#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 2.47 0.09 0.00 -4.23 -1.26 -4.83 115.64 107.87 1nw2 s THR 2 Ca 0.00 -2.32 -0.07 0.00 -1.18 0.00 0.00 61.69 58.13 1nw2 s THR 2 Cb 0.00 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 1nw2 s THR 2 CO 0.00 -0.34 0.35 0.00 -0.54 0.00 0.00 174.62 174.09 1nw2 s MET 3 N -3.55 3.64 -0.30 3.99 0.23 -0.89 -4.91 119.30 117.52 1nw2 s MET 3 Ca 0.31 -0.02 -0.17 0.00 -1.03 0.00 0.00 55.69 54.78 1nw2 s MET 3 Cb -0.03 -2.96 -0.02 0.00 -1.53 0.00 0.00 34.83 30.29 1nw2 s MET 3 CO 0.16 0.55 0.47 0.99 -2.03 0.00 0.00 175.02 175.15 1nw2 s THR 4 N -1.48 5.08 0.04 3.16 2.01 -1.26 -0.85 115.64 122.35 1nw2 s THR 4 Ca 0.35 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.94 1nw2 s THR 4 Cb -0.13 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1nw2 s THR 4 CO 0.21 0.00 0.13 -0.76 -0.69 0.00 0.00 174.62 173.51 1nw2 s LEU 5 N 2.26 4.07 0.24 4.42 1.43 0.19 -4.95 118.68 126.34 1nw2 s LEU 5 Ca 0.18 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1nw2 s LEU 5 Cb -0.16 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1nw2 s LEU 5 CO 0.11 0.20 0.00 0.42 0.23 0.00 0.00 176.35 177.31 1nw2 s THR 6 N -1.38 1.05 0.54 5.49 -4.23 -1.26 -4.38 115.64 111.48 1nw2 s THR 6 Ca 0.30 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 59.01 1nw2 s THR 6 Cb -0.12 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.69 1nw2 s THR 6 CO 0.22 -0.30 2.06 0.44 -0.54 0.00 0.00 174.62 176.50 1nw2 h ASP 7 N 2.44 0.00 -0.04 3.99 3.32 -1.90 0.37 116.42 124.61 1nw2 h ASP 7 Ca -0.38 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 1nw2 h ASP 7 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1nw2 h ASP 7 CO 0.65 0.00 -0.20 0.00 -1.72 0.00 0.00 179.24 177.97 1nw2 h ALA 8 N 1.81 0.07 -0.06 3.45 0.00 -1.99 -3.36 119.26 119.19 1nw2 h ALA 8 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nw2 h ALA 8 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nw2 h ALA 8 CO -0.00 0.05 0.00 0.27 0.00 0.00 0.00 179.25 179.57 1nw2 n ASN 9 N -4.56 3.03 0.51 0.00 2.04 -0.85 -4.61 115.26 110.83 1nw2 n ASN 9 Ca -0.09 -2.00 -0.20 0.00 -0.44 0.00 0.00 54.58 51.85 1nw2 n ASN 9 Cb 0.44 -0.02 -0.10 0.00 -2.53 0.00 0.00 39.78 37.57 1nw2 n ASN 9 CO 0.00 0.00 0.00 0.15 -0.44 0.00 0.00 177.26 176.97 1nw2 h PHE 10 N 4.69 -1.20 -0.80 -2.53 3.57 -0.43 -2.29 116.94 117.96 1nw2 h PHE 10 Ca 0.00 -0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.67 1nw2 h PHE 10 Cb 1.00 0.40 -0.13 0.00 2.79 0.00 0.00 35.95 40.01 1nw2 h PHE 10 CO 0.02 -0.75 0.17 0.37 -2.23 0.00 0.00 178.31 175.89 1nw2 h GLN 11 N -1.30 0.21 -0.73 1.11 5.75 -1.81 0.13 115.11 118.46 1nw2 h GLN 11 Ca -0.13 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 1nw2 h GLN 11 Cb 0.99 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1nw2 h GLN 11 CO 0.22 0.14 0.22 1.96 -2.65 0.00 0.00 178.83 178.71 1nw2 h GLN 12 N 0.22 1.14 -0.86 1.69 4.20 -1.84 -3.11 115.11 116.54 1nw2 h GLN 12 Ca 0.47 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1nw2 h GLN 12 Cb 0.88 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1nw2 h GLN 12 CO -0.60 0.98 0.45 0.00 -0.67 0.00 0.00 178.83 178.98 1nw2 h ALA 13 N 1.14 1.17 -0.11 3.87 0.00 -0.16 -2.68 119.26 122.49 1nw2 h ALA 13 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nw2 h ALA 13 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1nw2 h ALA 13 CO -0.01 0.65 0.00 0.44 0.00 0.00 0.00 179.25 180.34 1nw2 n ILE 14 N -4.32 0.15 0.49 0.00 -5.35 -0.93 -3.66 