#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndp n ASN 7 N 0.00 0.00 -0.01 6.55 4.13 -1.26 -4.66 115.26 120.01 1ndp n ASN 7 Ca 0.00 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.36 1ndp n ASN 7 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 1ndp n ASN 7 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ndp n LYS 8 N -0.62 0.58 -1.53 3.52 4.76 -1.26 -3.58 118.16 120.02 1ndp n LYS 8 Ca 0.00 -0.13 -0.45 0.00 -2.87 0.00 0.00 58.31 54.86 1ndp n LYS 8 Cb 0.00 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.71 1ndp n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ndp n GLU 9 N -1.99 0.96 -4.22 1.97 2.13 -1.24 -4.52 120.64 113.74 1ndp n GLU 9 Ca -0.02 0.34 -0.19 0.00 0.66 0.00 0.00 57.16 57.95 1ndp n GLU 9 Cb 0.46 -1.63 -0.12 0.00 0.27 0.00 0.00 31.44 30.43 1ndp n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ndp s ARG 10 N -1.47 0.95 0.09 5.31 0.52 -1.26 0.63 118.95 123.72 1ndp s ARG 10 Ca 0.61 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 1ndp s ARG 10 Cb -0.72 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 1ndp s ARG 10 CO 0.59 0.20 -0.11 -0.08 0.02 0.00 0.00 175.30 175.91 1ndp s THR 11 N -1.67 0.98 -0.27 0.02 -1.32 -0.24 -4.68 115.64 108.47 1ndp s THR 11 Ca 0.04 -1.53 -0.10 0.00 -1.21 0.00 0.00 61.69 58.90 1ndp s THR 11 Cb -0.08 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 1ndp s THR 11 CO 0.03 -0.46 0.15 0.12 -2.21 0.00 0.00 174.62 172.25 1ndp s PHE 12 N -2.06 3.18 -0.06 9.09 5.36 -1.26 -2.10 117.98 130.11 1ndp s PHE 12 Ca 0.03 -0.06 0.05 0.00 -0.96 0.00 0.00 56.93 55.98 1ndp s PHE 12 Cb -0.05 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 1ndp s PHE 12 CO 0.01 -0.22 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.83 1ndp s LEU 13 N 1.69 2.31 -0.11 6.12 1.43 0.47 -0.99 118.68 129.60 1ndp s LEU 13 Ca 0.07 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1ndp s LEU 13 Cb -0.16 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1ndp s LEU 13 CO 0.08 0.26 -0.09 0.00 0.23 0.00 0.00 176.35 176.83 1ndp s ALA 14 N -0.23 1.34 -0.48 4.21 0.00 0.22 -1.12 121.76 125.70 1ndp s ALA 14 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 1ndp s ALA 14 Cb -0.13 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1ndp s ALA 14 CO 0.03 -0.30 1.09 0.08 0.00 0.00 0.00 175.76 176.66 1ndp s VAL 15 N 1.47 4.26 1.01 0.00 1.01 0.15 -0.55 120.40 127.75 1ndp s VAL 15 Ca 0.01 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 1ndp s VAL 15 Cb -0.13 -4.57 0.20 0.00 0.00 0.00 0.00 36.38 31.87 1ndp s VAL 15 CO -0.06 -0.99 1.08 -0.54 0.00 0.00 0.00 175.10 174.59 1ndp s LYS 16 N 4.32 0.27 0.39 2.72 1.02 0.14 -1.89 119.74 126.72 1ndp s LYS 16 Ca 0.45 0.98 0.15 0.00 0.02 0.00 0.00 55.97 57.57 1ndp s LYS 16 Cb -0.08 -1.68 1.00 0.00 -0.52 0.00 0.00 37.83 36.55 1ndp s LYS 16 CO 0.30 -2.96 1.84 -1.35 -0.92 0.00 0.00 175.35 172.27 1ndp h PRO 17 N -2.08 0.48 -0.26 -1.68 0.11 -1.85 0.11 132.00 126.82 1ndp h PRO 17 Ca -0.53 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.38 1ndp h PRO 17 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ndp h PRO 17 CO 0.50 0.32 -0.51 0.38 -0.21 0.00 0.00 178.00 178.48 1ndp h ASP 18 N 0.49 0.89 -0.63 -2.05 2.03 -1.88 -0.52 116.42 114.76 1ndp h ASP 18 Ca 0.49 -0.54 -0.02 0.00 -0.73 0.00 0.00 57.03 56.23 1ndp h ASP 18 Cb 1.09 -0.26 -0.03 0.00 -0.83 0.00 0.00 39.33 39.30 1ndp h ASP 18 CO -0.21 1.27 0.32 1.23 -1.03 0.00 0.00 179.24 180.82 1ndp h GLY 19 N 0.55 0.96 0.87 7.15 0.00 -1.01 -1.77 103.07 109.81 1ndp h GLY 19 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1ndp h GLY 19 CO 0.11 0.44 0.04 -2.08 0.00 0.00 0.00 176.54 175.05 1ndp h VAL 20 N 0.86 1.23 0.00 4.60 2.07 -0.87 -2.43 116.25 121.71 1ndp h VAL 20 Ca 0.22 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1ndp h VAL 20 Cb 0.09 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ndp h VAL 20 CO -0.03 0.25 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 1ndp h ALA 21 N 0.86 1.15 -0.01 1.67 0.00 -0.95 -2.60 119.26 119.37 1ndp h ALA 21 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ndp h ALA 21 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ndp h ALA 21 CO 0.01 0.38 -0.00 0.54 0.00 0.00 0.00 179.25 180.17 1ndp n ARG 22 N -3.67 1.34 -2.99 0.00 1.74 -0.68 -4.94 116.66 107.47 1ndp n ARG 22 Ca -0.01 -0.51 -0.12 0.00 -0.77 0.00 0.00 57.85 56.44 1ndp n ARG 22 Cb 0.42 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.41 1ndp n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndp n GLY 23 N 1.10 0.07 1.13 -0.13 0.00 -0.98 -4.96 105.19 101.41 1ndp n GLY 23 Ca 0.21 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1ndp n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ndp n LEU 24 N -2.90 3.93 0.15 0.99 4.77 -0.92 -4.70 117.00 118.32 1ndp n LEU 24 Ca -0.06 -2.37 -0.12 0.00 -0.03 0.00 0.00 56.01 53.43 1ndp n LEU 24 Cb 0.56 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1ndp n LEU 24 CO 0.35 0.78 0.43 0.58 -1.33 0.00 0.00 177.39 178.20 1ndp h VAL 25 N 3.00 0.55 -0.23 4.08 2.07 -1.88 -0.22 116.25 123.62 1ndp h VAL 25 Ca 0.00 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1ndp h VAL 