#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nw2 s THR 2 N 0.00 4.54 0.39 0.00 -4.23 -1.26 -4.54 115.64 110.53 1nw2 s THR 2 Ca 0.00 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.17 1nw2 s THR 2 Cb 0.00 -2.95 -0.07 0.00 1.34 0.00 0.00 72.50 70.82 1nw2 s THR 2 CO 0.00 0.55 0.75 -0.04 -0.54 0.00 0.00 174.62 175.34 1nw2 s MET 3 N -1.10 3.79 -0.27 3.99 1.00 0.23 -4.89 119.30 122.05 1nw2 s MET 3 Ca 0.16 0.46 -0.11 0.00 0.00 0.00 0.00 55.69 56.20 1nw2 s MET 3 Cb -0.12 -2.41 -0.05 0.00 0.00 0.00 0.00 34.83 32.25 1nw2 s MET 3 CO 0.05 0.00 0.17 0.99 0.00 0.00 0.00 175.02 176.23 1nw2 s THR 4 N -2.31 5.23 0.11 2.05 2.01 -1.26 -0.41 115.64 121.07 1nw2 s THR 4 Ca 0.51 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.69 1nw2 s THR 4 Cb -0.10 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1nw2 s THR 4 CO 0.30 0.28 0.12 -0.76 -0.69 0.00 0.00 174.62 173.86 1nw2 s LEU 5 N 1.58 3.86 0.24 4.42 1.43 0.33 -4.92 118.68 125.63 1nw2 s LEU 5 Ca 0.07 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1nw2 s LEU 5 Cb -0.15 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1nw2 s LEU 5 CO 0.09 0.13 0.09 0.42 0.23 0.00 0.00 176.35 177.30 1nw2 s THR 6 N -1.54 0.51 0.46 5.49 -4.23 -1.26 -4.52 115.64 110.54 1nw2 s THR 6 Ca 0.30 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1nw2 s THR 6 Cb -0.11 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.50 1nw2 s THR 6 CO 0.23 -0.08 2.04 0.44 -0.54 0.00 0.00 174.62 176.71 1nw2 h ASP 7 N 2.46 0.27 -0.26 3.99 3.32 -1.89 0.21 116.42 124.52 1nw2 h ASP 7 Ca -0.38 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 1nw2 h ASP 7 Cb 1.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1nw2 h ASP 7 CO 0.60 0.18 -0.03 0.00 -1.72 0.00 0.00 179.24 178.27 1nw2 h ALA 8 N 1.77 0.36 -0.36 3.45 0.00 -1.99 -3.30 119.26 119.19 1nw2 h ALA 8 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nw2 h ALA 8 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nw2 h ALA 8 CO -0.04 0.13 0.00 0.27 0.00 0.00 0.00 179.25 179.61 1nw2 n ASN 9 N -4.58 3.05 0.41 0.00 0.23 -1.03 -4.73 115.26 108.62 1nw2 n ASN 9 Ca -0.03 -1.90 -0.19 0.00 -0.53 0.00 0.00 54.58 51.92 1nw2 n ASN 9 Cb 0.27 -0.23 -0.10 0.00 -2.08 0.00 0.00 39.78 37.64 1nw2 n ASN 9 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1nw2 h PHE 10 N 3.04 -1.25 -0.94 -2.53 3.57 -1.04 -2.54 116.94 115.25 1nw2 h PHE 10 Ca 0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1nw2 h PHE 10 Cb 0.79 0.44 -0.08 0.00 2.79 0.00 0.00 35.95 39.90 1nw2 h PHE 10 CO 0.23 -0.70 0.58 1.96 -2.23 0.00 0.00 178.31 178.15 1nw2 h GLN 11 N -1.15 0.93 -0.92 1.11 1.08 -1.85 -1.16 115.11 113.15 1nw2 h GLN 11 Ca -0.10 -0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.14 1nw2 h GLN 11 Cb 0.92 -0.21 -0.07 0.00 -0.05 0.00 0.00 27.48 28.08 1nw2 h GLN 11 CO 0.10 0.61 0.59 0.37 -0.95 0.00 0.00 178.83 179.55 1nw2 h GLN 12 N 0.96 0.90 0.13 1.46 4.15 -1.84 -1.03 115.11 119.84 1nw2 h GLN 12 Ca 0.45 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 1nw2 h GLN 12 Cb 0.39 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1nw2 h GLN 12 CO -0.24 0.60 -0.06 0.00 -1.93 0.00 0.00 178.83 177.19 1nw2 h ALA 13 N 1.54 -0.18 0.00 3.38 0.00 -0.81 -3.35 119.26 119.85 1nw2 h ALA 13 Ca 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nw2 h ALA 13 Cb 0.