#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 1.09 0.71 0.00 -1.32 -1.26 -4.45 115.64 110.41 1nw2 s THR 2 Ca 0.00 -0.39 -0.09 0.00 -1.21 0.00 0.00 61.69 59.99 1nw2 s THR 2 Cb 0.00 -1.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1nw2 s THR 2 CO 0.00 0.32 1.06 0.00 -2.21 0.00 0.00 174.62 173.79 1nw2 s MET 3 N 1.67 2.50 -0.21 7.08 0.00 -0.69 -4.82 119.30 124.83 1nw2 s MET 3 Ca 0.04 0.12 -0.07 0.00 0.00 0.00 0.00 55.69 55.78 1nw2 s MET 3 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 34.83 32.58 1nw2 s MET 3 CO -0.08 -1.15 0.07 0.99 0.00 0.00 0.00 175.02 174.84 1nw2 s THR 4 N -3.32 4.60 0.13 3.16 2.01 -1.26 -0.24 115.64 120.72 1nw2 s THR 4 Ca 0.59 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.54 1nw2 s THR 4 Cb -0.11 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1nw2 s THR 4 CO 0.48 0.40 0.09 -0.76 -0.69 0.00 0.00 174.62 174.14 1nw2 s LEU 5 N 0.97 3.73 0.19 4.42 1.02 0.47 -4.91 118.68 124.56 1nw2 s LEU 5 Ca 0.04 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.08 1nw2 s LEU 5 Cb -0.14 -2.38 -0.05 0.00 0.02 0.00 0.00 46.19 43.65 1nw2 s LEU 5 CO 0.03 0.12 0.04 0.42 0.02 0.00 0.00 176.35 176.98 1nw2 s THR 6 N -1.58 0.49 0.53 5.49 -4.23 -1.26 -4.49 115.64 110.59 1nw2 s THR 6 Ca 0.30 -1.97 0.22 0.00 -1.18 0.00 0.00 61.69 59.05 1nw2 s THR 6 Cb -0.11 -2.25 0.35 0.00 1.34 0.00 0.00 72.50 71.83 1nw2 s THR 6 CO 0.22 -0.34 2.06 0.44 -0.54 0.00 0.00 174.62 176.46 1nw2 h ASP 7 N 2.65 0.00 -0.26 3.99 3.32 -1.89 -1.13 116.42 123.11 1nw2 h ASP 7 Ca -0.37 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 1nw2 h ASP 7 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1nw2 h ASP 7 CO 0.61 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 178.10 1nw2 h ALA 8 N 1.84 0.35 -0.35 3.45 0.00 -1.99 -3.32 119.26 119.23 1nw2 h ALA 8 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nw2 h ALA 8 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nw2 h ALA 8 CO -0.00 0.11 0.00 0.27 0.00 0.00 0.00 179.25 179.63 1nw2 n ASN 9 N -4.59 3.10 0.33 0.00 0.23 -1.00 -4.71 115.26 108.63 1nw2 n ASN 9 Ca -0.04 -1.90 -0.17 0.00 -0.53 0.00 0.00 54.58 51.94 1nw2 n ASN 9 Cb 0.27 -0.23 -0.09 0.00 -2.08 0.00 0.00 39.78 37.65 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 3.35 -1.23 -0.64 -2.53 3.57 -1.32 -2.34 116.94 115.79 1nw2 h PHE 10 Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1nw2 h PHE 10 Cb 0.82 0.46 -0.12 0.00 2.79 0.00 0.00 35.95 39.90 1nw2 h PHE 10 CO 0.23 -0.64 -0.20 1.96 -2.23 0.00 0.00 178.31 177.42 1nw2 h GLN 11 N -1.01 -0.04 -0.47 1.11 1.08 -1.84 -0.72 115.11 113.22 1nw2 h GLN 11 Ca -0.08 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1nw2 h GLN 11 Cb 0.84 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 1nw2 h GLN 11 CO 0.03 -0.03 0.14 1.96 -0.95 0.00 0.00 178.83 179.98 1nw2 h GLN 12 N -0.04 0.29 -0.99 1.46 1.08 -1.87 -2.20 115.11 112.83 1nw2 h GLN 12 Ca 0.30 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.56 1nw2 h GLN 12 Cb 0.50 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 1nw2 h GLN 12 CO -0.68 0.19 0.63 0.00 -0.95 0.00 0.00 178.83 178.02 1nw2 h ALA 13 N 1.33 1.41 -0.01 3.87 0.00 -0.58 -1.29 119.26 123.99 1nw2 h ALA 13 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1nw2 h ALA 13 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nw2 h ALA 13 CO -0.26 0.35 0.00 0.44 0.00 0.00 0.00 179.25 179.78 1nw2 n ILE 14 N -4.56 0.01 1.01 0.00 -5.35 -0.85 -2.07 119.36 107.54 1nw2 n