25 Cb 1.18 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1ndp h VAL 25 CO 0.13 0.12 -0.06 1.23 0.02 0.00 0.00 177.57 179.01 1ndp h GLY 26 N -0.91 0.17 0.06 2.17 0.00 -1.98 -1.02 103.07 101.57 1ndp h GLY 26 Ca -0.04 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.46 1ndp h GLY 26 CO 0.07 -0.09 -0.13 -2.09 0.00 0.00 0.00 176.54 174.30 1ndp h GLU 27 N -0.00 -0.03 -0.23 4.80 4.57 -1.86 0.24 114.58 122.07 1ndp h GLU 27 Ca 0.11 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1ndp h GLU 27 Cb 0.18 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1ndp h GLU 27 CO -0.24 -0.02 -0.09 0.82 -1.18 0.00 0.00 179.01 178.30 1ndp h ILE 28 N -0.03 1.30 -0.25 2.32 2.04 -0.23 -2.98 117.51 119.68 1ndp h ILE 28 Ca 0.22 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1ndp h ILE 28 Cb 0.36 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1ndp h ILE 28 CO -0.48 0.35 0.05 0.40 0.00 0.00 0.00 178.15 178.48 1ndp h ILE 29 N 0.19 0.89 -0.87 -0.67 2.04 -0.60 -2.58 117.51 115.91 1ndp h ILE 29 Ca 0.05 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 66.05 1ndp h ILE 29 Cb 0.57 0.73 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 1ndp h ILE 29 CO 0.03 0.03 0.41 0.00 0.00 0.00 0.00 178.15 178.61 1ndp h ALA 30 N 1.18 1.35 -0.37 1.87 0.00 -0.52 0.48 119.26 123.25 1ndp h ALA 30 Ca 0.11 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ndp h ALA 30 Cb 0.11 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1ndp h ALA 30 CO -0.14 -0.23 0.12 0.00 0.00 0.00 0.00 179.25 178.99 1ndp h ARG 31 N 0.50 0.25 -0.26 0.00 3.08 -1.30 0.45 114.38 117.10 1ndp h ARG 31 Ca 0.51 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.37 1ndp h ARG 31 Cb 0.87 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1ndp h ARG 31 CO -0.45 0.17 -0.54 1.88 -1.07 0.00 0.00 179.97 179.96 1ndp h TYR 32 N 0.26 0.97 -0.32 3.04 0.05 -1.38 -2.62 116.97 116.98 1ndp h TYR 32 Ca 0.17 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1ndp h TYR 32 Cb 0.17 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1ndp h TYR 32 CO -0.16 1.14 0.17 0.93 -1.05 0.00 0.00 178.16 179.20 1ndp h GLU 33 N 0.60 0.44 -0.39 4.88 5.08 -0.53 -2.42 114.58 122.25 1ndp h GLU 33 Ca 0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ndp h GLU 33 Cb 1.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1ndp h GLU 33 CO 0.11 0.38 0.04 0.87 -1.00 0.00 0.00 179.01 179.42 1ndp h LYS 34 N 0.39 0.59 0.00 2.33 1.57 -0.86 -2.18 116.57 118.41 1ndp h LYS 34 Ca 0.11 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1ndp h LYS 34 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1ndp h LYS 34 CO -0.02 0.58 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.98 1ndp h LYS 35 N 0.57 0.00 0.00 3.15 1.63 -1.36 -3.47 116.57 117.10 1ndp h LYS 35 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1ndp h LYS 35 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1ndp h LYS 35 CO 0.01 0.24 0.00 0.41 -3.45 0.00 0.00 179.45 176.66 1ndp n GLY 36 N -0.53 0.89 3.78 5.01 0.00 -0.82 -5.09 105.19 108.43 1ndp n GLY 36 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1ndp n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndp s PHE 37 N -2.00 3.40 -0.10 1.61 0.08 -0.93 -4.81 117.98 115.23 1ndp s PHE 37 Ca 0.00 1.68 -0.04 0.00 0.12 0.00 0.00 56.93 58.69 1ndp s PHE 37 Cb 0.00 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1ndp s PHE 37 CO 0.00 -0.41 0.06 0.08 -0.10 0.00 0.00 175.22 174.85 1ndp s VAL 38 N -1.62 4.81 -0.61 -0.44 1.01 0.24 -4.45 120.40 119.34 1ndp s VAL 38 Ca 0.55 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 1ndp s VAL 38 Cb -0.22 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1ndp s VAL 38 CO 0.27 0.60 1.22 -0.22 0.00 0.00 0.00 175.10 176.97 1ndp s LEU 39 N -0.87 3.39 -0.01 3.92 2.96 -1.26 0.74 118.68 127.55 1ndp s LEU 39 Ca 0.13 -0.01 0.22 0.00 -0.22 0.00 0.00 54.13 54.25 1ndp s LEU 39 Cb -0.12 -3.04 -0.25 0.00 0.50 0.00 0.00 46.19 43.28 1ndp s LEU 39 CO 0.03 -1.56 0.73 1.33 -1.32 0.00 0.00 176.35 175.56 1ndp n VAL 40 N 6.61 0.02 -3.70 1.68 0.24 0.68 -4.91 118.33 118.95 1ndp n VAL 40 Ca 0.07 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1ndp n VAL 40 Cb 0.49 0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 33.27 1ndp n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ndp s GLY 41 N -3.70 -0.34 -0.23 7.63 0.00 -1.02 -0.63 107.32 109.04 1ndp s GLY 41 Ca 0.01 1.48 -0.11 0.00 0.00 0.00 0.00 44.72 46.09 1ndp s GLY 41 CO 0.88 1.51 0.54 -2.27 0.00 0.00 0.00 173.10 173.76 1ndp s LEU 42 N 1.01 -0.61 -0.05 0.66 2.96 -1.26 -0.42 118.68 120.98 1ndp s LEU 42 Ca -0.06 1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 54.76 1ndp s LEU 42 Cb -0.06 1.83 0.08 0.00 0.50 0.00 0.00 46.19 48.54 1ndp s LEU 42 CO -0.09 -0.22 0.72 -1.59 -1.32 0.00 0.00 176.35 173.86 1ndp s LYS 43 N 1.85 1.01 -0.21 1.98 -2.85 -0.20 -5.02 119.74 116.29 1ndp s LYS 43 Ca -0.08 0.17 -0.10 0.00 -1.00 0.00 0.00 55.97 54.96 1ndp s LYS 43 Cb -0.08 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 1ndp s LYS 43 CO -0.16 -0.33 0.13 -1.14 0.10 0.00 0.00 175.35 173.95 1ndp s GLN 44 N -1.42 4.11 0.10 1.78 0.74 -1.26 0.02 