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nw2 h ALA 13 CO -0.19 -0.22 0.00 -0.84 0.00 0.00 0.00 179.25 178.00 1nw2 h ILE 14 N -0.94 0.00 0.00 0.00 3.07 -1.31 -3.22 117.51 115.12 1nw2 h ILE 14 Ca -0.02 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1nw2 h ILE 14 Cb 0.48 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1nw2 h ILE 14 CO 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.13 1nw2 n GLN 15 N -2.82 0.22 0.00 0.16 6.02 -0.40 -4.18 117.38 116.39 1nw2 n GLN 15 Ca 0.01 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1nw2 n GLN 15 Cb 0.29 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1nw2 n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nw2 n GLY 16 N 1.33 1.43 0.00 1.08 0.00 -1.22 -4.61 105.19 103.20 1nw2 n GLY 16 Ca 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1nw2 n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nw2 n ASP 17 N 0.00 0.00 -4.92 1.61 2.03 -1.26 -4.60 116.55 109.41 1nw2 n ASP 17 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1nw2 n ASP 17 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1nw2 n ASP 17 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1nw2 s LYS 18 N 0.00 2.25 0.77 -0.67 -2.85 -1.26 -4.73 119.74 113.26 1nw2 s LYS 18 Ca 0.00 -0.44 -0.14 0.00 -1.00 0.00 0.00 55.97 54.39 1nw2 s LYS 18 Cb 0.00 -2.26 0.06 0.00 -2.06 0.00 0.00 37.83 33.57 1nw2 s LYS 18 CO 0.00 -1.12 1.20 -2.14 0.10 0.00 0.00 175.35 173.39 1nw2 s PRO 19 N -5.12 1.87 -0.07 1.78 0.02 -1.26 -4.82 135.00 127.41 1nw2 s PRO 19 Ca 0.60 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1nw2 s PRO 19 Cb -0.10 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.63 1nw2 s PRO 19 CO 0.43 -2.03 -0.05 0.08 -0.33 0.00 0.00 177.00 175.09 1nw2 s VAL 20 N -2.11 0.69 -0.32 3.83 1.01 0.63 -1.26 120.40 122.88 1nw2 s VAL 20 Ca 0.73 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 1nw2 s VAL 20 Cb -0.28 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1nw2 s VAL 20 CO 0.48 0.28 0.17 -0.22 0.00 0.00 0.00 175.10 175.82 1nw2 s LEU 21 N 1.28 4.20 -0.19 3.92 2.96 0.12 0.27 118.68 131.25 1nw2 s LEU 21 Ca -0.05 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1nw2 s LEU 21 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1nw2 s LEU 21 CO -0.02 -0.21 0.04 -0.69 -1.32 0.00 0.00 176.35 174.15 1nw2 s VAL 22 N 1.63 4.40 -0.46 1.68 1.01 -0.29 -0.05 120.40 128.33 1nw2 s VAL 22 Ca 0.05 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1nw2 s VAL 22 Cb -0.17 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.27 1nw2 s VAL 22 CO 0.07 0.44 0.42 -0.62 0.00 0.00 0.00 175.10 175.41 1nw2 s ASP 23 N 0.71 6.16 -0.33 3.32 2.15 0.43 -1.28 116.67 127.82 1nw2 s ASP 23 Ca 0.02 -1.08 -0.22 0.00 0.43 0.00 0.00 52.55 51.70 1nw2 s ASP 23 Cb -0.14 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1nw2 s ASP 23 CO 0.02 -0.64 0.73 -0.36 -0.17 0.00 0.00 175.17 174.75 1nw2 s PHE 24 N 1.88 3.17 0.38 -5.34 0.40 0.27 -0.52 117.98 118.21 1nw2 s PHE 24 Ca 0.07 0.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.04 1nw2 s PHE 24 Cb -0.21 -3.22 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 1nw2 s PHE 24 CO 0.09 -0.61 0.13 1.67 0.70 0.00 0.00 175.22 177.20 1nw2 s TRP 25 N 2.89 1.77 0.04 0.36 1.48 -0.84 -2.40 118.94 122.23 1nw2 s TRP 25 Ca 0.29 -1.27 -0.14 0.00 -1.06 0.00 0.00 56.10 53.92 1nw2 s TRP 25 Cb -0.14 -1.10 0.02 0.00 -1.16 0.00 0.00 33.47 31.09 1nw2 s TRP 25 CO 0.14 -0.32 0.30 0.00 -4.06 0.00 0.00 176.95 173.01 1nw2 s ALA 26 N -3.30 -0.68 0.45 2.67 0.00 -1.26 -1.90 121.76 117.74 1nw2 s ALA 26 Ca 0.28 0.02 0.15 0.00 0.00 0.00 0.00 51.96 52.40 1nw2 s ALA 26 Cb 0.04 0.30 1.07 0.00 0.00 0.00 0.00 23.12 24.52 1nw2 s ALA 26 CO 0.16 -0.40 1.99 0.00 0.00 0.00 0.00 175.76 177.51 1nw2 h ALA 27 N 3.28 2.04 -0.01 0.00 0.00 -2.02 -1.14 119.26 121.42 1nw2 h