119.36 105.74 1nw2 n ILE 14 Ca 0.09 -0.18 0.12 0.00 -0.27 0.00 0.00 62.75 62.51 1nw2 n ILE 14 Cb 0.12 0.05 0.09 0.00 -1.74 0.00 0.00 39.64 38.16 1nw2 n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nw2 n GLN 15 N -0.18 0.34 -0.71 6.28 1.13 -1.01 -3.21 117.38 120.03 1nw2 n GLN 15 Ca 0.10 0.06 -0.29 0.00 -1.94 0.00 0.00 57.00 54.93 1nw2 n GLN 15 Cb 0.16 -1.68 0.24 0.00 0.11 0.00 0.00 30.24 29.07 1nw2 n GLN 15 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1nw2 s GLY 16 N -3.78 1.52 0.03 1.08 0.00 -1.24 -4.88 107.32 100.06 1nw2 s GLY 16 Ca 0.04 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.15 1nw2 s GLY 16 CO 0.76 0.35 1.17 -0.55 0.00 0.00 0.00 173.10 174.83 1nw2 h ASP 17 N -2.65 0.62 -2.65 1.64 3.32 -1.94 -3.44 116.42 111.32 1nw2 h ASP 17 Ca -0.56 -0.70 -0.53 0.00 0.02 0.00 0.00 57.03 55.26 1nw2 h ASP 17 Cb 1.33 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 40.72 1nw2 h ASP 17 CO 0.47 1.23 1.03 -0.75 -1.72 0.00 0.00 179.24 179.49 1nw2 s LYS 18 N -3.45 4.19 0.44 3.56 2.20 -1.26 -4.76 119.74 120.66 1nw2 s LYS 18 Ca -0.13 2.37 -0.23 0.00 -0.36 0.00 0.00 55.97 57.62 1nw2 s LYS 18 Cb 0.05 -3.64 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1nw2 s LYS 18 CO 0.84 -0.76 0.89 -2.30 -0.36 0.00 0.00 175.35 173.65 1nw2 n PRO 19 N 5.76 1.10 -4.30 4.03 -0.02 -1.26 -4.72 135.00 135.59 1nw2 n PRO 19 Ca 0.16 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1nw2 n PRO 19 Cb 0.40 -1.92 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 1nw2 n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nw2 s VAL 20 N -1.35 2.00 -0.41 -1.45 1.01 -0.41 -1.20 120.40 118.58 1nw2 s VAL 20 Ca 0.65 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1nw2 s VAL 20 Cb -0.55 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1nw2 s VAL 20 CO 0.56 0.53 0.34 -0.22 0.00 0.00 0.00 175.10 176.32 1nw2 s LEU 21 N 1.15 4.99 -0.24 3.92 2.96 0.04 0.07 118.68 131.57 1nw2 s LEU 21 Ca 0.01 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.04 1nw2 s LEU 21 Cb -0.14 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1nw2 s LEU 21 CO -0.09 -0.48 0.13 -0.69 -1.32 0.00 0.00 176.35 173.90 1nw2 s VAL 22 N 1.84 5.06 -0.49 1.68 1.01 0.49 -0.17 120.40 129.82 1nw2 s VAL 22 Ca 0.08 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1nw2 s VAL 22 Cb -0.18 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1nw2 s VAL 22 CO 0.11 0.34 0.56 -0.62 0.00 0.00 0.00 175.10 175.50 1nw2 s ASP 23 N 1.21 6.21 -0.38 3.32 3.68 0.10 -1.36 116.67 129.46 1nw2 s ASP 23 Ca 0.06 -0.93 -0.24 0.00 2.13 0.00 0.00 52.55 53.57 1nw2 s ASP 23 Cb -0.14 -2.26 0.01 0.00 -1.45 0.00 0.00 42.92 39.08 1nw2 s ASP 23 CO 0.05 -0.81 0.81 -0.36 0.13 0.00 0.00 175.17 175.00 1nw2 s PHE 24 N 2.40 3.08 0.20 -5.34 0.40 0.49 -0.95 117.98 118.26 1nw2 s PHE 24 Ca 0.13 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 57.03 1nw2 s PHE 24 Cb -0.20 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 39.79 1nw2 s PHE 24 CO 0.11 -0.79 -0.02 1.67 0.70 0.00 0.00 175.22 176.89 1nw2 s TRP 25 N 3.21 1.40 0.05 0.36 1.48 -0.91 -2.17 118.94 122.35 1nw2 s TRP 25 Ca 0.32 -0.92 0.00 0.00 -1.06 0.00 0.00 56.10 54.45 1nw2 s TRP 25 Cb -0.13 -0.79 -0.03 0.00 -1.16 0.00 0.00 33.47 31.36 1nw2 s TRP 25 CO 0.18 -0.07 -0.04 0.00 -4.06 0.00 0.00 176.95 172.96 1nw2 s ALA 26 N -3.47 0.46 0.49 2.67 0.00 -1.26 -1.02 121.76 119.63 1nw2 s ALA 26 Ca 0.25 -0.93 0.14 0.00 0.00 0.00 0.00 51.96 51.42 1nw2 s ALA 26 Cb 0.05 0.17 1.17 0.00 0.00 0.00 