119.66 123.73 1ndp s GLN 44 Ca -0.08 -0.26 -0.18 0.00 0.05 0.00 0.00 55.36 54.89 1ndp s GLN 44 Cb -0.00 -3.44 0.04 0.00 1.10 0.00 0.00 33.01 30.71 1ndp s GLN 44 CO 0.07 0.20 0.45 -0.48 -0.55 0.00 0.00 175.29 174.98 1ndp s LEU 45 N 0.63 0.19 -0.33 3.68 2.34 -0.50 -4.95 118.68 119.75 1ndp s LEU 45 Ca 0.07 -0.15 -0.12 0.00 0.06 0.00 0.00 54.13 53.99 1ndp s LEU 45 Cb -0.12 1.97 -0.02 0.00 -0.56 0.00 0.00 46.19 47.46 1ndp s LEU 45 CO 0.01 -0.82 0.22 -0.69 -1.06 0.00 0.00 176.35 174.01 1ndp s VAL 46 N -3.37 5.21 0.73 1.48 1.01 -1.26 -0.12 120.40 124.08 1ndp s VAL 46 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1ndp s VAL 46 Cb 0.01 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1ndp s VAL 46 CO -0.09 0.05 1.13 -2.84 0.00 0.00 0.00 175.10 173.35 1ndp s PRO 47 N 1.72 2.35 0.10 2.72 0.02 -1.26 -5.01 135.00 135.63 1ndp s PRO 47 Ca 0.06 1.42 -0.12 0.00 0.02 0.00 0.00 61.00 62.38 1ndp s PRO 47 Cb -0.17 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 1ndp s PRO 47 CO 0.10 -1.61 0.47 0.99 -0.33 0.00 0.00 177.00 176.62 1ndp s THR 48 N -2.44 4.98 0.37 0.99 2.01 -1.26 -4.53 115.64 115.75 1ndp s THR 48 Ca 0.67 0.66 0.04 0.00 0.31 0.00 0.00 61.69 63.37 1ndp s THR 48 Cb -0.22 -3.69 0.27 0.00 0.01 0.00 0.00 72.50 68.88 1ndp s THR 48 CO 0.48 0.30 2.00 0.50 -0.69 0.00 0.00 174.62 177.21 1ndp h LYS 49 N 3.76 0.75 -0.19 4.92 3.64 -1.96 0.85 116.57 128.34 1ndp h LYS 49 Ca -0.49 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.79 1ndp h LYS 49 Cb 1.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1ndp h LYS 49 CO 0.66 0.49 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.80 1ndp h ASP 50 N 0.77 0.40 0.61 4.20 3.32 -1.98 0.69 116.42 124.44 1ndp h ASP 50 Ca 0.25 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1ndp h ASP 50 Cb 0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1ndp h ASP 50 CO -0.06 0.72 -0.32 0.25 -1.72 0.00 0.00 179.24 178.10 1ndp h LEU 51 N 0.09 -0.79 -0.74 1.55 5.85 -1.85 -1.45 115.31 117.97 1ndp h LEU 51 Ca 0.04 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1ndp h LEU 51 Cb 0.57 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.69 1ndp h LEU 51 CO 0.03 -0.53 0.09 0.00 -0.34 0.00 0.00 178.44 177.68 1ndp h ALA 52 N -0.50 0.87 -0.07 1.25 0.00 -0.87 0.67 119.26 120.62 1ndp h ALA 52 Ca -0.08 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1ndp h ALA 52 Cb 0.68 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1ndp h ALA 52 CO 0.12 -0.40 -0.65 0.93 0.00 0.00 0.00 179.25 179.25 1ndp h GLU 53 N 0.17 0.27 -0.10 0.00 5.08 -0.61 -1.92 114.58 117.46 1ndp h GLU 53 Ca 0.42 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1ndp h GLU 53 Cb 0.74 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1ndp h GLU 53 CO -0.59 0.82 -0.48 0.66 -1.00 0.00 0.00 179.01 178.42 1ndp h SER 54 N 0.19 0.60 -0.65 1.42 4.64 -0.00 -1.49 113.55 118.25 1ndp h SER 54 Ca -0.01 -0.64 0.10 0.00 -0.47 0.00 0.00 61.79 60.77 1ndp h SER 54 Cb 1.18 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 63.02 1ndp h SER 54 CO 0.10 1.14 0.27 -0.74 -0.87 0.00 0.00 176.83 176.73 1ndp h HIS 55 N 0.10 0.47 -0.63 4.77 -0.00 0.30 -1.86 115.15 118.31 1ndp h HIS 55 Ca -0.03 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 1ndp h HIS 55 Cb 1.12 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 28.37 1ndp h HIS 55 CO 0.11 0.13 0.09 0.66 -0.00 0.00 0.00 177.93 178.92 1ndp n TYR 56 N -4.96 2.20 -0.33 5.26 4.01 -0.73 -4.69 117.16 117.92 1ndp n TYR 56 Ca 0.10 -0.90 0.20 0.00 -0.16 0.00 0.00 57.90 57.14 1ndp n TYR 56 Cb 0.29 -0.57 0.41 0.00 -0.31 0.00 0.00 39.34 39.16 1ndp n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndp h ALA 57 N 3.51 1.76 0.00 -0.72 0.00 -0.38 -0.61 119.26 122.82 1ndp h ALA 57 Ca 0.09 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ndp h ALA 57 Cb 2.10 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 1ndp h ALA 57 CO 0.57 -0.48 -0.01 1.05 0.00 0.00 0.00 179.25 180.38 1ndp h GLU 58 N 0.35 0.00 -0.65 0.00 4.11 -1.83 -2.56 114.58 114.00 1ndp h GLU 58 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.10 1ndp h GLU 58 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1ndp h GLU 58 CO -0.59 0.01 0.00 0.72 0.07 0.00 0.00 179.01 179.22 1ndp n HIS 59 N -3.59 0.86 0.24 2.06 8.25 -0.24 -4.61 115.22 118.20 1ndp n HIS 59 Ca -0.03 -0.43 0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1ndp n HIS 59 Cb 0.09 0.00 0.81 0.00 1.12 0.00 0.00 29.99 32.01 1ndp n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1ndp h LYS 60 N 4.35 0.00 -0.08 -0.41 2.10 -1.51 -1.27 116.57 119.75 1ndp h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ndp h LYS 60 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1ndp h LYS 60 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 1ndp n GLU 61 N -4.03 1.70 -3.75 0.07 4.71 -1.26 -4.91 120.64 113.16 1ndp n GLU 61 Ca -0.01 -1.03 -0.32 0.00 -0.01 0.00 0.00 57.16 55.79 1ndp n GLU 61 Cb 0.18 -1.44 -0.05 0.00 -1.01 0.00 0.00 31.44 29.12 1ndp n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1ndp s ARG 62 N -1.90 3.57 0.32 3.49 1.81 -0.48 -5.03 118.95 120.74 1ndp s ARG 62 Ca 0.36 -0.16 0.06 0.00 -1.72 