#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd n ASP 2 N 0.00 0.00 -2.70 0.00 -0.08 -1.26 -4.70 116.55 107.81 1nwd n ASP 2 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 1nwd n ASP 2 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1nwd n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nwd n GLN 3 N 0.00 -1.13 -1.93 -0.67 1.13 -1.26 -5.05 117.38 108.47 1nwd n GLN 3 Ca 0.00 1.14 -0.30 0.00 -1.94 0.00 0.00 57.00 55.90 1nwd n GLN 3 Cb 0.00 -4.73 0.02 0.00 0.11 0.00 0.00 30.24 25.64 1nwd n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nwd s LEU 4 N -3.75 3.15 0.51 1.08 1.43 -1.26 -5.04 118.68 114.79 1nwd s LEU 4 Ca 0.07 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.22 1nwd s LEU 4 Cb -0.01 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 1nwd s LEU 4 CO 0.56 -1.01 1.39 -0.89 0.23 0.00 0.00 176.35 176.64 1nwd s THR 5 N -3.21 2.04 -2.00 5.49 2.01 -1.26 -4.90 115.64 113.80 1nwd s THR 5 Ca 0.56 0.03 0.14 0.00 0.31 0.00 0.00 61.69 62.72 1nwd s THR 5 Cb -0.11 -3.02 0.39 0.00 0.01 0.00 0.00 72.50 69.77 1nwd s THR 5 CO 0.53 0.00 1.24 -0.62 -0.69 0.00 0.00 174.62 175.07 1nwd n GLU 6 N -0.71 0.47 0.11 4.92 1.02 -1.26 -3.77 120.64 121.42 1nwd n GLU 6 Ca 0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1nwd n GLU 6 Cb 0.44 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 1nwd n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nwd h GLU 7 N 0.00 -0.37 -0.69 3.49 4.39 -2.00 -2.74 114.58 116.66 1nwd h GLU 7 Ca 0.00 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1nwd h GLU 7 Cb 0.00 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1nwd h GLU 7 CO 0.00 -0.25 0.44 0.37 -1.16 0.00 0.00 179.01 178.41 1nwd h GLN 8 N -0.38 0.84 0.72 2.33 4.15 -1.97 0.13 115.11 120.92 1nwd h GLN 8 Ca 0.02 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1nwd h GLN 8 Cb 0.39 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1nwd h GLN 8 CO -0.09 0.56 -0.44 0.82 -1.93 0.00 0.00 178.83 177.74 1nwd h ILE 9 N 0.86 0.11 -0.68 2.39 2.04 -1.80 -2.71 117.51 117.72 1nwd h ILE 9 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1nwd h ILE 9 Cb -0.00 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1nwd h ILE 9 CO -0.10 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.50 1nwd h ALA 10 N -0.92 0.87 0.10 1.87 0.00 -1.40 -2.47 119.26 117.30 1nwd h ALA 10 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nwd h ALA 10 Cb 0.88 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nwd h ALA 10 CO 0.09 0.30 -0.20 1.49 0.00 0.00 0.00 179.25 180.94 1nwd h GLU 11 N 0.93 -0.31 0.00 0.00 4.81 -0.88 -0.97 114.58 118.16 1nwd h GLU 11 Ca 0.25 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1nwd h GLU 11 Cb -0.09 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1nwd h GLU 11 CO -0.05 -0.21 -0.19 0.74 -0.73 0.00 0.00 179.01 178.57 1nwd h PHE 12 N -0.32 0.00 0.21 0.92 -1.00 -1.57 -2.24 116.94 112.94 1nwd h PHE 12 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1nwd h PHE 12 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1nwd h PHE 12 CO -0.27 0.19 -0.10 -0.22 -1.61 0.00 0.00 178.31 176.30 1nwd h LYS 13 N 0.00 -0.27 -0.97 1.51 3.64 -1.20 -2.22 116.57 117.07 1nwd h LYS 13 Ca -0.00 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1nwd h LYS 13 Cb 0.49 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1nwd h LYS 13 CO 0.02 -0.09 0.61 0.93 -2.27 0.00 0.00 179.45 178.65 1nwd h GLU 14 N -0.40 0.99 0.54 1.90 3.07 -0.88 -0.53 114.58 119.27 1nwd h GLU 14 Ca -0.03 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1nwd h GLU 14 Cb 0.30 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1nwd h GLU 14 CO 0.05 0.65 -0.51 0.00 -1.40 0.00 0.00 179.01 177.80 1nwd h ALA 15 N 1.49 -1.16 0.29 3.43 0.00 -1.28 -2.36 119.26 119.67 1nwd h ALA 15 Ca 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1nwd h ALA 15 Cb 0.35 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nwd h ALA 15 CO -0.23 -1.19 -0.14 0.35 0.00 0.00 0.00 179.25 178.04 1nwd h PHE 16 N -1.04 -0.37 -1.00 0.00 3.57 -1.17 -3.17 116.94 113.77 1nwd h PHE 16 Ca -0.07 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.62 1nwd h PHE 16 Cb 0.89 0.12 -0.11 0.00 2.79 0.00 0.00 35.95 39.64 1nwd h PHE 16 CO -0.24 -0.19 0.61 0.77 -2.23 0.00 0.00 178.31 177.04 1nwd h SER 17 N -0.46 0.76 0.37 0.41 0.02 -1.14 -0.38 113.55 113.14 1nwd h SER 17 Ca -0.04 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1nwd h SER 17 Cb 0.34 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1nwd h SER 17 CO 0.07 0.26 -0.37 0.25 -1.14 0.00 0.00 176.83 175.89 1nwd h LEU 18 N 0.73 -1.02 -0.07 5.07 6.46 -1.39 -2.96 115.31 122.14 1nwd h LEU 18 Ca 0.58 