ALA 27 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nw2 h ALA 27 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nw2 h ALA 27 CO 0.46 -0.16 -0.06 -2.67 0.00 0.00 0.00 179.25 176.81 1nw2 n TRP 28 N -4.47 0.00 -1.77 0.00 4.27 -1.26 -4.94 117.44 109.28 1nw2 n TRP 28 Ca 0.09 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.28 1nw2 n TRP 28 Cb 0.36 -0.06 -0.02 0.00 -1.36 0.00 0.00 31.31 30.23 1nw2 n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nw2 h GLY 30 N 6.04 -0.01 1.11 0.00 0.00 -1.90 -3.35 103.07 104.97 1nw2 h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nw2 h GLY 30 CO 0.89 -0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.88 1nw2 n PRO 31 N -2.03 0.78 -0.09 4.80 -0.04 -1.26 -4.21 135.00 132.95 1nw2 n PRO 31 Ca -0.00 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1nw2 n PRO 31 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1nw2 n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nw2 h ARG 33 N 0.34 0.37 -0.19 0.00 2.43 -1.81 -1.35 114.38 114.17 1nw2 h ARG 33 Ca 0.10 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1nw2 h ARG 33 Cb 0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1nw2 h ARG 33 CO -0.01 0.24 0.04 0.52 -1.51 0.00 0.00 179.97 179.25 1nw2 h MET 34 N 0.38 0.27 0.00 0.20 2.86 -1.76 -2.73 114.93 114.15 1nw2 h MET 34 Ca 0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1nw2 h MET 34 Cb 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1nw2 h MET 34 CO -0.18 0.26 0.00 0.52 1.06 0.00 0.00 176.91 178.57 1nw2 h MET 35 N 0.27 0.00 -0.31 1.72 2.86 -0.20 -3.39 114.93 115.88 1nw2 h MET 35 Ca 0.07 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1nw2 h MET 35 Cb 0.11 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 1nw2 h MET 35 CO -0.00 0.00 -0.26 0.00 1.06 0.00 0.00 176.91 177.71 1nw2 h ALA 36 N 2.04 -0.10 0.00 6.32 0.00 -1.01 -0.77 119.26 125.75 1nw2 h ALA 36 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nw2 h ALA 36 Cb 0.95 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1nw2 h ALA 36 CO 0.00 -0.66 -0.27 -1.35 0.00 0.00 0.00 179.25 176.97 1nw2 h PRO 37 N -0.23 0.00 -0.14 0.00 0.11 -1.79 -1.61 132.00 128.34 1nw2 h PRO 37 Ca 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1nw2 h PRO 37 Cb 0.48 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1nw2 h PRO 37 CO -0.44 0.27 -0.06 0.28 -0.21 0.00 0.00 178.00 177.83 1nw2 h VAL 38 N 0.00 1.31 -0.77 3.15 2.07 -1.57 -1.97 116.25 118.47 1nw2 h VAL 38 Ca -0.00 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1nw2 h VAL 38 Cb 0.50 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1nw2 h VAL 38 CO 0.03 0.31 0.27 -0.07 0.02 0.00 0.00 177.57 178.14 1nw2 h LEU 39 N -0.04 1.09 -0.31 2.57 3.38 -0.95 -1.82 115.31 119.24 1nw2 h LEU 39 Ca 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nw2 h LEU 39 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1nw2 h LEU 39 CO 0.02 0.99 0.18 -0.08 0.09 0.00 0.00 178.44 179.63 1nw2 h GLU 40 N 1.13 0.42 -0.45 1.13 4.57 -1.21 -1.02 114.58 119.16 1nw2 h GLU 40 Ca 0.25 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.25 1nw2 h GLU 40 Cb 0.26 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1nw2 h GLU 40 CO -0.01 0.34 -0.26 0.93 -1.18 0.00 0.00 179.01 178.82 1nw2 h GLU 41 N 0.39 0.96 -0.46 1.92 4.39 -1.22 -1.58 114.58 118.99 1nw2 h GLU 41 Ca 0.11 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1nw2 h GLU 41 Cb 0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1nw2 h GLU 41 CO -0.02 1.10 0.22 0.35 -1.16 0.00 0.00 179.01 179.50 1nw2 h PHE 42 N 0.82 0.66 -0.20 4.33 3.57 -1.27 -0.92 116.94 123.92 1nw2 h PHE 42 Ca 0.10 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1nw2 h PHE 42 Cb 0.84 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1nw2 h PHE 42 CO 0.05 0.53 -0.06 0.00 -2.23 0.00 0.00 178.31 176.60 1nw2 h ALA 43 N 1.06 0.12 -0.70 2.41 0.00 -1.03 -2.23 119.26 118.90 1nw2 h ALA 43 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nw2 h ALA 43 Cb 0.12 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1nw2 h ALA 43 CO -0.02 -0.48 0.39 0.93 0.00 0.00 0.00 179.25 180.07 1nw2 h GLU 44 N -0.01 0.97 0.00 0.00 5.08 -0.98 0.42 114.58 120.06 1nw2 h GLU 44 Ca 0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nw2 h GLU 44 Cb 0.16 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nw2 h GLU 44 CO -0.21 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1nw2 h ALA 45 N 1.20 1.00 0.00 3.43 0.00 -0.84 -3.01 119.26 121.04 1nw2 h ALA 45 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1nw2 h ALA 45 Cb 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 1nw2 h ALA 45 CO -0.04 0.00 -0.63 0.72 0.00 0.00 0.00 179.25 179.30 1nw2 n HIS 46 N -2.32 0.00 -0.28 0.00 8.25 -0.82 -4.90 115.22 115.15 1nw2 n HIS 46 Ca 0.01 -0.84 0.21 0.00 -0.26 0.00 0.00 57.72 56.83 1nw2 n HIS 46 Cb 0.18 -0.17 0.51 0.00 1.12 0.00 0.00 29.99 31.63 1nw2 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nw2 h ALA 47 N 0.71 2.23 0.00 -1.41 0.00 -0.80 0.10 119.26 120.10 1nw2 h ALA 47 Ca -0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nw2 h ALA 47 Cb 1.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nw2 h ALA 47 CO 0.04 -0.56 -0.11 -0.44 0.00 0.00 0.00 179.25 178.18 1nw2 h ASP 48 N 0.40 0.00 0.00 0.00 5.19 -1.88 -3.29 116.42 116.85 1nw2 h ASP 48 Ca 0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 1nw2 h ASP 48 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1nw2 h ASP 48 CO -0.21 0.11 -1.71 0.29 -3.12 0.00 0.00 179.24 174.60 1nw2 n LYS 49 N -3.27 0.63 -3.60 3.56 4.76 0.28 -5.02 118.16 115.50 1nw2 n LYS 49 Ca 0.00 -0.15 -0.15 0.00 -2.87 0.00 0.00 58.31 55.14 1nw2 n LYS 49 Cb 0.36 -1.43 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 1nw2 n LYS 49 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nw2 s VAL 50 N -3.21 0.02 -0.17 -0.18 0.11 -0.71 -4.03 120.40 112.23 1nw2 s VAL 50 Ca -0.05 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1nw2 s VAL 50 Cb 0.12 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1nw2 s VAL 50 CO 0.77 -0.11 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.50 1nw2 s THR 51 N -1.60 3.74 -0.18 5.04 2.01 -0.39 -4.41 115.64 119.85 1nw2 s THR 51 Ca -0.10 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1nw2 s THR 51 Cb -0.02 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1nw2 s THR 51 CO 0.05 0.47 0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 1nw2 s VAL 52 N 0.67 5.09 0.13 3.82 1.01 -1.26 0.15 120.40 130.01 1nw2 s VAL 52 Ca -0.02 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1nw2 s VAL 52 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1nw2 s VAL 52 CO 0.02 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 1nw2 s ALA 53 N 0.25 1.17 0.01 5.51 0.00 0.93 -0.60 121.76 129.03 1nw2 s ALA 53 Ca 0.06 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 50.64 1nw2 s ALA 53 Cb -0.12 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1nw2 s ALA 53 CO -0.01 -0.25 -0.22 0.15 0.00 0.00 0.00 175.76 175.44 1nw2 s LYS 54 N -3.85 1.63 -0.13 0.00 1.02 0.45 -0.43 119.74 118.42 1nw2 s LYS 54 Ca 0.17 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 