0.00 0.00 55.73 54.27 1ndp s ARG 62 Cb 0.19 -2.97 0.74 0.00 -0.45 0.00 0.00 34.95 32.47 1ndp s ARG 62 CO 0.30 0.56 1.83 -1.00 -0.68 0.00 0.00 175.30 176.31 1ndp h PRO 63 N 3.25 0.76 -0.01 3.54 0.13 -1.91 -2.09 132.00 135.68 1ndp h PRO 63 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1ndp h PRO 63 Cb 1.17 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ndp h PRO 63 CO 0.71 0.50 -0.09 1.97 -0.23 0.00 0.00 178.00 180.86 1ndp n PHE 64 N -4.63 0.00 -0.31 1.56 1.16 -1.26 -4.39 117.46 109.59 1ndp n PHE 64 Ca 0.20 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.73 1ndp n PHE 64 Cb 0.49 -0.13 -0.01 0.00 -1.61 0.00 0.00 39.48 38.22 1ndp n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1ndp h PHE 65 N 0.80 -1.24 -0.60 2.97 3.57 -1.56 -0.93 116.94 119.95 1ndp h PHE 65 Ca 0.00 0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.68 1ndp h PHE 65 Cb 0.34 0.66 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 1ndp h PHE 65 CO 0.00 -0.40 0.24 0.78 -2.23 0.00 0.00 178.31 176.70 1ndp h GLY 66 N -0.10 0.84 0.91 2.40 0.00 -1.81 -0.87 103.07 104.45 1ndp h GLY 66 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1ndp h GLY 66 CO -0.84 0.01 0.01 -1.33 0.00 0.00 0.00 176.54 174.39 1ndp h GLY 67 N 0.44 0.66 0.30 4.60 0.00 -1.73 0.34 103.07 107.67 1ndp h GLY 67 Ca 0.29 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1ndp h GLY 67 CO -0.28 0.44 -0.33 -2.00 0.00 0.00 0.00 176.54 174.36 1ndp h LEU 68 N 0.43 -1.00 -0.34 3.11 5.85 -0.72 1.32 115.31 123.95 1ndp h LEU 68 Ca 0.10 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1ndp h LEU 68 Cb 0.43 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1ndp h LEU 68 CO 0.02 -0.40 -0.10 0.58 -0.34 0.00 0.00 178.44 178.20 1ndp h VAL 69 N -0.50 1.28 -0.29 1.05 2.07 -1.05 -1.18 116.25 117.63 1ndp h VAL 69 Ca 0.06 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1ndp h VAL 69 Cb 0.58 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ndp h VAL 69 CO -0.26 0.38 0.19 -1.28 0.02 0.00 0.00 177.57 176.62 1ndp h SER 70 N 0.46 0.34 0.84 0.57 0.87 -0.04 -2.57 113.55 114.03 1ndp h SER 70 Ca 0.09 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1ndp h SER 70 Cb 0.61 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1ndp h SER 70 CO 0.04 0.26 -0.40 0.15 -0.53 0.00 0.00 176.83 176.35 1ndp h PHE 71 N 0.39 -1.04 -0.90 2.24 3.57 0.19 -2.66 116.94 118.72 1ndp h PHE 71 Ca 0.11 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.81 1ndp h PHE 71 Cb -0.03 0.35 -0.13 0.00 2.79 0.00 0.00 35.95 38.93 1ndp h PHE 71 CO -0.05 -0.64 0.37 0.97 -2.23 0.00 0.00 178.31 176.73 1ndp h ILE 72 N -1.16 0.42 0.00 1.41 6.09 -1.20 0.10 117.51 123.18 1ndp h ILE 72 Ca -0.12 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1ndp h ILE 72 Cb 0.87 0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.20 1ndp h ILE 72 CO 0.19 0.06 0.00 0.35 -3.07 0.00 0.00 178.15 175.68 1ndp n THR 73 N -5.09 0.39 0.36 2.19 -2.24 -0.97 -3.99 114.28 104.94 1ndp n THR 73 Ca 0.23 -0.07 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 1ndp n THR 73 Cb 0.69 -0.64 0.53 0.00 -2.10 0.00 0.00 70.33 68.81 1ndp n THR 73 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ndp h SER 74 N 0.00 0.00 -1.87 3.42 4.64 -0.42 -3.43 113.55 115.90 1ndp h SER 74 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1ndp h SER 74 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1ndp h SER 74 CO 0.00 0.00 0.27 0.61 -0.87 0.00 0.00 176.83 176.84 1ndp n GLY 75 N 0.25 1.10 3.75 -0.77 0.00 -1.26 -5.12 105.19 103.14 1ndp n GLY 75 Ca 0.02 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1ndp n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ndp n PRO 76 N -0.37 2.26 -4.29 1.61 -0.02 -1.26 -4.35 135.00 128.58 1ndp n PRO 76 Ca -0.03 0.80 -0.24 0.00 -2.02 0.00 0.00 63.50 62.02 1ndp n PRO 76 Cb 0.34 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.12 1ndp n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ndp s VAL 77 N -1.17 1.73 -0.23 -1.45 1.01 0.83 -3.66 120.40 117.45 1ndp s VAL 77 Ca 0.59 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1ndp s VAL 77 Cb -0.47 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1ndp s VAL 77 CO 0.59 -0.08 -0.12 0.68 0.00 0.00 0.00 175.10 176.18 1ndp s VAL 78 N -1.23 2.01 -0.08 2.92 -7.23 -0.79 -1.41 120.40 114.59 1ndp s VAL 78 Ca 0.07 -1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 1ndp s VAL 78 Cb -0.10 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1ndp s VAL 78 CO 0.04 0.09 0.21 0.00 -0.31 0.00 0.00 175.10 175.14 1ndp s ALA 79 N 1.21 3.84 0.05 1.32 0.00 0.10 0.34 121.76 128.62 1ndp s ALA 79 Ca -0.05 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.12 1ndp s ALA 79 Cb -0.18 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 20.93 1ndp s ALA 79 CO -0.07 0.59 0.57 0.00 0.00 0.00 0.00 175.76 176.86 1ndp s MET 80 N -1.12 1.09 -0.05 0.00 0.23 -0.28 -1.04 119.30 118.14 1ndp s MET 80 Ca 0.18 -0.18 0.03 0.00 -1.03 0.00 0.00 55.69 54.69 1ndp s MET 80 Cb -0.13 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.68 1ndp s MET 80 CO 0.07 -0.41 -0.12 0.54 -2.03 0.00 0.00 175.02 173.08 1ndp s VAL 81 N -2.46 