0.00 23.12 24.51 1nw2 s ALA 26 CO 0.06 -0.21 2.11 0.00 0.00 0.00 0.00 175.76 177.72 1nw2 h ALA 27 N 3.91 1.92 -0.03 0.00 0.00 -2.01 -1.18 119.26 121.86 1nw2 h ALA 27 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nw2 h ALA 27 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nw2 h ALA 27 CO 0.52 0.07 0.00 -2.67 0.00 0.00 0.00 179.25 177.17 1nw2 n TRP 28 N -4.50 0.04 -1.91 0.00 4.27 -1.26 -4.92 117.44 109.16 1nw2 n TRP 28 Ca -0.02 -0.02 -0.41 0.00 -3.89 0.00 0.00 57.50 53.16 1nw2 n TRP 28 Cb 0.11 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.04 1nw2 n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nw2 n GLY 30 N 2.11 -1.75 0.00 0.00 0.00 -1.26 -4.19 105.19 100.09 1nw2 n GLY 30 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1nw2 n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nw2 n PRO 31 N -1.75 0.51 -0.23 1.61 -0.04 -1.26 -4.31 135.00 129.53 1nw2 n PRO 31 Ca 0.00 0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1nw2 n PRO 31 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.04 0.83 -0.72 0.00 3.08 -1.83 -0.73 114.38 116.05 1nw2 h ARG 33 Ca 0.28 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1nw2 h ARG 33 Cb -0.11 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1nw2 h ARG 33 CO -0.06 1.06 0.35 1.98 -1.07 0.00 0.00 179.97 182.23 1nw2 h MET 34 N 0.68 1.01 0.00 0.04 4.05 -1.57 -2.40 114.93 116.74 1nw2 h MET 34 Ca 0.06 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1nw2 h MET 34 Cb 0.93 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1nw2 h MET 34 CO 0.09 0.77 -0.39 0.52 0.23 0.00 0.00 176.91 178.13 1nw2 h MET 35 N 1.01 0.00 -0.26 0.39 2.86 0.17 -3.37 114.93 115.72 1nw2 h MET 35 Ca 0.25 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.92 1nw2 h MET 35 Cb 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1nw2 h MET 35 CO -0.03 0.39 -0.43 0.00 1.06 0.00 0.00 176.91 177.89 1nw2 h ALA 36 N 1.61 -0.71 0.00 6.32 0.00 -0.60 -0.29 119.26 125.59 1nw2 h ALA 36 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nw2 h ALA 36 Cb 0.97 1.01 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1nw2 h ALA 36 CO 0.05 -0.90 0.00 -1.00 0.00 0.00 0.00 179.25 177.40 1nw2 h PRO 37 N -0.35 0.00 -0.01 0.00 0.13 -1.73 -2.14 132.00 127.90 1nw2 h PRO 37 Ca 0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 1nw2 h PRO 37 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1nw2 h PRO 37 CO -0.43 0.00 -0.26 0.28 -0.23 0.00 0.00 178.00 177.35 1nw2 h VAL 38 N 0.00 1.51 -0.03 1.56 2.07 -1.31 -2.69 116.25 117.36 1nw2 h VAL 38 Ca 0.00 -1.88 -0.10 0.00 0.82 0.00 0.00 66.70 65.54 1nw2 h VAL 38 Cb 0.12 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1nw2 h VAL 38 CO 0.00 0.52 -0.45 -0.07 0.02 0.00 0.00 177.57 177.59 1nw2 h LEU 39 N -0.43 0.08 0.46 2.57 3.38 -0.97 -1.30 115.31 119.09 1nw2 h LEU 39 Ca -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1nw2 h LEU 39 Cb 0.99 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1nw2 h LEU 39 CO 0.05 0.52 -0.22 -0.08 0.09 0.00 0.00 178.44 178.80 1nw2 h GLU 40 N 0.06 -0.59 -0.53 1.13 4.22 -1.44 -0.07 114.58 117.36 1nw2 h GLU 40 Ca 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 1nw2 h GLU 40 Cb 0.82 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1nw2 h GLU 40 CO 0.06 -0.32 0.19 1.49 -2.18 0.00 0.00 179.01 178.26 1nw2 h GLU 41 N -0.78 0.78 -0.26 1.92 4.81 -1.42 -1.96 114.58 117.68 1nw2 h GLU 41 Ca -0.06 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1nw2 h