1nw2 s LYS 54 Cb 0.05 -1.65 0.04 0.00 -0.52 0.00 0.00 37.83 35.75 1nw2 s LYS 54 CO -0.01 0.44 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.69 1nw2 s LEU 55 N -0.82 1.02 -0.28 3.17 0.20 0.32 -0.51 118.68 121.77 1nw2 s LEU 55 Ca 0.08 -0.46 -0.29 0.00 0.69 0.00 0.00 54.13 54.15 1nw2 s LEU 55 Cb -0.09 -0.61 0.01 0.00 -0.43 0.00 0.00 46.19 45.08 1nw2 s LEU 55 CO 0.00 -0.23 1.13 0.21 -0.29 0.00 0.00 176.35 177.18 1nw2 s ASN 56 N 1.85 6.92 0.35 3.68 3.84 -1.26 -1.99 114.94 128.33 1nw2 s ASN 56 Ca 0.02 1.21 0.06 0.00 0.21 0.00 0.00 52.86 54.36 1nw2 s ASN 56 Cb -0.14 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.67 1nw2 s ASN 56 CO -0.07 -0.87 1.88 -0.37 -2.79 0.00 0.00 177.10 174.89 1nw2 h VAL 57 N 5.70 1.19 0.79 -5.21 -1.51 -1.65 -1.31 116.25 114.25 1nw2 h VAL 57 Ca -0.22 -0.80 -0.04 0.00 -1.23 0.00 0.00 66.70 64.41 1nw2 h VAL 57 Cb 1.07 1.05 0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1nw2 h VAL 57 CO 1.02 0.27 -0.38 -0.78 -1.23 0.00 0.00 177.57 176.46 1nw2 h ASP 58 N 0.41 -0.90 0.27 4.19 1.82 -1.91 -2.96 116.42 117.34 1nw2 h ASP 58 Ca 0.09 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1nw2 h ASP 58 Cb 0.36 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 1nw2 h ASP 58 CO 0.02 -0.58 -0.07 -0.33 -1.61 0.00 0.00 179.24 176.68 1nw2 h GLU 59 N -1.19 0.00 -2.25 0.28 5.08 -1.94 -3.32 114.58 111.23 1nw2 h GLU 59 Ca -0.11 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.66 1nw2 h GLU 59 Cb 0.83 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.68 1nw2 h GLU 59 CO 0.18 0.07 -0.82 0.09 -1.00 0.00 0.00 179.01 177.52 1nw2 n ASN 60 N -3.57 1.85 0.22 1.42 3.02 -0.50 -4.86 115.26 112.84 1nw2 n ASN 60 Ca -0.02 -3.01 0.05 0.00 -0.03 0.00 0.00 54.58 51.57 1nw2 n ASN 60 Cb 0.18 -0.66 0.49 0.00 -0.61 0.00 0.00 39.78 39.18 1nw2 n ASN 60 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1nw2 h PRO 61 N 4.44 0.00 0.09 3.52 0.11 -1.63 -2.97 132.00 135.56 1nw2 h PRO 61 Ca 0.15 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1nw2 h PRO 61 Cb 0.78 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1nw2 h PRO 61 CO 0.63 0.20 -0.04 0.93 -0.21 0.00 0.00 178.00 179.50 1nw2 h GLU 62 N 0.00 -0.12 -0.50 1.05 5.08 -1.92 -0.62 114.58 117.55 1nw2 h GLU 62 Ca -0.00 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1nw2 h GLU 62 Cb 0.35 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1nw2 h GLU 62 CO 0.03 0.22 0.12 1.15 -1.00 0.00 0.00 179.01 179.53 1nw2 h THR 63 N -0.47 1.24 -0.15 1.13 2.02 -1.93 -0.59 112.91 114.16 1nw2 h THR 63 Ca -0.01 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.36 1nw2 h THR 63 Cb 0.40 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1nw2 h THR 63 CO 0.02 0.31 -0.15 0.74 0.37 0.00 0.00 175.52 176.81 1nw2 h THR 64 N 0.69 0.59 -0.67 3.16 2.02 -1.48 -2.12 112.91 115.10 1nw2 h THR 64 Ca 0.16 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1nw2 h THR 64 Cb 0.33 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1nw2 h THR 64 CO 0.00 0.00 0.25 -1.28 0.37 0.00 0.00 175.52 174.86 1nw2 h SER 65 N -0.18 0.94 -0.41 4.18 0.87 -0.95 -2.73 113.55 115.27 1nw2 h SER 65 Ca 0.10 -0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1nw2 h SER 65 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1nw2 h SER 65 CO -0.25 0.87 0.28 1.56 -0.53 0.00 0.00 176.83 178.75 1nw2 h GLN 66 N 0.96 0.32 -0.65 2.24 4.20 -0.58 -1.97 115.11 119.62 1nw2 h GLN 66 Ca 0.22 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1nw2 h GLN 66 Cb 0.24 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1nw2 h