1.04 0.05 5.16 0.11 0.44 -0.40 120.40 124.34 1ndp s VAL 81 Ca -0.05 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 1ndp s VAL 81 Cb -0.01 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1ndp s VAL 81 CO -0.02 0.32 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.51 1ndp s PHE 82 N 0.45 2.48 -0.01 1.54 0.40 -0.89 -0.23 117.98 121.71 1ndp s PHE 82 Ca -0.09 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1ndp s PHE 82 Cb -0.13 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 1ndp s PHE 82 CO 0.02 0.24 -0.26 -2.00 0.70 0.00 0.00 175.22 173.92 1ndp s GLU 83 N -1.49 2.08 0.00 0.44 2.12 0.23 -1.08 118.70 121.00 1ndp s GLU 83 Ca 0.14 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1ndp s GLU 83 Cb -0.10 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.25 1ndp s GLU 83 CO 0.05 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 1ndp n GLY 84 N 2.37 1.68 3.69 -1.50 0.00 0.21 -0.59 105.19 111.04 1ndp n GLY 84 Ca -0.16 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1ndp n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ndp s LYS 85 N -2.00 4.14 -1.66 1.61 2.20 -1.26 -2.68 119.74 120.09 1ndp s LYS 85 Ca 0.00 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 1ndp s LYS 85 Cb 0.00 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1ndp s LYS 85 CO 0.00 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 1ndp n GLY 86 N 4.21 1.41 0.39 5.54 0.00 -1.26 -4.82 105.19 110.64 1ndp n GLY 86 Ca 0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.36 1ndp n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ndp h VAL 87 N 0.00 0.69 0.46 1.61 3.04 -1.80 -1.74 116.25 118.51 1ndp h VAL 87 Ca -0.33 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 1ndp h VAL 87 Cb 1.04 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1ndp h VAL 87 CO 0.47 0.10 -0.32 0.58 -1.01 0.00 0.00 177.57 177.39 1ndp h VAL 88 N 0.54 0.35 -0.45 1.51 2.07 -1.86 0.43 116.25 118.83 1ndp h VAL 88 Ca 0.51 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.89 1ndp h VAL 88 Cb 1.08 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ndp h VAL 88 CO -0.25 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.08 1ndp h ALA 89 N -0.30 0.64 -0.36 1.67 0.00 -1.80 -3.07 119.26 116.03 1ndp h ALA 89 Ca -0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1ndp h ALA 89 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ndp h ALA 89 CO 0.03 0.67 0.15 1.03 0.00 0.00 0.00 179.25 181.12 1ndp h SER 90 N 0.83 0.50 0.49 0.00 0.87 -1.28 -2.01 113.55 112.95 1ndp h SER 90 Ca 0.09 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1ndp h SER 90 Cb 0.85 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1ndp h SER 90 CO 0.08 0.53 -0.21 0.00 -0.53 0.00 0.00 176.83 176.69 1ndp h ALA 91 N 0.99 1.25 0.13 6.23 0.00 -0.93 0.15 119.26 127.08 1ndp h ALA 91 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ndp h ALA 91 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ndp h ALA 91 CO -0.01 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.44 1ndp h ARG 92 N 0.00 -0.17 -0.55 0.00 2.47 -1.37 -1.45 114.38 113.32 1ndp h ARG 92 Ca -0.00 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.79 1ndp h ARG 92 Cb 0.52 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 1ndp h ARG 92 CO 0.03 0.23 0.25 1.25 0.56 0.00 0.00 179.97 182.29 1ndp h LEU 93 N -0.61 0.34 -2.10 3.04 5.85 -1.00 0.32 115.31 121.15 1ndp h LEU 93 Ca -0.02 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ndp h LEU 93 Cb 0.47 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ndp h LEU 93 CO 0.03 0.23 -0.06 0.24 -0.34 0.00 0.00 178.44 178.53 1ndp h MET 94 N 0.48 0.00 0.08 1.25 2.86 -0.57 -3.03 114.93 116.00 1ndp h MET 94 Ca 0.25 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.73 1ndp h MET 94 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1ndp h MET 94 CO -0.20 0.06 -0.78 0.82 1.06 0.00 0.00 176.91 177.87 1ndp h ILE 95 N 0.00 1.41 0.00 -1.22 2.04 0.12 -0.46 117.51 119.41 1ndp h ILE 95 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1ndp h ILE 95 Cb 0.28 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1ndp h ILE 95 CO 0.01 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.41 1ndp n GLY 96 N 1.64 0.28 3.89 5.37 0.00 -0.40 0.51 105.19 116.49 1ndp n GLY 96 Ca -0.17 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.51 1ndp n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ndp s VAL 97 N 0.00 2.15 0.20 1.61 -7.23 -1.26 -4.67 120.40 111.20 1ndp s VAL 97 Ca 0.00 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 1ndp s VAL 97 Cb 0.00 -2.55 0.19 0.00 0.56 0.00 0.00 36.38 34.58 1ndp s VAL 97 CO 0.00 0.00 1.63 0.74 -0.31 0.00 0.00 175.10 177.16 1ndp h THR 98 N 0.85 0.40 -3.35 5.32 2.02 -1.99 -3.37 112.91 112.80 1ndp h THR 98 Ca -0.38 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.21 1ndp h THR 98 Cb 1.28 0.40 -0.10 0.00 -1.74 0.00 0.00 68.15 68.00 1ndp h THR 98 CO 0.57 0.00 0.75 0.21 0.37 0.00 0.00 175.52 177.41 1ndp s ASN 99 N -5.22 6.44 0.41 4.18 3.04 -1.26 -4.62 114.94 117.91 1ndp s ASN 99 Ca -0.14 -0.01 0.18 0.00 0.04 0.00 0.00 52.86 52.93 1ndp s ASN 99 Cb 0.18 -2.49 