GLU 41 Cb 0.55 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1nw2 h GLU 41 CO 0.10 0.66 0.12 0.35 -0.73 0.00 0.00 179.01 179.52 1nw2 h PHE 42 N 0.77 0.38 -0.93 0.92 3.57 -1.06 0.07 116.94 120.66 1nw2 h PHE 42 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1nw2 h PHE 42 Cb 0.19 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1nw2 h PHE 42 CO 0.01 0.36 0.59 0.00 -2.23 0.00 0.00 178.31 177.04 1nw2 h ALA 43 N 0.98 1.28 -0.23 2.41 0.00 -0.66 -1.95 119.26 121.09 1nw2 h ALA 43 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1nw2 h ALA 43 Cb 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1nw2 h ALA 43 CO -0.01 0.64 -0.34 0.93 0.00 0.00 0.00 179.25 180.47 1nw2 h GLU 44 N 1.28 0.49 -0.01 0.00 5.08 -0.93 -1.59 114.58 118.90 1nw2 h GLU 44 Ca 0.34 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1nw2 h GLU 44 Cb -0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1nw2 h GLU 44 CO -0.07 0.77 -0.05 0.00 -1.00 0.00 0.00 179.01 178.66 1nw2 n ALA 45 N -2.49 2.69 -2.35 3.43 0.00 -0.03 -3.87 120.51 117.88 1nw2 n ALA 45 Ca -0.01 -0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.10 1nw2 n ALA 45 Cb 0.46 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1nw2 n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nw2 n HIS 46 N -0.32 0.00 -0.33 0.00 8.25 -0.78 -4.93 115.22 117.12 1nw2 n HIS 46 Ca 0.18 -0.45 0.18 0.00 -0.26 0.00 0.00 57.72 57.37 1nw2 n HIS 46 Cb 0.30 -0.14 0.42 0.00 1.12 0.00 0.00 29.99 31.69 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 0.80 1.95 -0.01 -1.41 0.00 -1.40 -0.28 119.26 118.91 1nw2 h ALA 47 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nw2 h ALA 47 Cb 1.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1nw2 h ALA 47 CO 0.08 -0.34 -0.06 -0.40 0.00 0.00 0.00 179.25 178.52 1nw2 n ASP 48 N -4.71 0.61 -0.00 0.00 5.75 -1.26 -3.98 116.55 112.95 1nw2 n ASP 48 Ca 0.24 -0.88 0.01 0.00 -0.01 0.00 0.00 54.79 54.15 1nw2 n ASP 48 Cb 0.72 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 1nw2 n ASP 48 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nw2 n LYS 49 N -0.71 3.42 -3.56 0.11 5.02 -0.18 -5.08 118.16 117.19 1nw2 n LYS 49 Ca 0.18 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 1nw2 n LYS 49 Cb 0.26 -0.83 -0.04 0.00 -0.02 0.00 0.00 35.03 34.40 1nw2 n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nw2 s VAL 50 N -1.68 0.00 -0.19 -0.18 0.11 -0.82 -4.31 120.40 113.32 1nw2 s VAL 50 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1nw2 s VAL 50 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1nw2 s VAL 50 CO 0.12 0.00 0.01 0.42 -3.33 0.00 0.00 175.10 172.32 1nw2 s THR 51 N -1.72 4.16 -0.23 5.04 -4.23 -0.34 -4.46 115.64 113.86 1nw2 s THR 51 Ca 0.01 -0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 1nw2 s THR 51 Cb -0.01 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 1nw2 s THR 51 CO -0.01 0.44 0.25 -0.69 -0.54 0.00 0.00 174.62 174.06 1nw2 s VAL 52 N 0.81 5.29 0.19 2.29 1.01 -1.26 -0.78 120.40 127.95 1nw2 s VAL 52 Ca 0.01 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1nw2 s VAL 52 Cb -0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1nw2 s VAL 52 CO 0.02 0.30 -0.10 0.00 0.00 0.00 0.00 175.10 175.32 1nw2 s ALA 53 N 1.25 1.74 -0.03 5.51 0.00 0.77 -2.10 121.76 128.90 1nw2 s ALA 53 Ca 0.12 -1.61 0.06 0.00 0.00 0.00 0.00 51.96 50.52 1nw2 s ALA 53 Cb -0.14 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1nw2 s ALA 53 CO 0.06 -0.07 -0.20 0.15 0.00 0.00 0.00 