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.43 1nwd h LEU 18 Cb 0.95 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1nwd h LEU 18 CO -0.38 -0.52 0.03 -0.26 -0.62 0.00 0.00 178.44 176.69 1nwd h PHE 19 N -0.77 0.11 -0.00 1.25 -1.00 -1.56 -3.34 116.94 111.63 1nwd h PHE 19 Ca -0.03 -0.01 -0.71 0.00 2.81 0.00 0.00 57.97 60.04 1nwd h PHE 19 Cb 0.69 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.18 1nwd h PHE 19 CO -0.21 0.20 3.17 -3.47 -1.61 0.00 0.00 178.31 176.39 1nwd n ASP 20 N -4.96 4.10 0.21 2.17 2.03 -0.18 -4.71 116.55 115.20 1nwd n ASP 20 Ca -0.06 -2.83 0.04 0.00 0.52 0.00 0.00 54.79 52.47 1nwd n ASP 20 Cb 0.10 -1.66 0.45 0.00 -0.72 0.00 0.00 41.12 39.29 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwd h LYS 21 N 5.95 0.00 -0.23 -0.67 1.57 -1.68 -3.02 116.57 118.49 1nwd h LYS 21 Ca 0.58 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.42 1nwd h LYS 21 Cb 0.62 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 1nwd h LYS 21 CO 1.89 0.26 -0.21 -0.44 -0.57 0.00 0.00 179.45 180.37 1nwd h ASP 22 N 0.00 -0.67 0.00 0.86 5.19 -1.90 -3.48 116.42 116.43 1nwd h ASP 22 Ca -0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1nwd h ASP 22 Cb 0.46 0.32 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1nwd h ASP 22 CO 0.03 -0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.51 1nwd n GLY 23 N -1.36 2.72 0.32 2.75 0.00 -1.14 -4.95 105.19 103.53 1nwd n GLY 23 Ca -0.01 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.42 1nwd n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nwd h ASP 24 N 0.83 0.53 0.00 1.61 2.03 -1.92 -3.47 116.42 116.04 1nwd h ASP 24 Ca 0.00 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1nwd h ASP 24 Cb 0.00 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1nwd h ASP 24 CO 0.00 0.19 0.00 0.61 -1.03 0.00 0.00 179.24 179.01 1nwd n GLY 25 N -1.33 0.75 3.28 7.15 0.00 -1.26 -4.97 105.19 108.81 1nwd n GLY 25 Ca 0.19 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1nwd n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 26 N -1.28 -0.01 -0.16 2.61 -4.23 -1.26 -4.08 115.64 107.24 1nwd s THR 26 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1nwd s THR 26 Cb 0.00 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 73.30 1nwd s THR 26 CO 0.00 0.01 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.36 1nwd s ILE 27 N 0.52 1.40 0.22 2.99 -1.09 -0.84 -4.85 121.20 119.54 1nwd s ILE 27 Ca -0.02 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 1nwd s ILE 27 Cb -0.04 -1.41 -0.02 0.00 -1.58 0.00 0.00 42.46 39.41 1nwd s ILE 27 CO -0.03 0.32 0.19 1.07 -1.23 0.00 0.00 174.94 175.26 1nwd n THR 28 N 4.80 0.00 0.45 2.92 5.66 -1.26 -0.99 114.28 125.87 1nwd n THR 28 Ca -0.15 -1.60 -0.20 0.00 -3.05 0.00 0.00 64.05 59.05 1nwd n THR 28 Cb 0.49 0.80 -0.10 0.00 -1.55 0.00 0.00 70.33 69.97 1nwd n THR 28 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1nwd h THR 29 N 1.71 0.02 -0.39 1.09 1.35 -1.85 -2.71 112.91 112.12 1nwd h THR 29 Ca -0.15 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.79 1nwd h THR 29 Cb 0.79 0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 67.14 1nwd h THR 29 CO 0.22 0.00 -0.25 0.50 -0.25 0.00 0.00 175.52 175.74 1nwd h LYS 30 N -1.23 -0.18 0.51 4.72 3.11 -1.97 -1.46 116.57 120.08 1nwd h LYS 30 Ca -0.11 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.72 1nwd h LYS 30 Cb 0.98 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 1nwd h LYS 30 CO 0.12 -0.12 -0.36 1.49 -2.81 0.00 0.00 179.45 177.78 1nwd h GLU 31 N -0.19 -0.81 -0.72 1.90 4.81 -1.98 -1.28 114.58 116.31 1nwd h GLU 31 Ca 0.19 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.61 1nwd h GLU 31 Cb 0.48 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.95 1nwd h GLU 31 CO -0.50 -0.54 0.23 -0.07 -0.73 0.00 0.00 179.01 177.40 1nwd h LEU 32 N -0.84 0.14 -0.16 1.64 -0.00 -1.31 -1.69 115.31 113.09 1nwd h LEU 32 Ca -0.06 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 57.99 1nwd h LEU 32 Cb 0.70 0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 41.43 1nwd h LEU 32 CO 0.03 0.04 -0.39 1.23 -0.00 0.00 0.00 178.44 179.36 1nwd h GLY 33 N 0.35 -0.59 0.23 0.83 0.00 -0.91 -1.95 103.07 101.04 1nwd h GLY 33 Ca 0.40 0.48 0.10 0.00 0.00 0.00 0.00 47.33 48.30 1nwd h GLY 33 CO -0.44 -0.22 0.05 -0.84 0.00 0.00 0.00 176.54 175.09 1nwd h THR 34 N -0.44 0.65 -0.64 4.70 2.02 -0.36 -0.53 112.91 118.31 1nwd h THR 34 Ca 0.09 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1nwd h THR 34 Cb 0.60 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1nwd h THR 34 CO -0.40 0.03 0.34 0.58 0.37 0.00 0.00 175.52 176.45 1nwd h VAL 35 N 0.17 0.96 -0.21 3.16 2.07 -1.13 -1.38 116.25 119.89 