ILE 14 Ca 0.16 -0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.69 1nw2 n ILE 14 Cb 0.24 -0.25 0.06 0.00 -1.74 0.00 0.00 39.64 37.95 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 -0.70 0.05 -0.93 6.28 1.13 -0.50 -3.20 117.38 119.51 1nw2 n GLN 15 Ca 0.21 -0.04 -0.32 0.00 -1.94 0.00 0.00 57.00 54.91 1nw2 n GLN 15 Cb 0.15 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.04 1nw2 n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nw2 n GLY 16 N 1.49 -2.66 0.33 1.08 0.00 -0.88 -4.92 105.19 99.64 1nw2 n GLY 16 Ca 0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1nw2 n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nw2 h ASP 17 N -1.25 -0.67 -1.71 1.61 3.32 -1.94 -3.47 116.42 112.31 1nw2 h ASP 17 Ca -0.34 -0.02 -0.43 0.00 0.02 0.00 0.00 57.03 56.27 1nw2 h ASP 17 Cb 1.17 0.17 0.02 0.00 0.22 0.00 0.00 39.33 40.92 1nw2 h ASP 17 CO 0.19 -0.30 -0.23 -1.59 -1.72 0.00 0.00 179.24 175.59 1nw2 s LYS 18 N -4.59 2.83 0.47 3.56 -2.85 -1.26 -4.97 119.74 112.94 1nw2 s LYS 18 Ca -0.14 -1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 53.49 1nw2 s LYS 18 Cb 0.02 -2.72 -0.08 0.00 -2.06 0.00 0.00 37.83 32.99 1nw2 s LYS 18 CO 0.44 -0.29 1.25 -2.30 0.10 0.00 0.00 175.35 174.55 1nw2 n PRO 19 N -1.91 1.75 -4.49 1.78 -0.02 -1.26 -4.72 135.00 126.13 1nw2 n PRO 19 Ca 0.07 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 1nw2 n PRO 19 Cb 0.59 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.26 1.84 -0.38 -1.45 1.01 -0.95 0.14 120.40 119.35 1nw2 s VAL 20 Ca 0.65 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1nw2 s VAL 20 Cb -0.48 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1nw2 s VAL 20 CO 0.55 0.51 0.26 -0.22 0.00 0.00 0.00 175.10 176.20 1nw2 s LEU 21 N 0.98 4.84 -0.25 3.92 2.96 0.76 -0.06 118.68 131.82 1nw2 s LEU 21 Ca -0.05 -0.74 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 1nw2 s LEU 21 Cb -0.15 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1nw2 s LEU 21 CO -0.04 -0.36 0.16 -0.69 -1.32 0.00 0.00 176.35 174.10 1nw2 s VAL 22 N 1.68 5.35 -0.42 1.68 1.01 0.41 -1.35 120.40 128.75 1nw2 s VAL 22 Ca 0.05 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 1nw2 s VAL 22 Cb -0.18 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1nw2 s VAL 22 CO 0.10 0.33 0.43 -0.62 0.00 0.00 0.00 175.10 175.33 1nw2 s ASP 23 N 1.17 6.18 -0.40 3.32 2.15 -0.25 -1.24 116.67 127.60 1nw2 s ASP 23 Ca 0.07 -0.73 -0.25 0.00 0.43 0.00 0.00 52.55 52.07 1nw2 s ASP 23 Cb -0.14 -2.22 0.02 0.00 -0.30 0.00 0.00 42.92 40.28 1nw2 s ASP 23 CO 0.06 -0.58 0.91 -0.36 -0.17 0.00 0.00 175.17 175.03 1nw2 s PHE 24 N 2.08 3.02 0.34 -5.34 0.40 -0.14 -0.95 117.98 117.39 1nw2 s PHE 24 Ca 0.11 0.60 0.06 0.00 -0.60 0.00 0.00 56.93 57.10 1nw2 s PHE 24 Cb -0.18 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.57 1nw2 s PHE 24 CO 0.13 -0.93 0.24 1.67 0.70 0.00 0.00 175.22 177.04 1nw2 s TRP 25 N 3.55 1.73 0.01 0.36 1.48 -0.66 -3.08 118.94 122.34 1nw2 s TRP 25 Ca 0.37 -1.59 -0.21 0.00 -1.06 0.00 0.00 56.10 53.61 1nw2 s TRP 25 Cb -0.11 -0.79 0.04 0.00 -1.16 0.00 0.00 33.47 31.45 1nw2 s TRP 25 CO 0.22 -0.76 0.47 0.00 -4.06 0.00 0.00 176.95 172.82 1nw2 s ALA 26 N -3.44 -1.19 0.33 2.67 0.00 -1.26 -0.68 121.76 118.19 1nw2 s ALA 26 Ca 0.38 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1nw2 s ALA 26 Cb 0.03 0.23 0.59 0.00 0.00 0.00 0.00 23.12 23.97 1nw2 s ALA 26 CO 0.24 -0.41 1.93 0.00 0.00 0.00 0.00 175.76 177.52 1nw2 h ALA 27 N 3.13 1.43 0.00 