175.76 175.71 1nw2 s LYS 54 N -3.73 1.77 -0.17 0.00 1.02 -0.03 0.02 119.74 118.61 1nw2 s LYS 54 Ca 0.21 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1nw2 s LYS 54 Cb 0.02 -1.63 0.04 0.00 -0.52 0.00 0.00 37.83 35.74 1nw2 s LYS 54 CO 0.04 0.38 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.64 1nw2 s LEU 55 N -0.30 1.65 -0.30 3.17 0.20 -0.13 -0.64 118.68 122.33 1nw2 s LEU 55 Ca 0.03 -0.71 -0.29 0.00 0.69 0.00 0.00 54.13 53.85 1nw2 s LEU 55 Cb -0.09 -0.90 0.01 0.00 -0.43 0.00 0.00 46.19 44.77 1nw2 s LEU 55 CO 0.00 -0.20 1.22 0.21 -0.29 0.00 0.00 176.35 177.30 1nw2 s ASN 56 N 1.63 6.78 0.40 3.68 3.84 -1.26 -2.15 114.94 127.86 1nw2 s ASN 56 Ca 0.00 1.17 0.18 0.00 0.21 0.00 0.00 52.86 54.42 1nw2 s ASN 56 Cb -0.16 -2.54 0.84 0.00 -0.55 0.00 0.00 41.25 38.84 1nw2 s ASN 56 CO -0.08 -1.00 1.83 -0.37 -2.79 0.00 0.00 177.10 174.70 1nw2 h VAL 57 N 5.86 0.97 0.00 -5.21 -1.51 -1.37 -2.03 116.25 112.95 1nw2 h VAL 57 Ca -0.24 -1.25 -0.01 0.00 -1.23 0.00 0.00 66.70 63.97 1nw2 h VAL 57 Cb 1.08 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1nw2 h VAL 57 CO 1.03 0.32 -0.04 0.44 -1.23 0.00 0.00 177.57 178.10 1nw2 h ASP 58 N 0.00 0.00 0.00 4.19 3.32 -1.92 -3.07 116.42 118.94 1nw2 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nw2 h ASP 58 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1nw2 h ASP 58 CO 0.04 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.98 1nw2 n GLU 59 N -3.41 0.98 -3.27 3.56 1.02 -1.07 -4.82 120.64 113.63 1nw2 n GLU 59 Ca -0.02 -0.37 -0.25 0.00 -0.02 0.00 0.00 57.16 56.50 1nw2 n GLU 59 Cb 0.15 -0.87 -0.07 0.00 -0.02 0.00 0.00 31.44 30.63 1nw2 n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nw2 n ASN 60 N -0.25 1.62 0.24 1.62 3.02 -0.79 -4.87 115.26 115.85 1nw2 n ASN 60 Ca 0.00 -3.00 0.07 0.00 -0.03 0.00 0.00 54.58 51.62 1nw2 n ASN 60 Cb 0.00 -0.65 0.57 0.00 -0.61 0.00 0.00 39.78 39.10 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 4.00 0.00 0.65 3.52 0.11 -1.87 -3.15 132.00 135.25 1nw2 h PRO 61 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1nw2 h PRO 61 Cb 0.79 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.91 1nw2 h PRO 61 CO 0.61 0.13 -0.31 0.93 -0.21 0.00 0.00 178.00 179.15 1nw2 h GLU 62 N 0.00 -0.83 -0.96 1.05 4.39 -1.93 -1.58 114.58 114.71 1nw2 h GLU 62 Ca -0.00 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1nw2 h GLU 62 Cb 0.23 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1nw2 h GLU 62 CO 0.02 -0.53 0.63 1.15 -1.16 0.00 0.00 179.01 179.12 1nw2 h THR 63 N -1.16 1.21 -0.07 1.13 2.02 -1.92 -0.95 112.91 113.16 1nw2 h THR 63 Ca -0.09 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1nw2 h THR 63 Cb 0.69 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1nw2 h THR 63 CO 0.15 0.23 -0.07 0.74 0.37 0.00 0.00 175.52 176.93 1nw2 h THR 64 N 1.25 0.79 -0.71 3.16 2.02 -1.57 -2.23 112.91 115.63 1nw2 h THR 64 Ca 0.37 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.50 1nw2 h THR 64 Cb -0.08 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1nw2 h THR 64 CO -0.10 0.00 0.26 -1.28 0.37 0.00 0.00 175.52 174.77 1nw2 h SER 65 N -0.09 0.99 -0.68 4.18 0.87 -0.92 -2.79 113.55 115.11 1nw2 h SER 65 Ca 0.05 -0.18 0.15 0.00 -1.23 0.00 0.00 61.79 60.58 1nw2 h SER 65 Cb 0.17 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1nw2 h SER 65 CO -0.13 0.91 0.46 1.56 -0.53 0.00 0.00 176.83 179.11 1nw2 h GLN 66 N 1.02 0.25 -0.42 2.24 4.20 -0.60 -1.65 115.11 120.16 1nw2 h GLN 66 Ca 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1nw2 h GLN 66 Cb 0.