1nwd h VAL 35 Ca 0.26 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1nwd h VAL 35 Cb 0.38 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1nwd h VAL 35 CO -0.38 0.12 0.04 0.24 0.02 0.00 0.00 177.57 177.61 1nwd h MET 36 N 0.64 0.34 -0.70 1.57 2.86 -0.54 -3.10 114.93 116.00 1nwd h MET 36 Ca 0.29 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1nwd h MET 36 Cb 0.18 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1nwd h MET 36 CO -0.18 0.48 0.43 0.00 1.06 0.00 0.00 176.91 178.69 1nwd h ARG 37 N 0.15 0.79 -0.52 1.72 -0.00 -0.16 -0.54 114.38 115.83 1nwd h ARG 37 Ca 0.07 -0.05 0.10 0.00 -0.50 0.00 0.00 59.98 59.60 1nwd h ARG 37 Cb 0.29 -0.18 -0.10 0.00 0.00 0.00 0.00 29.97 29.99 1nwd h ARG 37 CO 0.00 0.52 -0.09 1.03 0.00 0.00 0.00 179.97 181.43 1nwd h SER 38 N 0.81 -0.41 0.00 7.04 0.87 -1.22 -3.24 113.55 117.40 1nwd h SER 38 Ca 0.29 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1nwd h SER 38 Cb 0.08 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1nwd h SER 38 CO -0.13 -0.15 0.00 0.18 -0.53 0.00 0.00 176.83 176.20 1nwd n LEU 39 N -5.33 0.49 0.00 2.23 4.77 -1.07 -5.00 117.00 113.08 1nwd n LEU 39 Ca 0.05 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1nwd n LEU 39 Cb 0.28 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1nwd n LEU 39 CO 0.11 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1nwd n GLY 40 N 0.62 -1.77 3.35 -0.72 0.00 -0.34 -5.13 105.19 101.21 1nwd n GLY 40 Ca 0.00 0.68 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 1nwd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 41 N 0.00 0.61 -0.63 1.61 1.11 -0.46 -4.98 119.66 116.92 1nwd s GLN 41 Ca 0.00 0.45 0.05 0.00 0.01 0.00 0.00 55.36 55.86 1nwd s GLN 41 Cb 0.00 0.29 0.15 0.00 -1.01 0.00 0.00 33.01 32.44 1nwd s GLN 41 CO 0.00 -0.11 0.40 0.54 0.01 0.00 0.00 175.29 176.13 1nwd s ASN 42 N -0.19 4.62 0.73 5.90 4.22 -1.26 -1.63 114.94 127.33 1nwd s ASN 42 Ca -0.04 -3.51 -0.11 0.00 -2.14 0.00 0.00 52.86 47.06 1nwd s ASN 42 Cb -0.03 -1.64 0.03 0.00 1.28 0.00 0.00 41.25 40.89 1nwd s ASN 42 CO 0.02 -0.15 1.09 -2.16 -2.04 0.00 0.00 177.10 173.86 1nwd s PRO 43 N -0.97 2.64 0.01 3.55 0.04 -1.26 -5.05 135.00 133.95 1nwd s PRO 43 Ca 0.22 0.59 -0.22 0.00 0.04 0.00 0.00 61.00 61.63 1nwd s PRO 43 Cb -0.14 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1nwd s PRO 43 CO -0.10 -1.22 0.63 0.99 0.04 0.00 0.00 177.00 177.35 1nwd s THR 44 N -3.24 4.86 0.22 1.26 2.01 -1.26 -5.01 115.64 114.48 1nwd s THR 44 Ca 0.59 1.33 -0.07 0.00 0.31 0.00 0.00 61.69 63.85 1nwd s THR 44 Cb -0.13 -3.97 0.17 0.00 0.01 0.00 0.00 72.50 68.58 1nwd s THR 44 CO 0.53 0.41 1.79 1.05 -0.69 0.00 0.00 174.62 177.71 1nwd h GLU 45 N 5.63 1.20 -0.27 4.92 -0.00 -1.98 -1.61 114.58 122.47 1nwd h GLU 45 Ca -0.45 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.36 58.69 1nwd h GLU 45 Cb 1.20 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.74 1nwd h GLU 45 CO 0.70 0.96 0.13 0.00 -0.00 0.00 0.00 179.01 180.80 1nwd h ALA 46 N 1.19 0.35 -0.50 1.06 0.00 -1.99 -1.58 119.26 117.79 1nwd h ALA 46 Ca 0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1nwd h ALA 46 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1nwd h ALA 46 CO -0.03 -0.08 -0.01 0.93 0.00 0.00 0.00 179.25 180.07 1nwd h GLU 47 N 0.31 0.89 -0.78 0.00 5.08 -1.96 -1.91 114.58 116.21 1nwd h GLU 47 Ca 0.09 -0.29 0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1nwd h GLU 47 Cb 0.12 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 1nwd h GLU 47 CO -0.01 0.92 0.43 -0.07 -1.00 0.00 0.00 179.01 179.29 1nwd h LEU 48 N 0.75 0.62 0.41 1.33 3.38 -1.21 -2.85 115.31 117.75 1nwd h LEU 48 Ca 0.14 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1nwd h LEU 48 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nwd h LEU 48 CO 0.03 0.36 -0.20 -0.61 0.09 0.00 0.00 178.44 178.11 1nwd h GLN 49 N 0.74 -0.54 -0.39 1.13 4.15 -1.07 -3.35 115.11 115.79 1nwd h GLN 49 Ca 0.37 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.87 1nwd h GLN 49 Cb 0.32 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1nwd h GLN 49 CO -0.24 -0.36 0.13 0.22 -1.93 0.00 0.00 178.83 176.66 1nwd h ASP 50 N -0.80 0.14 -0.63 -0.69 3.58 -1.39 -2.37 116.42 114.26 1nwd h ASP 50 Ca -0.06 0.05 0.12 0.00 0.42 0.00 0.00 57.03 57.55 1nwd h ASP 50 Cb 0.43 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.42 1nwd h ASP 50 CO 0.09 0.11 0.17 0.00 -2.88 0.00 0.00 179.24 176.74 1nwd h MET 51 N 0.29 0.30 -0.24 0.28 -0.00 -1.68 -1.99 114.93 111.89 1nwd h MET 51 Ca 0.18 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.81 1nwd h MET 51 Cb 0.17 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1nwd h MET 51 CO -0.19 0.20 -0.07 0.82 -0.00 0.00 0.00 176.91 177.67 1nwd h ILE 52 N 0.31 1.29 0.00 -0.10 2.04 -1.63 -3.29 117.51 116.13 1nwd h ILE 52 Ca 0.33 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1nwd h ILE 52 Cb 0.49 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1nwd h ILE 52 CO -0.39 0.34 -0.06 -1.13 0.00 0.00 0.00 178.15 176.91 1nwd h ASN 53 N 0.22 0.00 0.32 1.72 -0.73 -0.85 -2.15 115.58 114.10 1nwd h ASN 53 Ca 0.06 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 1nwd h ASN 53 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.14 1nwd h ASN 53 CO 0.03 0.06 -0.15 -0.33 -0.37 0.00 0.00 177.43 176.67 1nwd h GLU 54 N 0.00 -0.41 -0.46 6.67 3.07 -1.53 -3.35 114.58 118.57 1nwd h GLU 54 Ca -0.00 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1nwd h GLU 54 Cb 0.14 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1nwd h GLU 54 CO 0.01 -0.28 0.22 0.28 -1.40 0.00 0.00 179.01 177.84 1nwd h VAL 55 N -0.48 1.16 -3.18 3.13 2.07 -1.64 -3.39 116.25 113.92 1nwd h VAL 55 Ca -0.04 -0.44 -0.53 0.00 0.82 0.00 0.00 66.70 66.50 1nwd h VAL 55 Cb 0.33 0.57 0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1nwd h VAL 55 CO 0.07 0.18 0.66 -0.62 0.02 0.00 0.00 177.57 177.88 1nwd s ASP 56 N -6.64 6.92 -0.02 0.57 2.15 -0.83 -3.97 116.67 114.85 1nwd s ASP 56 Ca -0.09 2.27 -0.11 0.00 0.43 0.00 0.00 52.55 55.06 1nwd s ASP 56 Cb 0.17 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 40.13 1nwd s ASP 56 CO 0.76 -0.56 0.60 0.00 -0.17 0.00 0.00 175.17 175.79 1nwd h ALA 57 N 6.31 -0.54 -0.73 3.66 0.00 -1.82 -3.37 119.26 122.77 1nwd h ALA 57 Ca -0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1nwd h ALA 57 Cb 1.21 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1nwd h ALA 57 CO 0.82 -0.51 0.43 0.38 0.00 0.00 0.00 179.25 180.37 1nwd h ASP 58 N -0.77 0.89 -3.87 0.00 3.04 -1.93 -3.49 116.42 110.29 1nwd h ASP 58 Ca -0.04 -0.07 -0.03 0.00 -3.24 0.00 0.00 57.03 53.64 1nwd h ASP 58 Cb 0.30 -0.22 0.03 0.00 -1.04 0.00 0.00 39.33 38.39 1nwd h ASP 58 CO 0.07 0.70 -0.12 0.61 -2.04 0.00 0.00 179.24 178.46 1nwd n GLY 59 N -1.16 -0.34 0.95 7.15 0.00 -1.26 -5.00 105.19 105.53 1nwd n GLY 59 Ca 0.07 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1nwd n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nwd n ASN 60 N -1.60 3.48 0.00 1.61 5.03 -1.26 -5.01 115.26 117.51 1nwd n ASN 60 Ca -0.01 -2.13 0.00 0.00 0.87 0.00 0.00 54.58 53.31 1nwd n ASN 60 Cb 0.52 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1nwd n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nwd n GLY 61 N 0.79 1.53 3.77 7.41 0.00 -1.26 -4.91 105.19 112.52 1nwd n GLY 61 Ca 0.17 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1nwd n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 62 N 0.00 2.76 -0.31 2.61 -4.23 -1.26 -4.36 115.64 110.85 1nwd s THR 62 Ca 0.00 0.73 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1nwd s THR 62 Cb 0.00 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.48 1nwd s THR 62 CO 0.00 0.15 0.05 -0.63 -0.54 0.00 0.00 174.62 173.65 1nwd s ILE 63 N -1.19 1.66 0.72 2.99 -1.09 -0.16 -4.86 121.20 119.28 1nwd s ILE 63 Ca 0.51 -1.84 -0.12 0.00 -2.23 0.00 0.00 60.65 56.97 1nwd s ILE 63 Cb -0.38 -2.19 0.18 0.00 -1.58 0.00 0.00 42.46 38.48 1nwd s ILE 63 CO 0.50 -0.56 0.66 -0.67 -1.23 0.00 0.00 174.94 173.65 1nwd n ASP 64 N 4.53 -1.54 0.00 3.58 -0.08 -1.26 -1.99 116.55 119.79 1nwd n ASP 64 Ca -0.01 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1nwd n ASP 64 Cb 0.42 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1nwd n ASP 64 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1nwd n PHE 65 N -3.86 0.00 -0.31 -0.67 3.72 -1.26 -1.45 117.46 113.63 1nwd n PHE 65 Ca 0.09 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.51 1nwd n PHE 65 Cb 0.35 -0.38 0.16 0.00 -0.94 0.00 0.00 39.48 38.67 1nwd n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nwd h PRO 66 N 0.00 0.90 -0.39 -1.08 0.13 -1.97 -2.47 132.00 127.12 1nwd h PRO 66 Ca 0.00 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1nwd h PRO 66 Cb 0.00 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 30.89 1nwd h PRO 66 CO 0.00 0.59 0.13 0.93 -0.23 0.00 0.00 178.00 179.43 1nwd h GLU 67 N 0.92 0.28 -0.25 0.86 5.08 -1.90 -1.31 114.58 118.25 1nwd h GLU 67 Ca 0.40 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1nwd h GLU 67 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nwd h GLU 67 CO -0.21 0.19 -0.12 0.35 -1.00 0.00 0.00 179.01 178.22 1nwd h PHE 68 N 0.29 0.60 -0.95 4.33 3.04 -0.82 -0.45 116.94 122.98 1nwd h PHE 68 Ca 0.18 -0.15 0.10 0.00 3.98 0.00 0.00 57.97 62.08 1nwd h PHE 68 Cb 0.16 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.45 1nwd h PHE 68 CO -0.15 