0.00 0.00 -2.01 -2.05 119.26 119.75 1nw2 h ALA 27 Ca -0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nw2 h ALA 27 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nw2 h ALA 27 CO 0.41 0.44 0.00 -2.67 0.00 0.00 0.00 179.25 177.43 1nw2 n TRP 28 N -4.35 0.00 -2.98 0.00 4.27 -1.26 -4.69 117.44 108.43 1nw2 n TRP 28 Ca 0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 1nw2 n TRP 28 Cb 0.15 -0.18 -0.05 0.00 -1.36 0.00 0.00 31.31 29.87 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 10.27 -1.05 2.00 0.00 0.00 -1.87 -2.44 103.07 109.99 1nw2 h GLY 30 Ca -0.26 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1nw2 h GLY 30 CO 1.00 -0.34 0.00 -0.56 0.00 0.00 0.00 176.54 176.64 1nw2 h PRO 31 N -0.88 0.00 -0.23 4.80 0.13 -1.94 -2.19 132.00 131.70 1nw2 h PRO 31 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 1nw2 h PRO 31 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1nw2 h PRO 31 CO -0.07 0.00 -0.23 0.00 -0.23 0.00 0.00 178.00 177.47 1nw2 h ARG 33 N 0.25 0.95 -0.04 0.00 3.08 -0.94 -0.97 114.38 116.72 1nw2 h ARG 33 Ca 0.04 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1nw2 h ARG 33 Cb 0.78 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1nw2 h ARG 33 CO 0.06 0.63 -0.56 1.98 -1.07 0.00 0.00 179.97 181.00 1nw2 h MET 34 N 0.98 0.11 0.00 0.04 4.05 -1.29 -3.11 114.93 115.71 1nw2 h MET 34 Ca 0.29 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1nw2 h MET 34 Cb -0.05 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1nw2 h MET 34 CO -0.08 0.64 -0.08 1.98 0.23 0.00 0.00 176.91 179.60 1nw2 h MET 35 N 0.08 0.00 -0.45 0.39 1.85 -0.27 -3.38 114.93 113.15 1nw2 h MET 35 Ca -0.00 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.16 1nw2 h MET 35 Cb 1.02 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.95 1nw2 h MET 35 CO 0.08 0.00 -0.40 0.00 -0.40 0.00 0.00 176.91 176.19 1nw2 h ALA 36 N 2.21 -0.33 -0.29 0.39 0.00 -1.12 -1.20 119.26 118.92 1nw2 h ALA 36 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1nw2 h ALA 36 Cb 0.89 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1nw2 h ALA 36 CO 0.00 -0.82 -0.16 -1.00 0.00 0.00 0.00 179.25 177.28 1nw2 h PRO 37 N -0.28 0.50 -0.44 0.00 0.13 -1.79 -2.13 132.00 127.98 1nw2 h PRO 37 Ca 0.16 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1nw2 h PRO 37 Cb 0.57 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1nw2 h PRO 37 CO -0.60 0.65 0.25 0.28 -0.23 0.00 0.00 178.00 178.35 1nw2 h VAL 38 N 0.46 1.16 -0.70 1.56 2.07 -1.59 -0.62 116.25 118.58 1nw2 h VAL 38 Ca 0.08 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1nw2 h VAL 38 Cb 0.54 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1nw2 h VAL 38 CO 0.03 0.16 0.17 0.25 0.02 0.00 0.00 177.57 178.20 1nw2 h LEU 39 N 0.58 1.06 -0.05 2.57 5.85 -1.10 -1.60 115.31 122.61 1nw2 h LEU 39 Ca 0.16 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1nw2 h LEU 39 Cb 0.04 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1nw2 h LEU 39 CO -0.03 1.01 0.03 -0.08 -0.34 0.00 0.00 178.44 179.04 1nw2 h GLU 40 N 1.06 0.07 0.00 1.25 4.81 -0.88 0.17 114.58 121.05 1nw2 h GLU 40 Ca 0.22 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1nw2 h GLU 40 Cb 0.37 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1nw2 h GLU 40 CO 0.00 0.06 -0.15 1.05 -0.73 0.00 0.00 179.01 179.25 1nw2 h GLU 41 N 0.05 0.00 -0.01 1.92 4.11 -0.98 -1.48 114.58 118.19 1nw2 h GLU 41 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.27 1nw2 h