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1nw2 h GLN 66 CO -0.02 0.17 0.00 1.19 -0.67 0.00 0.00 178.83 179.50 1nw2 n PHE 67 N -4.44 1.34 -3.01 2.96 3.72 -0.96 -4.98 117.46 112.09 1nw2 n PHE 67 Ca 0.13 -0.77 -0.21 0.00 -0.05 0.00 0.00 57.45 56.55 1nw2 n PHE 67 Cb 0.57 -0.35 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.13 -0.50 3.69 1.37 0.00 -0.62 -4.91 105.19 104.36 1nw2 n GLY 68 Ca 0.23 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1nw2 n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nw2 n ILE 69 N -4.01 1.29 0.03 -0.61 2.08 -1.12 -4.88 119.36 112.14 1nw2 n ILE 69 Ca -0.09 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 62.90 1nw2 n ILE 69 Cb 0.59 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 1nw2 n ILE 69 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1nw2 n MET 70 N 1.59 0.00 -3.27 0.38 2.81 -1.26 -4.96 117.12 112.41 1nw2 n MET 70 Ca 0.09 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.62 1nw2 n MET 70 Cb 0.34 -0.26 -0.06 0.00 -0.71 0.00 0.00 33.22 32.53 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 -5.16 6.92 -0.12 7.83 0.01 -1.26 -5.07 113.70 116.84 1nw2 s SER 71 Ca 0.00 1.20 0.01 0.00 1.31 0.00 0.00 55.95 58.47 1nw2 s SER 71 Cb 0.00 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.91 1nw2 s SER 71 CO 0.00 0.10 -0.13 -0.63 0.41 0.00 0.00 173.24 172.99 1nw2 s ILE 72 N -1.44 1.40 0.52 1.44 -1.09 -1.26 -3.46 121.20 117.31 1nw2 s ILE 72 Ca 0.38 -0.56 -0.15 0.00 -2.23 0.00 0.00 60.65 58.09 1nw2 s ILE 72 Cb -0.16 -1.31 -0.07 0.00 -1.58 0.00 0.00 42.46 39.34 1nw2 s ILE 72 CO 0.20 0.43 0.98 -2.16 -1.23 0.00 0.00 174.94 173.15 1nw2 s PRO 73 N 1.23 3.88 -0.05 2.79 0.04 -1.26 -4.70 135.00 136.93 1nw2 s PRO 73 Ca -0.02 0.89 0.02 0.00 0.04 0.00 0.00 61.00 61.93 1nw2 s PRO 73 Cb -0.14 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1nw2 s PRO 73 CO -0.05 -0.30 -0.11 0.99 0.04 0.00 0.00 177.00 177.57 1nw2 s THR 74 N -2.70 0.97 -0.12 1.26 2.01 -0.92 -1.27 115.64 114.87 1nw2 s THR 74 Ca 0.58 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1nw2 s THR 74 Cb -0.10 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1nw2 s THR 74 CO 0.35 0.31 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.68 1nw2 s LEU 75 N 0.50 2.61 -0.08 4.42 1.43 0.53 -0.38 118.68 127.71 1nw2 s LEU 75 Ca -0.10 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1nw2 s LEU 75 Cb -0.13 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1nw2 s LEU 75 CO 0.02 0.17 -0.13 -0.63 0.23 0.00 0.00 176.35 176.02 1nw2 s ILE 76 N 0.29 1.25 -0.26 -0.59 1.01 -0.46 -0.68 121.20 121.75 1nw2 s ILE 76 Ca -0.11 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1nw2 s ILE 76 Cb -0.16 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1nw2 s ILE 76 CO 0.06 0.39 0.32 -0.22 0.00 0.00 0.00 174.94 175.49 1nw2 s LEU 77 N 0.85 4.05 -0.15 2.97 2.96 0.10 -0.38 118.68 129.08 1nw2 s LEU 77 Ca -0.11 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1nw2 s LEU 77 Cb -0.15 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1nw2 s LEU 77 CO 0.01 -0.13 0.09 -0.36 -1.32 0.00 0.00 176.35 174.65 1nw2 s PHE 78 N 1.86 3.38 -0.05 5.38 0.08 0.11 -0.24 117.98 128.49 1nw2 s PHE 78 Ca 0.13 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.45 1nw2 s PHE 78 Cb -0.16 -2.00 0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1nw2 s PHE 78 CO 0.10 0.42 0.11 0.15 -0.10 0.00 0.00 175.22 175.89 1nw2 s