GLN 66 CO -0.01 0.21 0.00 1.19 -0.67 0.00 0.00 178.83 179.55 1nw2 n PHE 67 N -4.48 1.55 -3.69 2.96 3.72 -0.85 -4.96 117.46 111.73 1nw2 n PHE 67 Ca 0.05 -0.62 -0.28 0.00 -0.05 0.00 0.00 57.45 56.55 1nw2 n PHE 67 Cb 0.24 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.53 1nw2 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nw2 n GLY 68 N 1.09 -0.50 3.75 1.37 0.00 -0.74 -4.91 105.19 105.25 1nw2 n GLY 68 Ca 0.26 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 1nw2 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nw2 s ILE 69 N -3.22 2.26 0.00 -0.61 -1.09 -1.05 -4.87 121.20 112.63 1nw2 s ILE 69 Ca 0.57 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1nw2 s ILE 69 Cb -0.28 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1nw2 s ILE 69 CO 0.71 0.04 0.00 0.23 -1.23 0.00 0.00 174.94 174.69 1nw2 n MET 70 N 2.01 0.00 -3.69 2.79 2.81 -1.26 -4.94 117.12 114.83 1nw2 n MET 70 Ca 0.07 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.62 1nw2 n MET 70 Cb 0.39 -0.47 -0.05 0.00 -0.71 0.00 0.00 33.22 32.37 1nw2 n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1nw2 s SER 71 N -4.54 6.53 -0.11 7.83 0.01 -1.26 -5.08 113.70 117.07 1nw2 s SER 71 Ca 0.00 0.62 0.01 0.00 1.31 0.00 0.00 55.95 57.89 1nw2 s SER 71 Cb 0.00 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.14 1nw2 s SER 71 CO 0.00 0.18 -0.11 -0.63 0.41 0.00 0.00 173.24 173.08 1nw2 s ILE 72 N -1.42 1.26 0.49 1.44 -1.09 -1.26 -3.33 121.20 117.29 1nw2 s ILE 72 Ca 0.33 -0.47 -0.06 0.00 -2.23 0.00 0.00 60.65 58.22 1nw2 s ILE 72 Cb -0.13 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1nw2 s ILE 72 CO 0.19 0.40 0.81 -2.16 -1.23 0.00 0.00 174.94 172.96 1nw2 s PRO 73 N 1.34 3.56 -0.06 2.79 0.04 -1.26 -4.74 135.00 136.66 1nw2 s PRO 73 Ca -0.01 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.34 1nw2 s PRO 73 Cb -0.14 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1nw2 s PRO 73 CO -0.06 -0.24 -0.12 0.99 0.04 0.00 0.00 177.00 177.61 1nw2 s THR 74 N -2.78 1.11 -0.16 1.26 2.01 -1.01 -0.87 115.64 115.20 1nw2 s THR 74 Ca 0.48 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1nw2 s THR 74 Cb -0.10 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1nw2 s THR 74 CO 0.45 0.35 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.93 1nw2 s LEU 75 N 0.65 3.19 -0.11 4.42 1.43 0.16 -0.57 118.68 127.87 1nw2 s LEU 75 Ca -0.14 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1nw2 s LEU 75 Cb -0.16 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1nw2 s LEU 75 CO 0.04 0.15 -0.15 -0.63 0.23 0.00 0.00 176.35 175.98 1nw2 s ILE 76 N 0.49 1.48 -0.23 -0.59 1.01 -0.41 -1.05 121.20 121.91 1nw2 s ILE 76 Ca -0.04 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 1nw2 s ILE 76 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1nw2 s ILE 76 CO 0.03 0.44 0.34 -0.22 0.00 0.00 0.00 174.94 175.52 1nw2 s LEU 77 N 1.02 4.11 -0.13 2.97 2.96 0.34 -1.14 118.68 128.81 1nw2 s LEU 77 Ca -0.06 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1nw2 s LEU 77 Cb -0.15 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1nw2 s LEU 77 CO -0.02 -0.08 0.07 -0.36 -1.32 0.00 0.00 176.35 174.65 1nw2 s PHE 78 N 1.48 3.35 0.04 5.38 0.40 0.14 -0.32 117.98 128.45 1nw2 s PHE 78 Ca 0.15 0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 1nw2 s PHE 78 Cb -0.15 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1nw2 s PHE 78 CO 0.08 0.47 -0.11 0.15 0.70 0.00 0.00 175.22 176.51 1nw2 s LYS 79 N -0.55 0.74 6.03 0.44 1.02 -0.40 -0.26 119.74 126.75 1nw2 s LYS 79 Ca 0.11 