GLU 41 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1nw2 h GLU 41 CO -0.00 0.15 -0.70 0.35 0.07 0.00 0.00 179.01 178.87 1nw2 h PHE 42 N 0.00 0.73 -0.55 2.06 3.57 -0.48 -2.90 116.94 119.37 1nw2 h PHE 42 Ca -0.00 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1nw2 h PHE 42 Cb 0.31 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1nw2 h PHE 42 CO 0.00 1.21 0.28 0.00 -2.23 0.00 0.00 178.31 177.56 1nw2 h ALA 43 N 0.36 1.46 0.93 2.41 0.00 -0.21 -2.70 119.26 121.51 1nw2 h ALA 43 Ca -0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1nw2 h ALA 43 Cb 1.39 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1nw2 h ALA 43 CO 0.14 0.44 -0.46 1.49 0.00 0.00 0.00 179.25 180.86 1nw2 h GLU 44 N 0.76 -1.22 0.00 0.00 4.81 -1.30 -2.12 114.58 115.51 1nw2 h GLU 44 Ca 0.19 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1nw2 h GLU 44 Cb 0.06 0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1nw2 h GLU 44 CO -0.03 -0.81 0.00 0.00 -0.73 0.00 0.00 179.01 177.44 1nw2 n ALA 45 N -2.64 2.07 -2.37 2.92 0.00 -1.10 -3.12 120.51 116.27 1nw2 n ALA 45 Ca -0.16 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.23 1nw2 n ALA 45 Cb 0.50 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.91 0.00 0.29 0.00 8.25 -1.03 -4.89 115.22 116.93 1nw2 n HIS 46 Ca 0.10 -0.41 0.14 0.00 -0.26 0.00 0.00 57.72 57.28 1nw2 n HIS 46 Cb 0.04 -0.08 0.85 0.00 1.12 0.00 0.00 29.99 31.93 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 0.74 1.48 0.00 -1.41 0.00 -1.32 -1.22 119.26 117.53 1nw2 h ALA 47 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nw2 h ALA 47 Cb 1.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1nw2 h ALA 47 CO 0.05 0.04 -0.18 -0.40 0.00 0.00 0.00 179.25 178.76 1nw2 n ASP 48 N -3.83 0.20 -0.00 0.00 5.75 -1.26 -4.08 116.55 113.32 1nw2 n ASP 48 Ca -0.03 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1nw2 n ASP 48 Cb 0.12 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.52 1.22 -3.68 0.11 5.02 -0.73 -5.08 118.16 113.50 1nw2 n LYS 49 Ca 0.06 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 1nw2 n LYS 49 Cb 0.34 -0.93 -0.07 0.00 -0.02 0.00 0.00 35.03 34.35 1nw2 n LYS 49 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1nw2 s VAL 50 N -1.87 0.05 -0.25 -0.18 -7.23 -0.54 -4.14 120.40 106.25 1nw2 s VAL 50 Ca -0.00 -0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 59.71 1nw2 s VAL 50 Cb 0.00 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1nw2 s VAL 50 CO 0.02 -0.21 0.06 -0.89 -0.31 0.00 0.00 175.10 173.77 1nw2 s THR 51 N -1.70 4.24 -0.19 5.32 2.01 0.12 -4.35 115.64 121.09 1nw2 s THR 51 Ca -0.10 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 1nw2 s THR 51 Cb -0.03 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1nw2 s THR 51 CO 0.03 0.35 0.11 -0.69 -0.69 0.00 0.00 174.62 173.73 1nw2 s VAL 52 N 1.58 5.26 0.22 3.82 1.01 -1.26 -0.17 120.40 130.86 1nw2 s VAL 52 Ca 0.06 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1nw2 s VAL 52 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1nw2 s VAL 52 CO 0.03 0.45 0.04 0.00 0.00 0.00 0.00 175.10 175.61 1nw2 s ALA 53 N 0.34 1.64 -0.00 5.51 0.00 -0.46 -1.70 121.76 127.09 1nw2 s ALA 53 Ca 0.07 -1.75 0.05 0.00 0.00 0.00 0.00 51.96 50.33 1nw2 s ALA 53 Cb -0.11 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1nw2 s ALA 53 CO -0.01 -0.35 -0.16 0.15 0.00 0.00 0.00 175.76 175.38 1nw2 s LYS 54 N -3.94 1.29 -0.21 0.00 1.02 0.67 -1.09 119.74 117.48 1nw2 s LYS 54 