1.10 0.00 -1.54 0.00 0.00 41.25 38.49 1ndp s ASN 99 CO 0.73 -1.28 1.80 -0.65 -3.04 0.00 0.00 177.10 174.65 1ndp h PRO 100 N 9.34 0.39 0.00 0.43 0.11 -1.83 -1.78 132.00 138.65 1ndp h PRO 100 Ca -0.25 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 1ndp h PRO 100 Cb 1.07 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ndp h PRO 100 CO 1.11 0.26 -0.28 -0.07 -0.21 0.00 0.00 178.00 178.81 1ndp h LEU 101 N 0.40 0.00 0.00 2.35 3.38 -1.75 -2.61 115.31 117.08 1ndp h LEU 101 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1ndp h LEU 101 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ndp h LEU 101 CO -0.25 0.28 -0.77 0.00 0.09 0.00 0.00 178.44 177.78 1ndp n ALA 102 N -2.42 3.73 -2.56 1.53 0.00 -0.69 -4.90 120.51 115.18 1ndp n ALA 102 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1ndp n ALA 102 Cb 0.35 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1ndp n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ndp s SER 103 N -3.35 7.30 0.42 0.00 0.01 -0.98 -4.88 113.70 112.21 1ndp s SER 103 Ca 0.08 1.79 -0.26 0.00 1.31 0.00 0.00 55.95 58.87 1ndp s SER 103 Cb 0.16 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 1ndp s SER 103 CO 0.77 -0.30 1.33 0.00 0.41 0.00 0.00 173.24 175.46 1ndp s ALA 104 N 0.88 3.25 0.33 1.44 0.00 -1.26 -3.92 121.76 122.49 1ndp s ALA 104 Ca 0.53 1.29 -0.28 0.00 0.00 0.00 0.00 51.96 53.50 1ndp s ALA 104 Cb -0.24 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.25 1ndp s ALA 104 CO 0.29 -0.92 1.31 -0.35 0.00 0.00 0.00 175.76 176.09 1ndp n PRO 105 N 0.04 2.15 0.00 0.00 -0.04 -1.26 -1.04 135.00 134.85 1ndp n PRO 105 Ca 0.04 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1ndp n PRO 105 Cb 0.43 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1ndp n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ndp n GLY 106 N 0.89 2.31 3.90 0.55 0.00 -1.26 -4.96 105.19 106.62 1ndp n GLY 106 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1ndp n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ndp s SER 107 N 0.20 5.20 0.00 1.61 1.04 -0.21 -4.91 113.70 116.62 1ndp s SER 107 Ca 0.00 0.86 -0.24 0.00 0.48 0.00 0.00 55.95 57.04 1ndp s SER 107 Cb 0.00 -1.62 -0.16 0.00 0.10 0.00 0.00 66.02 64.34 1ndp s SER 107 CO 0.00 -1.43 1.16 0.40 0.98 0.00 0.00 173.24 174.35 1ndp h ILE 108 N -0.61 0.59 -0.75 -1.02 2.04 -0.75 -1.73 117.51 115.28 1ndp h ILE 108 Ca -0.45 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1ndp h ILE 108 Cb 1.28 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1ndp h ILE 108 CO 0.63 0.11 0.39 0.03 0.00 0.00 0.00 178.15 179.31 1ndp h ARG 109 N -0.84 1.05 -0.96 2.37 3.08 -0.21 -1.04 114.38 117.83 1ndp h ARG 109 Ca -0.05 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 59.94 1ndp h ARG 109 Cb 0.53 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 1ndp h ARG 109 CO 0.08 0.80 0.62 0.78 -1.07 0.00 0.00 179.97 181.18 1ndp h GLY 110 N 1.04 1.45 1.43 0.04 0.00 -1.66 -0.83 103.07 104.53 1ndp h GLY 110 Ca 0.26 -0.44 -0.28 0.00 0.00 0.00 0.00 47.33 46.87 1ndp h GLY 110 CO -0.04 0.29 -1.40 -0.55 0.00 0.00 0.00 176.54 174.85 1ndp h ASP 111 N 1.08 0.29 0.00 0.19 3.32 -1.07 -3.42 116.42 116.81 1ndp h ASP 111 Ca 0.43 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ndp h ASP 111 Cb 0.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ndp h ASP 111 CO -0.18 1.30 0.00 0.49 -1.72 0.00 0.00 179.24 179.14 1ndp n PHE 112 N -3.41 0.00 -4.37 4.55 3.72 -0.42 -5.06 117.46 112.48 1ndp n PHE 112 Ca -0.12 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.02 1ndp n PHE 112 Cb 1.02 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.46 1ndp n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ndp s GLY 113 N -0.67 1.74 0.00 1.37 0.00 -0.33 -5.01 107.32 104.42 1ndp s GLY 113 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1ndp s GLY 113 CO 0.00 -1.67 0.00 -0.62 0.00 0.00 0.00 173.10 170.81 1ndp n VAL 114 N -0.15 0.00 -5.26 1.40 0.31 -1.26 -4.12 118.33 109.26 1ndp n VAL 114 Ca -0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.92 1ndp n VAL 114 Cb 0.57 -0.67 -0.16 0.00 -0.91 0.00 0.00 33.84 32.67 1ndp n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ndp s ASP 115 N -3.00 3.13 0.22 4.52 2.15 -1.26 -4.31 116.67 118.13 1ndp s ASP 115 Ca 0.00 -0.47 -0.10 0.00 0.43 0.00 0.00 52.55 52.42 1ndp s ASP 115 Cb 0.00 -0.59 0.33 0.00 -0.30 0.00 0.00 42.92 42.35 1ndp s ASP 115 CO 0.00 0.29 1.67 0.58 -0.17 0.00 0.00 175.17 177.54 1ndp h VAL 116 N 4.73 0.51 0.00 1.11 2.07 -1.96 -0.68 116.25 122.03 1ndp h VAL 116 Ca -0.38 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ndp h VAL 116 Cb 1.15 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ndp h VAL 116 CO 0.47 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1ndp n GLY 117 N -1.36 -1.28 2.60 2.17 0.00 -1.26 -3.22 105.19 102.85 1ndp n GLY 117 Ca 0.10 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1ndp n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ndp n ARG 118 N -1.89 2.86 -1.19 1.61 5.12 -0.29 -4.92 116.66 117.96 1ndp n ARG 118 Ca 0.04 -4.33 -0.27 0.00 -1.93 0.00 0.00 57.85 51.35 1ndp n ARG 118 Cb 0.25 -2.06 0.11 0.00 -1.16 0.00 0.00 