00 -2.02 0.00 0.00 58.31 56.16 1mdv n LYS 72 Cb 0.52 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1mdv n LYS 72 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1mdv s ASN 73 N -6.49 6.33 0.03 4.39 -0.87 -1.26 -4.92 114.94 112.15 1mdv s ASN 73 Ca -0.18 -1.65 -0.11 0.00 -1.57 0.00 0.00 52.86 49.35 1mdv s ASN 73 Cb 0.07 -2.32 0.01 0.00 -0.02 0.00 0.00 41.25 38.99 1mdv s ASN 73 CO 0.76 -1.08 0.23 0.42 -2.57 0.00 0.00 177.10 174.87 1mdv s THR 74 N 2.52 0.09 0.51 1.60 -4.23 -1.26 -5.05 115.64 109.83 1mdv s THR 74 Ca 0.17 -0.77 0.32 0.00 -1.18 0.00 0.00 61.69 60.23 1mdv s THR 74 Cb -0.18 -0.85 0.35 0.00 1.34 0.00 0.00 72.50 73.16 1mdv s THR 74 CO 0.02 -0.43 2.20 0.11 -0.54 0.00 0.00 174.62 175.98 1mdv h LYS 75 N 3.50 0.00 -5.24 3.99 1.57 -2.01 -3.41 116.57 114.96 1mdv h LYS 75 Ca -0.32 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.03 1mdv h LYS 75 Cb 1.19 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.25 1mdv h LYS 75 CO 0.46 0.04 -0.79 -0.06 -0.57 0.00 0.00 179.45 178.54 1mdv s PHE 76 N -4.32 1.17 0.22 -1.35 0.40 -1.26 -5.12 117.98 107.72 1mdv s PHE 76 Ca -0.04 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.65 1mdv s PHE 76 Cb 0.14 -0.70 -0.09 0.00 0.51 0.00 0.00 43.02 42.87 1mdv s PHE 76 CO 0.53 0.02 1.37 0.15 0.70 0.00 0.00 175.22 178.00 1mdv s LYS 77 N -1.05 4.33 0.73 0.44 1.02 -1.26 -5.04 119.74 118.91 1mdv s LYS 77 Ca 0.01 2.17 -0.02 0.00 0.02 0.00 0.00 55.97 58.15 1mdv s LYS 77 Cb -0.07 -3.15 0.12 0.00 -0.52 0.00 0.00 37.83 34.21 1mdv s LYS 77 CO 0.01 -0.33 1.01 -1.54 -0.92 0.00 0.00 175.35 173.58 1mdv s SER 78 N 0.35 4.32 0.12 2.83 1.04 -1.26 -4.86 113.70 116.24 1mdv s SER 78 Ca 0.58 -0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.55 1mdv s SER 78 Cb -0.39 -0.14 -0.06 0.00 0.10 0.00 0.00 66.02 65.54 1mdv s SER 78 CO 0.40 -1.88 1.75 0.00 0.98 0.00 0.00 173.24 174.50 1mdv h VAL 80 N 0.17 1.28 -0.40 0.00 2.07 -1.81 -3.02 116.25 114.55 1mdv h VAL 80 Ca 0.08 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 65.88 1mdv h VAL 80 Cb 0.04 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1mdv h VAL 80 CO -0.07 0.58 -0.02 1.23 0.02 0.00 0.00 177.57 179.30 1mdv h GLY 81 N 0.57 0.37 1.75 2.17 0.00 -1.69 -2.85 103.07 103.40 1mdv h GLY 81 Ca -0.01 0.07 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 1mdv h GLY 81 CO 0.13 -0.11 -0.87 0.00 0.00 0.00 0.00 176.54 175.69 1mdv h HIS 83 N 0.13 0.00 -0.21 0.00 3.86 -1.37 -2.66 115.15 114.91 1mdv h HIS 83 Ca -0.05 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1mdv h HIS 83 Cb 1.