Ca 0.30 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 1nw2 s LYS 54 Cb 0.07 -1.27 0.06 0.00 -0.52 0.00 0.00 37.83 36.17 1nw2 s LYS 54 CO 0.09 0.34 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.67 1nw2 s LEU 55 N -0.52 1.97 -0.37 3.17 0.20 -0.12 -0.39 118.68 122.62 1nw2 s LEU 55 Ca 0.06 -1.01 -0.29 0.00 0.69 0.00 0.00 54.13 53.58 1nw2 s LEU 55 Cb -0.07 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.77 1nw2 s LEU 55 CO -0.00 -0.26 1.15 0.21 -0.29 0.00 0.00 176.35 177.16 1nw2 s ASN 56 N 1.59 6.77 0.47 3.68 3.84 -1.26 -1.65 114.94 128.37 1nw2 s ASN 56 Ca -0.04 0.89 0.18 0.00 0.21 0.00 0.00 52.86 54.11 1nw2 s ASN 56 Cb -0.18 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 39.11 1nw2 s ASN 56 CO -0.07 -1.06 2.02 -0.37 -2.79 0.00 0.00 177.10 174.83 1nw2 h VAL 57 N 5.96 0.98 -0.85 -5.21 -1.51 -1.18 -2.00 116.25 112.45 1nw2 h VAL 57 Ca -0.23 -0.59 0.01 0.00 -1.23 0.00 0.00 66.70 64.67 1nw2 h VAL 57 Cb 1.07 1.33 -0.04 0.00 -2.13 0.00 0.00 31.29 31.52 1nw2 h VAL 57 CO 1.06 0.16 0.56 0.44 -1.23 0.00 0.00 177.57 178.56 1nw2 h ASP 58 N 0.00 0.96 -0.25 4.19 5.19 -1.91 -3.07 116.42 121.53 1nw2 h ASP 58 Ca -0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1nw2 h ASP 58 Cb 0.32 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1nw2 h ASP 58 CO 0.02 0.69 0.00 -1.84 -3.12 0.00 0.00 179.24 174.99 1nw2 n GLU 59 N -4.50 1.97 -3.18 3.56 0.28 -1.11 -4.65 120.64 113.01 1nw2 n GLU 59 Ca 0.09 -1.84 -0.23 0.00 -0.16 0.00 0.00 57.16 55.03 1nw2 n GLU 59 Cb 0.02 -1.33 -0.05 0.00 1.43 0.00 0.00 31.44 31.51 1nw2 n GLU 59 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1nw2 n ASN 60 N 0.89 1.63 -0.06 -1.84 3.02 -0.77 -4.85 115.26 113.27 1nw2 n ASN 60 Ca 0.13 -3.08 -0.01 0.00 -0.03 0.00 0.00 54.58 51.59 1nw2 n ASN 60 Cb 0.44 -0.62 0.27 0.00 -0.61 0.00 0.00 39.78 39.25 1nw2 n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1nw2 h PRO 61 N 3.50 0.67 0.42 3.52 0.13 -1.83 -3.21 132.00 135.21 1nw2 h PRO 61 Ca 0.11 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1nw2 h PRO 61 Cb 0.82 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1nw2 h PRO 61 CO 0.59 0.61 -0.27 0.93 -0.23 0.00 0.00 178.00 179.63 1nw2 h GLU 62 N 0.65 -0.64 -0.52 0.86 5.08 -1.93 -0.62 114.58 117.46 1nw2 h GLU 62 Ca 0.15 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1nw2 h GLU 62 Cb 0.25 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1nw2 h GLU 62 CO -0.00 -0.43 0.03 1.15 -1.00 0.00 0.00 179.01 178.76 1nw2 h THR 63 N -0.66 1.26 -0.54 1.13 2.02 -1.93 -1.22 112.91 112.95 1nw2 h THR 63 Ca -0.05 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 66.13 1nw2 h THR 63 Cb 0.55 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1nw2 h THR 63 CO 0.04 0.37 0.28 0.74 0.37 0.00 0.00 175.52 177.32 1nw2 h THR 64 N 0.78 0.95 -0.41 3.16 2.02 -1.54 -2.04 112.91 115.83 1nw2 h THR 64 Ca 0.15 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1nw2 h THR 64 Cb 0.49 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1nw2 h THR 64 CO 0.02 0.10 0.12 0.28 0.37 0.00 0.00 175.52 176.41 1nw2 h SER 65 N 0.54 0.60 -0.96 4.18 0.02 -0.88 -2.87 113.55 114.17 1nw2 h SER 65 Ca 0.24 -0.21 0.13 0.00 -0.84 0.00 0.00 61.79 61.11 1nw2 h SER 65 Cb 0.15 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1nw2 h SER 65 CO -0.17 0.65 0.61 -0.61 -1.14 0.00 0.00 176.83 176.17 1nw2 h GLN 66 N 0.52 0.85 -0.64 3.45 4.15 -0.55 -1.54 115.11 121.34 1nw2 h GLN 66 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1nw2 