0.78 0.59 -0.07 -2.02 0.00 0.00 178.31 177.44 1nwd h LEU 69 N 0.25 0.89 0.50 0.59 4.07 -1.34 -2.57 115.31 117.71 1nwd h LEU 69 Ca 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1nwd h LEU 69 Cb 0.62 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1nwd h LEU 69 CO 0.04 0.51 -0.24 0.74 -1.08 0.00 0.00 178.44 178.41 1nwd h THR 70 N 0.99 0.00 -0.64 0.22 2.02 -1.10 -2.61 112.91 111.79 1nwd h THR 70 Ca 0.45 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.66 1nwd h THR 70 Cb 0.36 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.66 1nwd h THR 70 CO -0.23 0.00 -0.20 0.80 0.37 0.00 0.00 175.52 176.26 1nwd n MET 71 N -4.03 -0.10 0.00 6.66 0.00 -0.19 -0.60 117.12 118.86 1nwd n MET 71 Ca -0.08 0.99 -0.01 0.00 0.00 0.00 0.00 57.70 58.60 1nwd n MET 71 Cb 0.26 -1.48 -0.01 0.00 0.00 0.00 0.00 33.22 32.00 1nwd n MET 71 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1nwd h MET 72 N 0.00 -0.07 0.00 2.12 2.86 -1.60 -3.37 114.93 114.88 1nwd h MET 72 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1nwd h MET 72 Cb 0.43 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1nwd h MET 72 CO -0.65 -0.05 0.00 0.00 1.06 0.00 0.00 176.91 177.28 1nwd n ALA 73 N -2.47 -0.26 -0.08 6.32 0.00 -0.83 -4.51 120.51 118.69 1nwd n ALA 73 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1nwd n ALA 73 Cb 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.35 1nwd n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwd h ARG 74 N 0.00 0.00 -0.00 0.00 -0.00 -1.38 -3.49 114.38 109.51 1nwd h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1nwd h ARG 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1nwd h ARG 74 CO 0.00 0.99 0.00 1.17 0.00 0.00 0.00 179.97 182.13 1nwd n LYS 75 N -4.58 0.00 -0.73 0.04 3.00 0.23 -3.81 118.16 112.32 1nwd n LYS 75 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1nwd n LYS 75 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1nwd n MET 76 N 2.85 -0.80 -2.30 1.64 1.56 -1.25 -4.32 117.12 114.49 1nwd n MET 76 Ca 0.00 1.00 -0.39 0.00 -0.27 0.00 0.00 57.70 58.03 1nwd n MET 76 Cb 0.00 -0.61 -0.02 0.00 2.15 0.00 0.00 33.22 34.74 1nwd n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1nwd n LYS 77 N 0.27 2.69 -3.22 2.12 0.00 -1.26 -4.48 118.16 114.27 1nwd n LYS 77 Ca 0.00 -2.94 -0.11 0.00 0.00 0.00 0.00 58.31 55.26 1nwd n LYS 77 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 35.03 31.48 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1nwd n ASP 78 N 9.63 -0.46 0.20 3.14 8.00 -1.26 -4.62 116.55 131.18 1nwd n ASP 78 Ca 0.48 -2.22 -0.09 0.00 0.71 0.00 0.00 54.79 53.67 1nwd n ASP 78 Cb 0.45 1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.54 1nwd n ASP 78 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1nwd h THR 79 N 1.61 0.00 -0.76 -3.53 1.35 -2.00 -3.35 112.91 106.24 1nwd h THR 79 Ca -0.14 -0.35 -0.73 0.00 -0.55 0.00 0.00 66.41 64.65 1nwd h THR 79 Cb 0.68 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.02 1nwd h THR 79 CO 0.20 0.00 2.71 0.47 -0.25 0.00 0.00 175.52 178.65 1nwd n ASP 80 N -4.49 6.20 0.33 5.36 8.00 -1.26 -4.76 116.55 125.93 1nwd n ASP 80 Ca -0.07 -2.96 -0.16 0.00 0.71 0.00 0.00 54.79 52.31 1nwd n ASP 80 Cb 0.22 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 39.73 1nwd n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nwd h SER 81 N 5.39 -0.70 0.35 -2.24 0.02 -1.79 -3.22 113.55 111.36 1nwd h SER 81 Ca 0.60 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 1nwd h SER 81 Cb 0.49 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 1nwd h SER 81 CO 1.68 -0.42 -0.05 1.05 -1.14 0.00 0.00 176.83 177.96 1nwd h GLU 82 N -0.96 0.00 0.00 3.45 -0.00 -1.75 -1.71 114.58 113.61 1nwd h GLU 82 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.26 1nwd h GLU 82 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.42 1nwd h GLU 82 CO 0.14 0.05 -0.06 0.93 -0.00 0.00 0.00 179.01 180.07 1nwd h GLU 83 N 0.00 0.00 0.40 1.06 4.39 -1.84 -3.04 114.58 115.54 1nwd h GLU 83 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1nwd h GLU 83 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1nwd h GLU 83 CO 0.01 0.06 -0.19 1.49 -1.16 0.00 0.00 179.01 179.21 1nwd h GLU 84 N 0.00 -0.52 -0.61 2.33 4.57 -1.42 -0.20 114.58 118.74 1nwd h GLU 84 Ca -0.00 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1nwd h GLU 84 Cb 0.34 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 1nwd h GLU 84 CO 0.01 -0.32 0.31 0.82 -1.18 0.00 0.00 179.01 178.65 1nwd h ILE 85 N -0.58 0.92 -0.78 2.32 1.08 -1.72 -1.27 117.51 117.48 1nwd h ILE 85 Ca -0.05 -0.20 0.06 0.00 -0.39 0.00 0.00 64.86 64.28 1nwd h ILE 85 Cb 0.44 0.30 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 1nwd