LYS 79 N -0.29 0.02 -1.34 0.44 1.02 -0.01 -1.29 119.74 118.30 1nw2 s LYS 79 Ca 0.09 0.36 -0.01 0.00 0.02 0.00 0.00 55.97 56.43 1nw2 s LYS 79 Cb -0.12 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1nw2 s LYS 79 CO 0.01 -0.22 0.17 0.41 -0.92 0.00 0.00 175.35 174.80 1nw2 n GLY 80 N 4.57 -0.29 2.49 -3.33 0.00 -1.26 -2.00 105.19 105.38 1nw2 n GLY 80 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.14 0.35 3.23 -0.02 0.00 -1.20 -5.00 105.19 101.41 1nw2 n GLY 81 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.71 1.01 0.03 1.61 0.41 -0.85 -5.03 118.70 115.17 1nw2 s GLU 82 Ca 0.00 -1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 53.21 1nw2 s GLU 82 Cb 0.00 -1.16 -0.05 0.00 -1.78 0.00 0.00 34.13 31.14 1nw2 s GLU 82 CO 0.00 0.27 1.29 -2.14 -0.49 0.00 0.00 175.26 174.19 1nw2 s PRO 83 N -1.75 4.35 -0.00 0.39 0.02 -1.26 -0.83 135.00 135.92 1nw2 s PRO 83 Ca 0.03 1.86 0.09 0.00 0.02 0.00 0.00 61.00 63.00 1nw2 s PRO 83 Cb -0.10 -3.45 -0.11 0.00 0.02 0.00 0.00 34.50 30.86 1nw2 s PRO 83 CO 0.03 -0.43 0.31 1.33 -0.33 0.00 0.00 177.00 177.92 1nw2 n VAL 84 N 4.31 0.00 -3.59 3.83 0.24 0.67 -4.92 118.33 118.87 1nw2 n VAL 84 Ca 0.11 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1nw2 n VAL 84 Cb 0.45 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 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 -2.09 0.81 -0.00 7.34 2.20 -1.20 -5.01 119.74 121.79 1nw2 s LYS 85 Ca 0.01 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1nw2 s LYS 85 Cb 0.06 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1nw2 s LYS 85 CO 0.36 -0.18 -0.05 -1.14 -0.36 0.00 0.00 175.35 173.98 1nw2 s GLN 86 N -0.42 0.40 0.03 4.03 0.74 -1.26 -0.72 119.66 122.46 1nw2 s GLN 86 Ca -0.03 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.27 1nw2 s GLN 86 Cb -0.03 -0.39 -0.02 0.00 1.10 0.00 0.00 33.01 33.67 1nw2 s GLN 86 CO 0.03 0.10 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.16 1nw2 s LEU 87 N -0.09 2.14 0.04 3.68 1.43 0.14 -4.98 118.68 121.04 1nw2 s LEU 87 Ca 0.02 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1nw2 s LEU 87 Cb -0.02 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1nw2 s LEU 87 CO -0.00 0.17 -0.25 -0.63 0.23 0.00 0.00 176.35 175.87 1nw2 s ILE 88 N -0.72 2.28 0.03 -0.59 -1.09 -1.26 -0.35 121.20 119.50 1nw2 s ILE 88 Ca 0.07 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 1nw2 s ILE 88 Cb -0.08 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.90 1nw2 s ILE 88 CO 0.01 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1nw2 n GLY 89 N 1.75 -2.20 3.73 6.18 0.00 -0.40 -4.87 105.19 109.37 1nw2 n GLY 89 Ca -0.17 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.13 2.70 -3.87 1.61 9.36 -1.26 -4.77 117.16 119.80 1nw2 n TYR 90 Ca 0.00 0.29 -0.30 0.00 3.32 0.00 0.00 57.90 61.21 1nw2 n TYR 90 Cb 0.05 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.04 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 -0.44 1.14 1.03 2.98 -1.52 -1.26 -5.09 119.66 116.49 1nw2 s GLN 91 Ca 0.65 -1.31 -0.12 0.00 -1.95 0.00 0.00 55.36 52.62 1nw2 s GLN 91 Cb -0.53 -2.51 0.17 0.00 -0.22 0.00 0.00 33.01 29.91 1nw2 s GLN 91 CO 0.48 -0.89 0.83 -2.30 -0.25 0.00 0.00 175.29 173.17 1nw2 n PRO 92 N 4.62 -1.19 -0.05 2.91 -0.02 -1.26 -4.59 135.00 135.42 1nw2 n PRO 92 Ca -0.02 -0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.05 1nw2 n PRO 92 Cb 0.43 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1nw2 n PRO 92 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1nw2 