h GLN 66 Cb 0.27 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1nw2 h GLN 66 CO -0.00 0.56 0.00 1.19 -1.93 0.00 0.00 178.83 178.65 1nw2 n PHE 67 N -4.60 1.37 -3.88 3.99 3.72 -0.86 -4.96 117.46 112.24 1nw2 n PHE 67 Ca 0.18 -0.53 -0.29 0.00 -0.05 0.00 0.00 57.45 56.77 1nw2 n PHE 67 Cb 0.40 -0.25 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.97 -0.46 3.74 1.37 0.00 -0.58 -4.92 105.19 105.31 1nw2 n GLY 68 Ca 0.23 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.38 2.37 -0.08 -0.61 -1.09 -1.10 -4.88 121.20 112.43 1nw2 s ILE 69 Ca 0.54 0.29 0.05 0.00 -2.23 0.00 0.00 60.65 59.30 1nw2 s ILE 69 Cb -0.27 -3.19 -0.08 0.00 -1.58 0.00 0.00 42.46 37.34 1nw2 s ILE 69 CO 0.83 0.04 -0.01 0.23 -1.23 0.00 0.00 174.94 174.80 1nw2 n MET 70 N 2.79 2.09 -4.01 2.79 2.81 -1.26 -4.96 117.12 117.37 1nw2 n MET 70 Ca 0.10 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.92 1nw2 n MET 70 Cb 0.38 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.60 1nw2 n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1nw2 s SER 71 N -4.16 0.32 -0.11 7.83 1.04 -1.26 -5.16 113.70 112.19 1nw2 s SER 71 Ca -0.06 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 1nw2 s SER 71 Cb 0.02 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1nw2 s SER 71 CO 0.27 -0.40 -0.08 -0.63 0.98 0.00 0.00 173.24 173.38 1nw2 s ILE 72 N -2.29 3.58 0.52 -1.02 -1.09 -1.26 -3.78 121.20 115.86 1nw2 s ILE 72 Ca -0.08 -0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1nw2 s ILE 72 Cb -0.04 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 1nw2 s ILE 72 CO -0.04 0.54 0.83 -2.16 -1.23 0.00 0.00 174.94 172.89 1nw2 s PRO 73 N -0.09 3.33 -0.05 2.79 0.04 -1.26 -4.91 135.00 134.84 1nw2 s PRO 73 Ca 0.00 0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.17 1nw2 s PRO 73 Cb -0.13 -2.33 0.04 0.00 0.04 0.00 0.00 34.50 32.11 1nw2 s PRO 73 CO 0.03 -0.39 0.10 0.99 0.04 0.00 0.00 177.00 177.77 1nw2 s THR 74 N -2.84 -0.05 -0.10 1.26 2.01 -1.18 -1.21 115.64 113.53 1nw2 s THR 74 Ca 0.50 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1nw2 s THR 74 Cb -0.10 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1nw2 s THR 74 CO 0.45 0.08 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.56 1nw2 s LEU 75 N 1.12 2.68 -0.11 4.42 1.02 0.41 -0.97 118.68 127.25 1nw2 s LEU 75 Ca -0.09 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1nw2 s LEU 75 Cb -0.12 -1.58 0.01 0.00 0.02 0.00 0.00 46.19 44.53 1nw2 s LEU 75 CO -0.05 0.23 -0.18 -0.63 0.02 0.00 0.00 176.35 175.74 1nw2 s ILE 76 N -0.03 1.66 -0.12 -0.59 1.01 -0.37 0.13 121.20 122.89 1nw2 s ILE 76 Ca -0.04 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1nw2 s ILE 76 Cb -0.14 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1nw2 s ILE 76 CO 0.04 0.47 0.37 -0.22 0.00 0.00 0.00 174.94 175.60 1nw2 s LEU 77 N 0.78 4.29 -0.06 2.97 2.96 -0.35 -0.45 118.68 128.83 1nw2 s LEU 77 Ca -0.10 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1nw2 s LEU 77 Cb -0.16 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1nw2 s LEU 77 CO 0.01 0.11 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.74 1nw2 s PHE 78 N 0.25 2.99 -0.07 5.38 0.40 0.91 -0.83 117.98 127.02 1nw2 s PHE 78 Ca 0.21 0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.57 1nw2 s PHE 78 Cb -0.14 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.71 1nw2 s PHE 78 CO 0.07 0.37 0.13 0.21 0.70 0.00 0.00 175.22 176.71 1nw2 s LYS 79 N -0.92 