h ILE 85 CO 0.09 0.10 0.46 0.03 -0.69 0.00 0.00 178.15 178.15 1nwd h ARG 86 N 0.57 0.81 -0.38 2.37 2.47 -1.42 -0.54 114.38 118.26 1nwd h ARG 86 Ca 0.28 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1nwd h ARG 86 Cb 0.22 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1nwd h ARG 86 CO -0.20 0.54 0.21 1.49 0.56 0.00 0.00 179.97 182.56 1nwd h GLU 87 N 0.84 0.53 -0.40 0.04 4.22 -0.06 -1.48 114.58 118.27 1nwd h GLU 87 Ca 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.72 1nwd h GLU 87 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 87 CO -0.19 0.44 0.22 0.00 -2.18 0.00 0.00 179.01 177.31 1nwd h ALA 88 N 1.07 0.52 0.40 2.92 0.00 -0.99 -3.08 119.26 120.10 1nwd h ALA 88 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1nwd h ALA 88 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nwd h ALA 88 CO -0.02 0.04 -0.19 0.74 0.00 0.00 0.00 179.25 179.82 1nwd h PHE 89 N 0.52 -0.50 -0.32 0.00 -1.00 -0.89 -1.39 116.94 113.36 1nwd h PHE 89 Ca 0.14 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 1nwd h PHE 89 Cb 0.06 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 1nwd h PHE 89 CO -0.02 -0.20 0.01 0.07 -1.61 0.00 0.00 178.31 176.56 1nwd h ARG 90 N -0.76 0.48 0.05 1.51 -0.00 -1.37 0.86 114.38 115.16 1nwd h ARG 90 Ca -0.05 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.98 59.83 1nwd h ARG 90 Cb 0.52 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.42 1nwd h ARG 90 CO 0.09 0.50 -0.02 0.28 -0.00 0.00 0.00 179.97 180.82 1nwd h VAL 91 N 0.47 1.24 0.00 0.08 2.07 -1.58 -3.39 116.25 115.13 1nwd h VAL 91 Ca 0.10 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1nwd h VAL 91 Cb 0.29 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1nwd h VAL 91 CO 0.01 0.25 0.00 0.49 0.02 0.00 0.00 177.57 178.34 1nwd n PHE 92 N -4.91 0.00 -2.05 1.57 3.01 -0.53 -4.88 117.46 109.68 1nwd n PHE 92 Ca -0.08 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.08 1nwd n PHE 92 Cb 0.24 -0.33 0.03 0.00 -0.01 0.00 0.00 39.48 39.41 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nwd s ASP 93 N -2.04 5.71 0.03 4.37 2.15 0.27 -4.76 116.67 122.40 1nwd s ASP 93 Ca 0.00 1.09 0.24 0.00 0.43 0.00 0.00 52.55 54.31 1nwd s ASP 93 Cb 0.00 -2.03 0.22 0.00 -0.30 0.00 0.00 42.92 40.81 1nwd s ASP 93 CO 0.00 -1.12 1.19 0.29 -0.17 0.00 0.00 175.17 175.36 1nwd n LYS 94 N -2.80 0.13 -2.87 4.34 4.76 -1.26 -4.56 118.16 115.89 1nwd n LYS 94 Ca 0.06 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1nwd n LYS 94 Cb 0.56 -1.55 0.04 0.00 -1.84 0.00 0.00 35.03 32.24 1nwd n LYS 94 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nwd n ASP 95 N -1.73 -0.46 0.00 4.39 5.75 -1.26 -5.01 116.55 118.22 1nwd n ASP 95 Ca 0.04 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 1nwd n ASP 95 Cb 0.38 0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 96 N 0.10 2.20 2.04 6.12 0.00 -1.26 -4.24 105.19 110.14 1nwd n GLY 96 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1nwd n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nwd n ASN 97 N 1.18 -2.82 0.00 1.61 5.15 -1.26 -4.64 115.26 114.48 1nwd n ASN 97 Ca 0.00 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1nwd n ASN 97 Cb 0.00 -2.08 0.00 0.00 -0.53 0.00 0.00 39.78 37.17 1nwd n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nwd n GLY 98 N -1.03 0.73 3.36 8.20 0.00 -1.26 -4.71 105.19 110.47 1nwd n GLY 98 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1nwd n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwd s TYR 99 N -0.32 3.12 -0.67 1.61 2.02 -1.25 -3.68 117.35 118.18 1nwd s TYR 99 Ca 0.00 -1.14 -0.19 0.00 -0.37 0.00 0.00 57.07 55.37 1nwd s TYR 99 Cb 0.00 -3.96 0.11 0.00 -0.40 0.00 0.00 41.96 37.71 1nwd s TYR 99 CO 0.00 -1.22 0.81 0.42 -1.57 0.00 0.00 175.55 173.99 1nwd s ILE 100 N 2.24 4.79 0.79 2.71 1.01 -0.92 -4.76 121.20 127.06 1nwd s ILE 100 Ca 0.11 -1.09 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1nwd s ILE 100 Cb -0.24 -4.56 0.07 0.00 0.01 0.00 0.00 42.46 37.75 1nwd s ILE 100 CO 0.04 -1.22 1.15 -0.55 0.00 0.00 0.00 174.94 174.35 1nwd s SER 101 N 3.53 3.98 0.26 3.58 0.15 -1.26 -2.14 113.70 121.80 1nwd s SER 101 Ca 0.16 2.14 -0.01 0.00 0.70 0.00 0.00 55.95 58.94 1nwd s SER 101 Cb -0.19 -2.56 0.53 0.00 -1.71 0.00 0.00 66.02 62.08 1nwd s SER 101 CO 0.04 -2.40 1.78 0.00 1.20 0.00 0.00 173.24 173.86 1nwd h ALA 102 N -0.94 1.32 0.13 5.45 0.00 -1.97 -0.69 119.26 122.56 1nwd h ALA 102 Ca -0.45 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1nwd h ALA 102 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nwd h ALA 102 CO 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 1nwd h ALA 103 N 1.55 -0.17 -0.71 0.00 0.00 -1.92 -0.89 119.26 117.11 