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.96 1mdv h HIS 83 CO 0.03 0.09 -0.23 0.28 0.86 0.00 0.00 177.93 178.96 1mdv h VAL 84 N 0.00 1.33 -0.37 2.45 2.07 -1.56 -2.61 116.25 117.56 1mdv h VAL 84 Ca -0.00 -1.41 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 1mdv h VAL 84 Cb 0.24 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1mdv h VAL 84 CO 0.01 0.43 -0.22 -0.33 0.02 0.00 0.00 177.57 177.48 1mdv h GLU 85 N 0.20 0.73 -0.24 1.57 5.08 -1.66 -2.72 114.58 117.55 1mdv h GLU 85 Ca 0.03 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1mdv h GLU 85 Cb 0.79 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1mdv h GLU 85 CO 0.06 0.89 -0.21 0.28 -1.00 0.00 0.00 179.01 179.03 1mdv h VAL 86 N 0.64 1.25 0.00 3.13 2.07 -1.48 -3.11 116.25 118.74 1mdv h VAL 86 Ca 0.09 -1.15 -0.19 0.00 0.82 0.00 0.00 66.70 66.27 1mdv h VAL 86 Cb 0.72 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1mdv h VAL 86 CO 0.06 0.36 -0.97 0.00 0.02 0.00 0.00 177.57 177.04 1mdv h ALA 87 N 1.39 0.47 -0.60 1.67 0.00 -1.36 -3.48 119.26 117.35 1mdv h ALA 87 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1mdv h ALA 87 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mdv h ALA 87 CO 0.04 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1mdv n GLY 88 N 1.34 2.56 1.04 0.00 0.00 -1.03 -1.81 105.19 107.29 1mdv n GLY 88 Ca -0.01 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1mdv n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdv n ALA 89 N 10.56 2.44 -2.66 4.61 0.00 -1.26 -4.83 120.51 129.37 1mdv n ALA 89 Ca 0.00 -0.88 -0.43 0.00 0.00 0.00 0.00 53.44 52.13 1mdv n ALA 89 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1mdv n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mdv s ASP 90 N -1.57 6.33 0.22 0.00 -1.08 -0.75 -4.91 116.67 114.91 1mdv s ASP 90 Ca 0.37 -0.40 -0.05 0.00 -0.52 0.00 0.00 52.55 51.95 1mdv s ASP 90 Cb 0.22 -2.42 0.19 0.00 -1.46 0.00 0.00 42.92 39.45 1mdv s ASP 90 CO 0.31 -1.18 1.65 0.00 0.52 0.00 0.00 175.17 176.47 1mdv h ALA 91 N 9.26 0.90 -0.14 3.66 0.00 -1.88 -1.18 119.26 129.90 1mdv h ALA 91 Ca -0.26 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1mdv h ALA 91 Cb 1.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1mdv h ALA 91 CO 1.07 0.63 -0.25 0.00 0.00 0.00 0.00 179.25 180.70 1mdv h ALA 92 N 1.09 1.33 0.00 0.00 0.00 -1.97 -2.72 119.26 116.98 1mdv h ALA 92 Ca 0.11 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1mdv h ALA 92 Cb 0.67 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1mdv h ALA 92 CO 0.05 0.46 -1.27 -0.22 0.00 0.00 0.00 179.25 178.26 1mdv h LYS 93 N 0.22 0.00 -0.14 0.00 3.64 -1.89 -3.21 116.57 115.19 1mdv h LYS 93 Ca 0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1mdv h LYS 93 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1mdv h LYS 93 CO 0.04 0.73 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.52 1mdv h LYS 94 N 0.00 0.24 -0.02 1.90 3.64 -0.99 -2.52 116.57 118.83 1mdv h LYS 94 Ca -0.13 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1mdv h LYS 94 Cb 1.83 