0.03 -1.30 0.44 2.20 0.14 -2.25 119.74 118.08 1nw2 s LYS 79 Ca 0.13 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1nw2 s LYS 79 Cb -0.11 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.95 1nw2 s LYS 79 CO 0.03 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1nw2 n GLY 80 N 4.81 0.63 2.12 5.54 0.00 -1.26 -1.76 105.19 115.27 1nw2 n GLY 80 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.17 0.51 3.28 -0.02 0.00 -1.19 -5.03 105.19 101.57 1nw2 n GLY 81 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.09 1.29 -0.02 1.61 0.41 -0.72 -4.99 118.70 116.19 1nw2 s GLU 82 Ca 0.00 -1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 53.19 1nw2 s GLU 82 Cb 0.00 -1.50 -0.04 0.00 -1.78 0.00 0.00 34.13 30.81 1nw2 s GLU 82 CO 0.00 0.37 1.14 -1.25 -0.49 0.00 0.00 175.26 175.02 1nw2 s PRO 83 N -1.56 4.42 0.00 0.39 0.04 -1.26 0.25 135.00 137.28 1nw2 s PRO 83 Ca 0.08 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1nw2 s PRO 83 Cb -0.09 -3.48 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 1nw2 s PRO 83 CO 0.03 -0.31 0.38 1.33 0.04 0.00 0.00 177.00 178.47 1nw2 n VAL 84 N 4.30 0.00 -3.63 -0.36 0.24 -0.01 -4.92 118.33 113.96 1nw2 n VAL 84 Ca 0.09 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 1nw2 n VAL 84 Cb 0.47 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.72 0.82 -0.18 7.34 2.20 -1.21 -4.99 119.74 123.00 1nw2 s LYS 85 Ca 0.02 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1nw2 s LYS 85 Cb 0.02 0.38 0.04 0.00 -1.51 0.00 0.00 37.83 36.76 1nw2 s LYS 85 CO 0.07 -0.10 -0.09 -0.65 -0.36 0.00 0.00 175.35 174.22 1nw2 s GLN 86 N 0.49 1.87 -0.27 4.03 1.11 -1.26 -1.21 119.66 124.42 1nw2 s GLN 86 Ca -0.01 -0.71 -0.09 0.00 0.01 0.00 0.00 55.36 54.56 1nw2 s GLN 86 Cb -0.05 -2.25 -0.03 0.00 -1.01 0.00 0.00 33.01 29.67 1nw2 s GLN 86 CO -0.01 -0.41 0.12 -0.51 0.01 0.00 0.00 175.29 174.49 1nw2 s LEU 87 N 1.48 3.73 -0.17 2.90 1.43 0.34 -4.94 118.68 123.45 1nw2 s LEU 87 Ca -0.00 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1nw2 s LEU 87 Cb -0.16 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1nw2 s LEU 87 CO -0.08 -0.07 0.28 -0.63 0.23 0.00 0.00 176.35 176.08 1nw2 s ILE 88 N 1.66 5.31 0.00 -0.59 1.09 -1.26 -0.45 121.20 126.96 1nw2 s ILE 88 Ca 0.06 0.52 0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1nw2 s ILE 88 Cb -0.16 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 1nw2 s ILE 88 CO 0.06 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 175.90 1nw2 n GLY 89 N 3.45 -2.26 3.67 6.18 0.00 -0.35 -4.90 105.19 110.98 1nw2 n GLY 89 Ca -0.12 -1.53 -0.45 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.48 2.17 -4.04 1.61 4.19 -1.26 -4.77 117.16 114.58 1nw2 n TYR 90 Ca 0.00 0.41 -0.32 0.00 3.31 0.00 0.00 57.90 61.31 1nw2 n TYR 90 Cb 0.00 -2.47 -0.15 0.00 0.49 0.00 0.00 39.34 37.21 1nw2 n TYR 90 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1nw2 s GLN 91 N -0.20 1.99 0.98 2.98 -1.52 -1.26 -5.10 119.66 117.53 1nw2 s GLN 91 Ca 0.70 -1.39 -0.12 0.00 -1.95 0.00 0.00 55.36 52.61 1nw2 s GLN 91 Cb -0.66 -2.89 0.18 0.00 -0.22 0.00 0.00 33.01 29.42 1nw2 s GLN 91 CO 0.48 -0.65 1.08 -2.14 -0.25 0.00 0.00 175.29 173.82 1nw2 s PRO 92 N 1.12 0.59 0.33 2.91 0.02 -1.26 -4.71 135.00 133.99 1nw2 s PRO 92 Ca -0.05 0.80 0.01 0.00 0.02 0.00 0.00 61.00 61.78 1nw2 s PRO 92 Cb -0.20 -1.73 0.56 0.00 0.02 0.00 0.00 34.50 33.15 1nw2 s PRO 92 CO -0.06 -2.70 1.98 1.57 -0.33 0.00 0.00 177.00 177.46 1nw2 h LYS 93 N -1.88 