1nwd h ALA 103 Ca 0.47 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1nwd h ALA 103 Cb 0.61 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1nwd h ALA 103 CO -0.34 -0.56 0.44 0.93 0.00 0.00 0.00 179.25 179.72 1nwd h GLU 104 N -0.25 0.82 -0.36 0.00 5.08 -1.78 -0.49 114.58 117.60 1nwd h GLU 104 Ca -0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1nwd h GLU 104 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1nwd h GLU 104 CO 0.03 0.54 -0.06 1.25 -1.00 0.00 0.00 179.01 179.77 1nwd h LEU 105 N 0.84 0.67 -0.11 1.33 6.46 -1.13 -3.10 115.31 120.27 1nwd h LEU 105 Ca 0.29 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1nwd h LEU 105 Cb 0.06 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 1nwd h LEU 105 CO -0.13 0.86 -0.12 -0.09 -0.62 0.00 0.00 178.44 178.34 1nwd h ARG 106 N 0.47 -0.15 -0.68 1.25 2.43 -0.86 -3.27 114.38 113.56 1nwd h ARG 106 Ca 0.09 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 1nwd h ARG 106 Cb 0.55 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.04 1nwd h ARG 106 CO 0.03 -0.10 0.17 0.45 -1.51 0.00 0.00 179.97 179.01 1nwd h HIS 107 N -0.16 0.26 -0.69 2.20 3.86 -1.01 -0.50 115.15 119.11 1nwd h HIS 107 Ca 0.08 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1nwd h HIS 107 Cb 0.27 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1nwd h HIS 107 CO -0.24 -0.05 0.13 -0.24 0.86 0.00 0.00 177.93 178.39 1nwd h VAL 108 N 0.28 1.26 -0.28 2.45 3.04 -1.61 -0.31 116.25 121.09 1nwd h VAL 108 Ca 0.37 -1.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.01 1nwd h VAL 108 Cb 0.60 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1nwd h VAL 108 CO -0.46 0.39 0.07 0.24 -1.01 0.00 0.00 177.57 176.80 1nwd h MET 109 N 1.05 0.45 -0.62 4.17 2.86 -1.36 -2.49 114.93 119.00 1nwd h MET 109 Ca 0.21 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1nwd h MET 109 Cb 0.42 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1nwd h MET 109 CO 0.01 0.53 0.38 1.15 1.06 0.00 0.00 176.91 180.03 1nwd h THR 110 N 0.29 1.06 -0.60 2.22 2.02 -1.05 -2.87 112.91 113.99 1nwd h THR 110 Ca 0.09 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1nwd h THR 110 Cb 0.28 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1nwd h THR 110 CO 0.00 0.13 0.32 -1.13 0.37 0.00 0.00 175.52 175.21 1nwd h ASN 111 N 0.74 0.46 0.15 4.18 -0.73 -0.89 -2.91 115.58 116.58 1nwd h ASN 111 Ca 0.25 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1nwd h ASN 111 Cb 0.04 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 1nwd h ASN 111 CO -0.11 0.31 -0.22 0.25 -0.37 0.00 0.00 177.43 177.29 1nwd h LEU 112 N 0.60 -0.62 0.00 0.34 6.46 -1.30 -3.48 115.31 117.31 1nwd h LEU 112 Ca 0.27 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1nwd h LEU 112 Cb 0.17 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1nwd h LEU 112 CO -0.18 -0.27 0.00 0.61 -0.62 0.00 0.00 178.44 177.99 1nwd n GLY 113 N -1.23 -0.23 3.64 3.75 0.00 -1.10 -5.13 105.19 104.89 1nwd n GLY 113 Ca -0.05 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1nwd n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nwd s GLU 114 N 0.00 0.39 -0.74 1.61 -1.05 -1.23 -5.03 118.70 112.65 1nwd s GLU 114 Ca 0.00 0.62 0.03 0.00 -0.15 0.00 0.00 54.97 55.47 1nwd s GLU 114 Cb 0.00 0.10 0.30 0.00 -0.44 0.00 0.00 34.13 34.09 1nwd s GLU 114 CO 0.00 -0.07 1.08 0.36 0.95 0.00 0.00 175.26 177.57 1nwd n LYS 115 N 3.35 3.48 -3.50 -4.83 0.00 -1.26 -3.84 118.16 111.55 1nwd n LYS 115 Ca -0.17 -4.72 -0.37 0.00 -0.00 0.00 0.00 58.31 53.04 1nwd n LYS 115 Cb 0.57 -2.32 -0.06 0.00 -0.00 0.00 0.00 35.03 33.22 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1nwd s LEU 116 N -3.12 4.36 0.32 -5.58 1.43 -1.26 -5.05 118.68 109.78 1nwd s LEU 116 Ca 0.41 0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 1nwd s LEU 116 Cb 0.18 -2.51 -0.10 0.00 0.03 0.00 0.00 46.19 43.79 1nwd s LEU 116 CO -0.05 0.19 1.31 0.42 0.23 0.00 0.00 176.35 178.45 1nwd s THR 117 N -0.24 2.76 -1.41 5.49 -4.23 -1.26 -4.93 115.64 111.82 1nwd s THR 117 Ca 0.21 0.75 0.19 0.00 -1.18 0.00 0.00 61.69 61.67 1nwd s THR 117 Cb -0.15 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.54 1nwd s THR 117 CO 0.09 0.17 1.60 -0.90 -0.54 0.00 0.00 174.62 175.04 1nwd n ASP 118 N 0.94 0.00 -0.21 3.99 5.68 -1.26 -2.61 116.55 123.09 1nwd n ASP 118 Ca 0.00 0.03 -0.09 0.00 -0.50 0.00 0.00 54.79 54.24 1nwd n ASP 118 Cb 0.42 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 40.12 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nwd h GLU 119 N 0.00 1.03 -0.92 0.11 -0.00 -2.00 -2.76 114.58 110.04 1nwd h GLU 119 Ca 0.00 -0.32 0.06 0.00 -0.00 0.00 0.00 59.36 59.10 1nwd h GLU 119 Cb 0.19 -0.10 -0.06 0.00 -0.00 0.00 