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1mdv h LYS 94 CO 0.10 0.44 0.00 -0.22 -2.27 0.00 0.00 179.45 177.51 1mdv h LYS 95 N 0.22 0.03 0.00 1.90 3.64 -1.54 -2.24 116.57 118.58 1mdv h LYS 95 Ca 0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1mdv h LYS 95 Cb 0.50 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1mdv h LYS 95 CO 0.03 0.30 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.94 1mdv h ASP 96 N -0.25 0.00 -0.00 4.20 3.32 -1.50 -1.89 116.42 120.29 1mdv h ASP 96 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mdv h ASP 96 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1mdv h ASP 96 CO 0.00 0.13 -0.70 0.18 -1.72 0.00 0.00 179.24 177.13 1mdv n LEU 97 N -4.16 1.00 0.00 1.55 4.77 -0.97 -4.68 117.00 114.51 1mdv n LEU 97 Ca -0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1mdv n LEU 97 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1mdv n LEU 97 CO 0.34 0.23 0.06 0.35 -1.33 0.00 0.00 177.39 177.04 1mdv n THR 98 N -1.11 0.00 -2.67 -5.08 -2.24 -0.85 -4.91 114.28 97.42 1mdv n THR 98 Ca 0.04 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 1mdv n THR 98 Cb 0.29 1.60 -0.05 0.00 -2.10 0.00 0.00 70.33 70.06 1mdv n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mdv s GLY 99 N -0.04 2.84 -0.08 3.38 0.00 -0.71 -5.00 107.32 107.70 1mdv s GLY 99 Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 44.72 45.09 1mdv s GLY 99 CO 0.00 1.10 0.99 0.00 0.00 0.00 0.00 173.10 175.19 1mdv s LYS 101 N -3.07 4.20 -0.99 0.00 2.20 -1.26 -3.59 119.74 117.22 1mdv s LYS 101 Ca -0.17 2.31 -0.11 0.00 -0.36 0.00 0.00 55.97 57.64 1mdv s LYS 101 Cb -0.00 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1mdv s LYS 101 CO 0.71 -0.74 0.76 1.63 -0.36 0.00 0.00 175.35 177.34 1mdv n LYS 102 N 5.80 -1.41 -3.82 4.03 5.02 -1.26 -5.00 118.16 121.52 1mdv n LYS 102 Ca 0.16 0.79 -0.35 0.00 -2.02 0.00 0.00 58.31 56.88 1mdv n LYS 102 Cb 0.41 -4.39 -0.05 0.00 -0.02 0.00 0.00 35.03 30.98 1mdv n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mdv s SER 103 N -3.27 6.45 0.19 4.39 0.15 -1.24 -4.99 113.70 115.37 1mdv s SER 103 Ca 0.29 0.50 0.25 0.00 0.70 0.00 0.00 55.95 57.69 1mdv s SER 103 Cb -0.09 -2.07 0.90 0.00 -1.71 0.00 0.00 66.02 63.05 1mdv s SER 103 CO 0.83 0.31 1.74 1.17 1.20 0.00 0.00 173.24 178.49 1mdv n LYS 104 N 1.40 0.19 0.16 5.44 4.81 -1.26 -2.99 118.16 125.91 1mdv n LYS 104 Ca -0.14 0.27 0.01 0.00 -0.87 0.00 0.00 58.31 57.59 1mdv n LYS 104 Cb 0.53 -1.77 0.25 0.00 0.02 0.00 0.00 35.03 34.06 1mdv n LYS 104 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mdv n HIS 106 N -3.76 0.42 1.91 0.00 8.25 -1.16 -3.49 115.22 117.39 1mdv n HIS 106 Ca -0.01 -0.21 0.16 0.00 -0.26 0.00 0.00 57.72 57.40 1mdv n HIS 106 Cb 0.55 0.00 0.87 0.00 1.12 0.00 0.00 29.99 32.53 1mdv n HIS 106 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37