h LYS 93 N -2.11 -0.40 0.00 -0.52 3.64 -1.99 -1.43 116.57 113.76 1nw2 h LYS 93 Ca -0.50 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1nw2 h LYS 93 Cb 1.30 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1nw2 h LYS 93 CO 0.42 -0.27 -0.12 0.93 -2.27 0.00 0.00 179.45 178.14 1nw2 h GLU 94 N -0.42 0.00 -0.05 1.90 5.08 -1.99 -1.97 114.58 117.13 1nw2 h GLU 94 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1nw2 h GLU 94 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1nw2 h GLU 94 CO -0.46 0.12 -0.32 0.37 -1.00 0.00 0.00 179.01 177.73 1nw2 h GLN 95 N 0.00 0.30 -0.63 2.33 5.75 -1.75 -1.48 115.11 119.64 1nw2 h GLN 95 Ca -0.00 -0.26 0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1nw2 h GLN 95 Cb 0.42 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.99 1nw2 h GLN 95 CO 0.02 0.92 0.36 -0.07 -2.65 0.00 0.00 178.83 177.41 1nw2 h LEU 96 N -0.22 0.56 -0.20 -2.39 3.38 -0.95 0.72 115.31 116.21 1nw2 h LEU 96 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nw2 h LEU 96 Cb 0.99 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1nw2 h LEU 96 CO 0.07 0.38 0.12 -0.08 0.09 0.00 0.00 178.44 179.01 1nw2 h GLU 97 N 0.69 0.27 -0.66 1.13 4.57 -1.37 -1.79 114.58 117.42 1nw2 h GLU 97 Ca 0.27 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.34 1nw2 h GLU 97 Cb 0.10 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1nw2 h GLU 97 CO -0.14 0.24 0.11 0.00 -1.18 0.00 0.00 179.01 178.04 1nw2 h ALA 98 N 1.02 0.88 -0.01 2.92 0.00 -0.84 -1.16 119.26 122.07 1nw2 h ALA 98 Ca 0.07 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1nw2 h ALA 98 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1nw2 h ALA 98 CO -0.01 0.65 -0.75 1.96 0.00 0.00 0.00 179.25 181.10 1nw2 h GLN 99 N 1.02 0.09 0.00 0.00 1.08 -0.80 -3.32 115.11 113.17 1nw2 h GLN 99 Ca 0.20 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1nw2 h GLN 99 Cb 0.44 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1nw2 h GLN 99 CO 0.01 0.79 -1.33 1.28 -0.95 0.00 0.00 178.83 178.64 1nw2 n LEU 100 N -3.70 0.54 -0.30 1.46 4.77 -0.68 -4.46 117.00 114.63 1nw2 n LEU 100 Ca -0.02 -0.15 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1nw2 n LEU 100 Cb 0.72 -0.04 0.28 0.00 -2.33 0.00 0.00 43.42 42.05 1nw2 n LEU 100 CO 0.45 0.09 1.05 0.00 -1.33 0.00 0.00 177.39 177.64 1nw2 h ALA 101 N 2.50 1.36 -0.01 -1.18 0.00 -1.31 -0.37 119.26 120.25 1nw2 h ALA 101 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nw2 h ALA 101 Cb 0.75 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nw2 h ALA 101 CO 0.00 -0.29 -0.16 -0.40 0.00 0.00 0.00 179.25 178.40 1nw2 n ASP 102 N -5.02 0.96 -0.16 0.00 5.75 -1.26 -3.86 116.55 112.96 1nw2 n ASP 102 Ca 0.20 -0.94 0.06 0.00 -0.01 0.00 0.00 54.79 54.10 1nw2 n ASP 102 Cb 0.59 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 1nw2 n ASP 102 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1nw2 n VAL 103 N -0.57 0.00 -1.23 2.12 0.24 -0.24 -4.33 118.33 114.33 1nw2 n VAL 103 Ca 0.14 -0.31 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 1nw2 n VAL 103 Cb 0.33 1.08 0.21 0.00 -1.47 0.00 0.00 33.84 33.99 1nw2 n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nw2 n LEU 104 N -0.67 6.04 0.00 1.34 4.77 -0.65 -5.09 117.00 122.73 1nw2 n LEU 104 Ca 0.04 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 1nw2 n LEU 104 Cb 0.23 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1nw2 n LEU 104 CO 0.19 1.03 0.00 1.67 -1.33 0.00 0.00 177.39 178.95