0.95 -0.98 5.54 2.10 -2.00 -1.39 116.57 118.91 1nw2 h LYS 93 Ca -0.53 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.09 1nw2 h LYS 93 Cb 1.30 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 32.37 1nw2 h LYS 93 CO 0.54 0.63 0.65 0.93 -2.00 0.00 0.00 179.45 180.19 1nw2 h GLU 94 N 0.97 1.25 -0.28 0.07 3.07 -1.99 -0.24 114.58 117.44 1nw2 h GLU 94 Ca 0.29 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1nw2 h GLU 94 Cb -0.03 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 1nw2 h GLU 94 CO -0.07 0.82 -0.23 1.96 -1.40 0.00 0.00 179.01 180.09 1nw2 h GLN 95 N 1.28 0.64 -0.72 2.33 1.08 -1.65 -0.54 115.11 117.54 1nw2 h GLN 95 Ca 0.38 -0.32 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 1nw2 h GLN 95 Cb -0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 1nw2 h GLN 95 CO -0.10 0.92 0.43 -0.07 -0.95 0.00 0.00 178.83 179.06 1nw2 h LEU 96 N 0.37 0.68 -0.36 1.46 3.38 -0.70 0.28 115.31 120.42 1nw2 h LEU 96 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1nw2 h LEU 96 Cb 0.78 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1nw2 h LEU 96 CO 0.06 0.45 0.15 -0.33 0.09 0.00 0.00 178.44 178.86 1nw2 h GLU 97 N 0.82 0.54 0.46 1.13 4.39 -0.95 -2.43 114.58 118.53 1nw2 h GLU 97 Ca 0.31 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1nw2 h GLU 97 Cb 0.11 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1nw2 h GLU 97 CO -0.15 0.51 -0.22 0.00 -1.16 0.00 0.00 179.01 177.99 1nw2 h ALA 98 N 1.00 -0.62 0.00 3.43 0.00 -0.31 -2.91 119.26 119.84 1nw2 h ALA 98 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nw2 h ALA 98 Cb 0.17 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nw2 h ALA 98 CO -0.01 -0.76 -0.02 1.96 0.00 0.00 0.00 179.25 180.42 1nw2 h GLN 99 N -0.79 0.00 0.00 0.00 1.08 -0.51 -3.19 115.11 111.69 1nw2 h GLN 99 Ca -0.06 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1nw2 h GLN 99 Cb 0.55 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1nw2 h GLN 99 CO 0.10 0.02 -0.17 1.28 -0.95 0.00 0.00 178.83 179.11 1nw2 n LEU 100 N -3.20 2.39 0.33 1.46 4.77 -0.92 -4.81 117.00 117.03 1nw2 n LEU 100 Ca -0.02 -3.28 -0.14 0.00 -0.03 0.00 0.00 56.01 52.55 1nw2 n LEU 100 Cb 0.16 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1nw2 n LEU 100 CO 0.24 0.91 0.35 0.00 -1.33 0.00 0.00 177.39 177.56 1nw2 h ALA 101 N 0.31 -0.89 -2.66 -1.18 0.00 -1.50 -3.38 119.26 109.96 1nw2 h ALA 101 Ca -0.00 -0.19 -0.58 0.00 0.00 0.00 0.00 54.91 54.13 1nw2 h ALA 101 Cb 1.02 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1nw2 h ALA 101 CO 0.00 -0.82 -0.14 -0.51 0.00 0.00 0.00 179.25 177.78 1nw2 s ASP 102 N -4.52 6.84 0.00 0.00 1.01 -1.26 -3.87 116.67 114.87 1nw2 s ASP 102 Ca -0.13 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.17 1nw2 s ASP 102 Cb 0.01 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1nw2 s ASP 102 CO 0.39 0.23 0.00 0.52 0.21 0.00 0.00 175.17 176.51 1nw2 n VAL 103 N 1.37 0.00 0.00 -1.27 0.31 -1.26 -4.75 118.33 112.72 1nw2 n VAL 103 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1nw2 n VAL 103 Cb 0.52 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1nw2 n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1nw2 n LEU 104 N -0.61 0.00 0.00 7.52 7.94 -1.26 -4.96 117.00 125.63 1nw2 n LEU 104 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1nw2 n LEU 104 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1nw2 n LEU 104 CO 0.00 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 177.95