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1nw2 s LYS 79 Cb -0.12 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1nw2 s LYS 79 CO 0.02 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1nw2 n GLY 80 N 1.81 3.45 0.30 -3.33 0.00 -1.26 -0.84 105.19 105.33 1nw2 n GLY 80 Ca -0.19 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.84 1nw2 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nw2 n GLY 81 N 0.00 3.01 3.36 -0.02 0.00 -1.26 -4.48 105.19 105.80 1nw2 n GLY 81 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1nw2 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nw2 s GLU 82 N -1.14 1.37 0.28 1.61 2.02 -0.02 -4.81 118.70 118.02 1nw2 s GLU 82 Ca 0.12 -1.64 -0.29 0.00 0.02 0.00 0.00 54.97 53.18 1nw2 s GLU 82 Cb 0.07 -1.03 -0.10 0.00 0.10 0.00 0.00 34.13 33.18 1nw2 s GLU 82 CO 0.07 0.10 1.41 -2.14 0.02 0.00 0.00 175.26 174.72 1nw2 s PRO 83 N -3.70 4.27 -0.00 0.39 0.02 -1.26 -1.28 135.00 133.44 1nw2 s PRO 83 Ca 0.25 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.59 1nw2 s PRO 83 Cb 0.02 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.43 1nw2 s PRO 83 CO 0.08 -0.38 0.07 1.33 -0.33 0.00 0.00 177.00 177.77 1nw2 n VAL 84 N 1.77 0.00 -3.60 3.83 0.24 0.57 -4.87 118.33 116.25 1nw2 n VAL 84 Ca 0.05 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.89 1nw2 n VAL 84 Cb 0.40 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.58 1nw2 n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nw2 s LYS 85 N -1.41 0.58 0.00 7.34 2.20 -1.19 -5.00 119.74 122.25 1nw2 s LYS 85 Ca 0.00 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1nw2 s LYS 85 Cb 0.01 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1nw2 s LYS 85 CO 0.07 -0.13 -0.07 -1.14 -0.36 0.00 0.00 175.35 173.73 1nw2 s GLN 86 N -0.45 0.51 0.02 4.03 0.74 -1.26 -0.50 119.66 122.75 1nw2 s GLN 86 Ca 0.00 -0.32 0.06 0.00 0.05 0.00 0.00 55.36 55.15 1nw2 s GLN 86 Cb -0.03 -0.46 -0.02 0.00 1.10 0.00 0.00 33.01 33.60 1nw2 s GLN 86 CO -0.02 0.12 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.16 1nw2 s LEU 87 N -0.39 2.12 0.10 3.68 1.43 -0.21 -4.99 118.68 120.41 1nw2 s LEU 87 Ca 0.00 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1nw2 s LEU 87 Cb -0.04 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 1nw2 s LEU 87 CO -0.00 0.14 -0.23 0.27 0.23 0.00 0.00 176.35 176.75 1nw2 s ILE 88 N -0.67 1.93 0.00 -0.59 -4.36 -1.26 -0.66 121.20 115.59 1nw2 s ILE 88 Ca 0.05 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1nw2 s ILE 88 Cb -0.08 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.92 1nw2 s ILE 88 CO 0.01 0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1nw2 n GLY 89 N 1.22 -1.15 3.70 6.27 0.00 -0.05 -4.91 105.19 110.27 1nw2 n GLY 89 Ca -0.18 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1nw2 n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nw2 n TYR 90 N -0.95 2.34 -3.73 1.61 9.36 -1.26 -4.77 117.16 119.77 1nw2 n TYR 90 Ca 0.00 0.48 -0.21 0.00 3.32 0.00 0.00 57.90 61.49 1nw2 n TYR 90 Cb 0.00 -2.45 -0.18 0.00 -0.63 0.00 0.00 39.34 36.08 1nw2 n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1nw2 s GLN 91 N -1.32 0.19 0.92 2.98 -1.52 -1.26 -5.12 119.66 114.54 1nw2 s GLN 91 Ca 0.60 0.26 -0.13 0.00 -1.95 0.00 0.00 55.36 54.14 1nw2 s GLN 91 Cb -0.58 -0.66 0.15 0.00 -0.22 0.00 0.00 33.01 31.69 1nw2 s GLN 91 CO 0.57 -0.30 1.14 -1.25 -0.25 0.00 0.00 175.29 175.20 1nw2 s PRO 92 N 2.00 1.03 0.19 2.91 0.04 -1.26 -4.79 135.00 135.12 1nw2 s PRO 92 Ca 0.04 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 1nw2 s PRO 92 Cb -0.12 