32.46 29.61 1ndp n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ndp n ASN 119 N -0.30 5.87 0.00 0.55 0.23 -1.02 -4.39 115.26 116.20 1ndp n ASN 119 Ca 0.31 -3.57 0.00 0.00 -0.53 0.00 0.00 54.58 50.79 1ndp n ASN 119 Cb 0.61 -0.92 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 1ndp n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ndp n ILE 120 N -0.81 0.00 -4.08 1.53 -0.00 -1.26 -4.77 119.36 109.97 1ndp n ILE 120 Ca 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 63.21 1ndp n ILE 120 Cb 1.03 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.57 1ndp n ILE 120 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 1ndp s ILE 121 N 0.00 0.41 -0.07 1.39 2.07 -1.26 0.23 121.20 123.96 1ndp s ILE 121 Ca 0.00 -1.43 0.05 0.00 -1.41 0.00 0.00 60.65 57.86 1ndp s ILE 121 Cb 0.00 -1.02 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 1ndp s ILE 121 CO 0.00 -0.68 -0.22 -2.28 -1.91 0.00 0.00 174.94 169.85 1ndp s HIS 122 N -2.57 2.53 -0.02 3.50 5.65 0.28 -4.91 115.29 119.76 1ndp s HIS 122 Ca -0.02 -0.72 0.02 0.00 0.25 0.00 0.00 55.06 54.59 1ndp s HIS 122 Cb -0.02 -1.65 0.00 0.00 -1.18 0.00 0.00 32.58 29.73 1ndp s HIS 122 CO -0.04 -0.22 -0.08 0.20 -0.65 0.00 0.00 174.74 173.96 1ndp s GLY 123 N -0.06 0.45 0.28 1.59 0.00 -1.26 0.72 107.32 109.04 1ndp s GLY 123 Ca -0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 1ndp s GLY 123 CO 0.05 -0.11 1.52 1.44 0.00 0.00 0.00 173.10 176.00 1ndp n SER 124 N 3.20 3.46 -0.48 1.64 7.64 -0.16 -4.91 113.62 124.01 1ndp n SER 124 Ca -0.17 1.15 0.13 0.00 1.01 0.00 0.00 58.87 60.99 1ndp n SER 124 Cb 0.55 -1.54 0.33 0.00 -1.01 0.00 0.00 64.21 62.54 1ndp n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ndp n ASP 125 N 2.00 1.66 -3.62 6.43 5.68 -1.26 -4.81 116.55 122.62 1ndp n ASP 125 Ca 0.09 -1.38 -0.07 0.00 -0.50 0.00 0.00 54.79 52.93 1ndp n ASP 125 Cb 0.35 0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1ndp n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ndp s SER 126 N -2.24 -0.31 0.08 -1.12 1.04 -1.26 -4.92 113.70 104.96 1ndp s SER 126 Ca 0.29 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.27 1ndp s SER 126 Cb 0.20 0.49 -0.16 0.00 0.10 0.00 0.00 66.02 66.65 1ndp s SER 126 CO 0.43 -0.85 1.68 0.58 0.98 0.00 0.00 173.24 176.06 1ndp h VAL 127 N 2.00 1.03 -0.46 5.02 2.07 -1.93 0.41 116.25 124.39 1ndp h VAL 127 Ca -0.24 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1ndp h VAL 127 Cb 1.25 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 1ndp h VAL 127 CO 0.29 0.03 -0.08 -0.33 0.02 0.00 0.00 177.57 177.50 1ndp h GLU 128 N -0.07 0.03 -0.42 1.57 5.08 -1.97 0.16 114.58 118.96 1ndp h GLU 128 Ca -0.00 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1ndp h GLU 128 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ndp h GLU 128 CO 0.00 0.02 -0.09 0.77 -1.00 0.00 0.00 179.01 178.71 1ndp h SER 129 N 0.03 0.80 -0.79 1.42 0.02 -1.94 -2.35 113.55 110.74 1ndp h SER 129 Ca 0.23 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ndp h SER 129 Cb 0.34 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1ndp h SER 129 CO -0.45 0.97 0.49 0.00 -1.14 0.00 0.00 176.83 176.70 1ndp h ALA 130 N 0.86 1.00 -0.67 3.77 0.00 0.80 0.13 119.26 125.16 1ndp h ALA 130 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ndp h ALA 130 Cb 0.61 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ndp h ALA 130 CO 0.04 0.45 0.22 -0.91 0.00 0.00 0.00 179.25 179.05 1ndp h ASN 131 N 1.07 0.93 -0.10 0.00 2.35 -0.58 0.22 115.58 119.48 1ndp h ASN 131 Ca 0.28 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1ndp h ASN 131 Cb -0.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1ndp h ASN 131 CO -0.06 0.86 -0.40 -0.09 -1.65 0.00 0.00 177.43 176.10 1ndp h ARG 132 N 0.98 0.45 -0.25 0.81 2.43 -1.12 -3.24 114.38 114.43 1ndp h ARG 132 Ca 0.22 -0.35 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 1ndp h ARG 132 Cb 0.25 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ndp h ARG 132 CO -0.01 0.98 -0.59 0.93 -1.51 0.00 0.00 179.97 179.76 1ndp h GLU 133 N 0.02 0.82 -0.20 0.20 5.08 -0.54 -2.62 114.58 117.34 1ndp h GLU 133 Ca -0.02 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1ndp h GLU 133 Cb 1.03 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1ndp h GLU 133 CO 0.08 1.18 0.07 0.82 -1.00 0.00 0.00 179.01 180.16 1ndp h ILE 134 N 0.62 0.95 -0.51 3.13 2.04 -0.64 -1.97 117.51 121.13 1ndp h ILE 134 Ca 0.00 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1ndp h ILE 134 Cb 1.20 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 1ndp h ILE 134 CO 0.13 0.03 0.17 0.00 0.00 0.00 0.00 178.15 178.48 1ndp h ALA 135 N 1.12 0.62 0.66 1.87 0.00 -1.58 0.49 119.26 122.45 1ndp h ALA 135 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ndp h ALA 135 Cb 0.05 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ndp h ALA 135 CO -0.09 -0.23 -0.32 1.25 0.00 0.00 0.00 179.25 179.86 1ndp h LEU 136 N 0.34 -0.75 0.00 0.00 6.46 -1.40 -3.33 115.31 116.63 1ndp h LEU 136 Ca 0.25 0.01 -0.19 0.00 -0.12 0.00 0.00 57.88 57.83 1ndp h LEU 136 Cb 0.29 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1ndp h LEU 136 CO -0.27 -0.51 -1.06 -0.50 -0.62 0.00 0.00 178.44 175.48 1ndp h TRP 137 N -0.93 0.00 -4.22 1.25 4.06 -1.19 -3.47 115.95 111.45 1ndp h TRP 137 Ca -0.09 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.16 1ndp h TRP 137 Cb 0.70 0.00 -0.25 0.00 -1.00 0.00 0.00 29.16 28.60 1ndp h TRP 137 CO -0.02 0.81 -0.88 -0.06 -3.56 0.00 0.00 178.44 174.73 1ndp s PHE 138 N -2.79 2.33 0.15 0.49 0.40 0.17 -5.10 117.98 113.63 1ndp s PHE 138 Ca 0.00 -0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 55.70 1ndp s PHE 138 Cb 0.09 -1.37 -0.08 0.00 0.51 0.00 0.00 43.02 42.17 1ndp s PHE 138 CO 0.80 0.17 0.71 0.15 0.70 0.00 0.00 175.22 177.75 1ndp s LYS 139 N -1.41 4.41 0.25 0.44 1.02 -1.26 -4.41 119.74 118.78 1ndp s LYS 139 Ca 0.12 0.99 -0.05 0.00 0.02 0.00 0.00 55.97 57.06 1ndp s LYS 139 Cb -0.10 -3.20 0.49 0.00 -0.52 0.00 0.00 37.83 34.50 1ndp s LYS 139 CO 0.03 0.57 1.66 -1.35 -0.92 0.00 0.00 175.35 175.34 1ndp h PRO 140 N 4.24 0.20 0.00 -1.68 0.11 -1.95 0.43 132.00 133.36 1ndp h PRO 140 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ndp h PRO 140 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ndp h PRO 140 CO 0.65 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.72 1ndp n GLU 141 N -5.22 0.10 0.00 1.05 0.00 -1.26 -2.01 120.64 113.30 1ndp n GLU 141 Ca 0.15 0.23 0.12 0.00 0.00 0.00 0.00 57.16 57.66 1ndp n GLU 141 Cb 0.50 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.60 1ndp n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ndp n GLU 142 N -1.33 0.81 -4.35 3.44 1.02 0.15 -4.90 120.64 115.48 1ndp n GLU 142 Ca 0.04 -0.59 -0.34 0.00 -0.02 0.00 0.00 57.16 56.25 1ndp n GLU 142 Cb 0.08 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.92 1ndp n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ndp s LEU 143 N -2.60 3.56 0.54 -4.62 1.43 -0.85 -4.56 118.68 111.58 1ndp s LEU 143 Ca 0.19 0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.19 1ndp s LEU 143 Cb 0.18 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 1ndp s LEU 143 CO 0.60 0.35 1.13 -0.76 0.23 0.00 0.00 176.35 177.90 1ndp s LEU 144 N -1.10 3.76 -0.25 1.79 1.43 0.20 -4.97 118.68 119.55 1ndp s LEU 144 Ca 0.15 2.19 -0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1ndp s LEU 144 Cb -0.11 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.40 1ndp s LEU 144 CO 0.05 -1.22 -0.26 0.41 0.23 0.00 0.00 176.35 175.56 1ndp n THR 145 N -1.28 1.37 -3.73 5.49 -1.04 -1.26 -4.87 114.28 108.96 1ndp n THR 145 Ca 0.12 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.05 61.30 1ndp n THR 145 Cb 0.51 -1.56 -0.11 0.00 -1.82 0.00 0.00 70.33 67.34 1ndp n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1ndp s GLU 146 N -2.47 2.38 -0.19 -2.82 0.41 -1.26 -5.08 118.70 109.67 1ndp s GLU 146 Ca -0.34 -1.52 -0.09 0.00 -0.41 0.00 0.00 54.97 52.62 1ndp s GLU 146 Cb 0.11 -3.58 -0.05 0.00 -1.78 0.00 0.00 34.13 28.83 1ndp s GLU 146 CO 0.50 -0.91 0.11 0.08 -0.49 0.00 0.00 175.26 174.56 1ndp s VAL 147 N 1.30 5.23 -0.35 2.63 1.01 -1.26 -5.07 120.40 123.89 1ndp s VAL 147 Ca 0.03 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1ndp s VAL 147 Cb -0.22 -3.37 0.10 0.00 0.00 0.00 0.00 36.38 32.89 1ndp s VAL 147 CO -0.01 0.46 0.07 -0.54 0.00 0.00 0.00 175.10 175.08 1ndp s LYS 148 N 0.28 1.59 0.22 2.72 3.01 -1.26 -5.11 119.74 121.19 1ndp s LYS 148 Ca 0.07 -1.85 -0.07 0.00 -1.01 0.00 0.00 55.97 53.11 1ndp s LYS 148 Cb -0.11 -3.25 -0.06 0.00 -1.01 0.00 0.00 37.83 33.39 1ndp s LYS 148 CO -0.01 -0.94 0.50 -1.25 0.51 0.00 0.00 175.35 174.16 1ndp s PRO 149 N 0.95 3.71 0.18 -1.68 0.04 -1.26 -5.01 135.00 131.93 1ndp s PRO 149 Ca 0.10 0.12 -0.32 0.00 0.04 0.00 0.00 61.00 60.93 1ndp s PRO 149 Cb -0.20 -2.70 -0.16 0.00 0.04 0.00 0.00 34.50 31.49 1ndp s PRO 149 CO -0.07 0.33 1.08 -1.71 0.04 0.00 0.00 177.00 176.67 1ndp n ASN 150 N -0.26 1.02 0.00 6.66 2.85 -1.26 -4.77 115.26 119.49 1ndp n ASN 150 Ca -0.01 1.15 0.13 0.00 -0.11 0.00 0.00 54.58 55.74 1ndp n ASN 150 Cb 0.53 -1.18 0.79 0.00 1.24 0.00 0.00 39.78 41.16 1ndp n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ndp n PRO 151 N 1.54 0.98 0.01 1.20 -0.04 -1.26 -2.48 135.00 134.94 1ndp n PRO 151 Ca 0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1ndp n PRO 151 Cb 0.24 -1.43 0.16 0.00 -0.04 0.00 0.00 33.50 32.44 1ndp n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ndp n ASN 152 N -0.93 0.61 0.03 3.54 3.02 -1.26 -4.30 115.26 115.97 1ndp n ASN 152 Ca 0.20 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 54.17 1ndp n ASN 152 Cb 0.09 0.43 -0.14 0.00 -0.61 0.00 0.00 39.78 39.55 1ndp n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ndp h LEU 153 N 0.00 0.45 -8.69 3.41 3.38 -1.83 -3.48 115.31 108.55 1ndp h LEU 153 Ca 0.00 -0.89 -0.58 0.00 0.09 0.00 0.00 57.88 56.50 1ndp h LEU 153 Cb 0.53 -0.15 -0.22 0.00 0.09 0.00 0.00 40.66 40.91 1ndp h LEU 153 CO 0.00 1.70 -0.84 -0.31 0.09 0.00 0.00 178.44 179.08 1ndp s TYR 154 N -2.51 1.87 -2.80 1.13 2.02 -1.26 -5.13 117.35 110.66 1ndp s TYR 154 Ca -0.19 -0.41 0.26 0.00 -0.37 0.00 0.00 57.07 56.36 1ndp s TYR 154 Cb 0.05 -1.04 0.54 0.00 -0.40 0.00 0.00 41.96 41.11 1ndp s TYR 154 CO 0.79 0.21 1.45 -1.91 -1.57 0.00 0.00 175.55 174.52