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1nw2 s PRO 92 CO -0.04 -2.27 1.83 -0.22 0.04 0.00 0.00 177.00 176.34 1nw2 h LYS 93 N -1.55 0.68 0.00 4.56 3.64 -1.98 -1.82 116.57 120.11 1nw2 h LYS 93 Ca -0.51 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1nw2 h LYS 93 Cb 1.33 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1nw2 h LYS 93 CO 0.61 0.45 -0.02 1.05 -2.27 0.00 0.00 179.45 179.26 1nw2 h GLU 94 N 0.70 0.00 0.22 1.90 9.09 -1.98 0.59 114.58 125.10 1nw2 h GLU 94 Ca 0.23 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.31 1nw2 h GLU 94 Cb 0.02 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.14 1nw2 h GLU 94 CO -0.10 0.02 -1.51 1.96 0.05 0.00 0.00 179.01 179.44 1nw2 h GLN 95 N 0.00 0.46 -0.91 1.06 1.08 -1.70 -0.81 115.11 114.30 1nw2 h GLN 95 Ca -0.00 -0.79 0.02 0.00 -1.45 0.00 0.00 58.65 56.43 1nw2 h GLN 95 Cb 0.11 0.29 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 1nw2 h GLN 95 CO 0.00 1.37 0.59 -0.07 -0.95 0.00 0.00 178.83 179.78 1nw2 h LEU 96 N 0.13 1.01 0.35 1.46 3.38 -0.72 0.16 115.31 121.08 1nw2 h LEU 96 Ca -0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1nw2 h LEU 96 Cb 2.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1nw2 h LEU 96 CO 0.24 0.71 -0.17 -0.08 0.09 0.00 0.00 178.44 179.24 1nw2 h GLU 97 N 1.19 -0.45 -0.83 1.13 4.57 -0.88 0.15 114.58 119.46 1nw2 h GLU 97 Ca 0.35 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1nw2 h GLU 97 Cb -0.07 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1nw2 h GLU 97 CO -0.10 -0.25 0.54 0.00 -1.18 0.00 0.00 179.01 178.03 1nw2 h ALA 98 N 0.08 1.39 0.06 2.92 0.00 -0.92 -2.06 119.26 120.73 1nw2 h ALA 98 Ca -0.05 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1nw2 h ALA 98 Cb 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nw2 h ALA 98 CO 0.08 0.56 -1.41 1.96 0.00 0.00 0.00 179.25 180.44 1nw2 h GLN 99 N 1.13 0.14 0.00 0.00 1.08 -0.62 -3.43 115.11 113.41 1nw2 h GLN 99 Ca 0.30 -0.23 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1nw2 h GLN 99 Cb -0.11 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1nw2 h GLN 99 CO -0.06 0.97 -1.37 1.28 -0.95 0.00 0.00 178.83 178.70 1nw2 n LEU 100 N -3.35 0.00 -0.26 1.46 4.77 0.03 -4.70 117.00 114.96 1nw2 n LEU 100 Ca -0.12 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.89 1nw2 n LEU 100 Cb 1.02 0.10 0.15 0.00 -2.33 0.00 0.00 43.42 42.36 1nw2 n LEU 100 CO 0.49 0.10 1.08 0.00 -1.33 0.00 0.00 177.39 177.72 1nw2 h ALA 101 N 0.39 1.04 -0.37 -1.18 0.00 -1.44 -2.11 119.26 115.58 1nw2 h ALA 101 Ca -0.11 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1nw2 h ALA 101 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nw2 h ALA 101 CO 0.01 -0.04 -0.24 -0.44 0.00 0.00 0.00 179.25 178.53 1nw2 h ASP 102 N 0.62 0.77 0.73 0.00 3.32 -1.86 -2.55 116.42 117.45 1nw2 h ASP 102 Ca 0.37 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nw2 h ASP 102 Cb 0.41 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1nw2 h ASP 102 CO -0.28 0.99 0.00 0.52 -1.72 0.00 0.00 179.24 178.74 1nw2 n VAL 103 N -4.10 0.82 1.21 -1.35 0.31 -0.84 -2.68 118.33 111.70 1nw2 n VAL 103 Ca -0.00 0.18 0.13 0.00 -0.01 0.00 0.00 64.34 64.63 1nw2 n VAL 103 Cb 0.44 -1.01 0.28 0.00 -0.91 0.00 0.00 33.84 32.64 1nw2 n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1nw2 n LEU 104 N -1.93 1.77 0.00 7.52 4.77 -0.92 -5.14 117.00 123.07 1nw2 n LEU 104 Ca 0.03 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1nw2 n LEU 104 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nw2 n LEU 104 CO 0.19 0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.56