0.00 28.75 28.78 1nwd h GLU 119 CO 0.00 1.01 0.60 0.93 -0.00 0.00 0.00 179.01 181.55 1nwd h GLU 120 N 0.93 1.05 0.29 1.06 5.08 -1.89 -2.03 114.58 119.07 1nwd h GLU 120 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1nwd h GLU 120 Cb 0.53 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1nwd h GLU 120 CO 0.03 0.70 -0.14 0.28 -1.00 0.00 0.00 179.01 178.87 1nwd h VAL 121 N 1.08 0.72 -0.61 3.13 2.07 -1.66 -2.61 116.25 118.38 1nwd h VAL 121 Ca 0.39 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.97 1nwd h VAL 121 Cb 0.14 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1nwd h VAL 121 CO -0.14 0.01 0.23 0.44 0.02 0.00 0.00 177.57 178.13 1nwd h ASP 122 N -0.41 0.24 0.20 0.57 3.32 -1.18 -1.09 116.42 118.06 1nwd h ASP 122 Ca -0.04 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1nwd h ASP 122 Cb 0.31 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1nwd h ASP 122 CO 0.07 0.14 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.13 1nwd h GLU 123 N 0.42 -0.50 0.00 3.56 5.08 -1.29 -0.91 114.58 120.94 1nwd h GLU 123 Ca 0.31 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nwd h GLU 123 Cb 0.38 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1nwd h GLU 123 CO -0.31 -0.33 0.00 0.00 -1.00 0.00 0.00 179.01 177.37 1nwd h MET 124 N -0.52 0.00 0.11 2.33 -0.00 -1.17 -3.08 114.93 112.60 1nwd h MET 124 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.70 1nwd h MET 124 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1nwd h MET 124 CO -0.10 0.00 -0.05 0.82 -0.00 0.00 0.00 176.91 177.58 1nwd h ILE 125 N 0.00 0.00 -0.38 -0.10 2.04 -0.95 -3.40 117.51 114.72 1nwd h ILE 125 Ca 0.00 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1nwd h ILE 125 Cb 0.45 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1nwd h ILE 125 CO 0.00 0.00 0.27 0.03 0.00 0.00 0.00 178.15 178.45 1nwd h ARG 126 N -0.77 0.03 -0.09 2.37 3.08 -1.12 -1.64 114.38 116.22 1nwd h ARG 126 Ca -0.02 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1nwd h ARG 126 Cb 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1nwd h ARG 126 CO 0.03 0.02 0.21 1.05 -1.07 0.00 0.00 179.97 180.21 1nwd h GLU 127 N 0.03 0.00 -0.70 0.04 -0.00 -1.75 -3.10 114.58 109.10 1nwd h GLU 127 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.22 1nwd h GLU 127 Cb 0.68 0.00 -0.25 0.00 -0.00 0.00 0.00 28.75 29.18 1nwd h GLU 127 CO -0.01 0.00 -0.73 0.00 -0.00 0.00 0.00 179.01 178.27 1nwd n ALA 128 N -2.12 0.76 -3.52 1.06 0.00 -0.66 -5.02 120.51 111.01 1nwd n ALA 128 Ca -0.00 -2.18 -0.41 0.00 0.00 0.00 0.00 53.44 50.85 1nwd n ALA 128 Cb 0.30 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1nwd n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nwd s ASP 129 N -1.79 6.28 0.10 0.00 -1.08 -0.95 -4.59 116.67 114.64 1nwd s ASP 129 Ca 0.28 -3.24 -0.25 0.00 -0.52 0.00 0.00 52.55 48.82 1nwd s ASP 129 Cb 0.34 -2.03 -0.13 0.00 -1.46 0.00 0.00 42.92 39.64 1nwd s ASP 129 CO -0.06 -0.34 1.69 0.40 0.52 0.00 0.00 175.17 177.38 1nwd h ILE 130 N 4.44 0.73 0.39 4.11 1.08 -1.91 -3.07 117.51 123.28 1nwd h ILE 130 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1nwd h ILE 130 Cb 0.91 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1nwd h ILE 130 CO 0.83 0.00 -0.19 -0.78 -0.69 0.00 0.00 178.15 177.32 1nwd h ASP 131 N -0.27 -0.44 -2.85 1.72 1.82 -1.93 -3.49 116.42 110.98 1nwd h ASP 131 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1nwd h ASP 131 Cb 0.25 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1nwd h ASP 131 CO -0.03 -0.24 0.00 0.61 -1.61 0.00 0.00 179.24 177.97 1nwd n GLY 132 N -1.07 -0.49 2.49 -0.78 0.00 -1.16 -5.06 105.19 99.12 1nwd n GLY 132 Ca -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nwd n ASP 133 N -0.64 0.34 -2.05 1.61 5.75 -1.26 -5.00 116.55 115.30 1nwd n ASP 133 Ca 0.00 -2.08 -0.16 0.00 -0.01 0.00 0.00 54.79 52.54 1nwd n ASP 133 Cb 0.16 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 134 N -0.73 0.29 3.04 6.12 0.00 -1.26 -4.96 105.19 107.69 1nwd n GLY 134 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N -4.39 0.39 -0.49 1.61 -0.21 -1.26 -3.45 119.66 111.85 1nwd s GLN 135 Ca 0.00 -0.50 -0.14 0.00 0.02 0.00 0.00 55.36 54.74 1nwd s GLN 135 Cb 0.00 0.15 0.10 0.00 1.00 0.00 0.00 33.01 34.26 1nwd s GLN 135 CO 0.00 -0.08 0.41 0.08 -2.12 0.00 0.00 175.29 173.58 1nwd s VAL 136 N -1.39 4.95 1.06 1.09 1.01 -0.91 -4.80 120.40 121.42 1nwd s VAL 136 Ca -0.15 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 1nwd s VAL 136 Cb -0.09 -4.09 0.22 0.00 0.00 0.00 0.00 36.38 32.43 1nwd s VAL 136 CO 0.00 -0.71 1.07 0.21 0.00 0.00 0.00 175.10 175.67 1nwd s ASN 137 N 2.94 2.01 0.13 3.32 2.47 -1.26 -2.16 114.94 122.39 1nwd s ASN 137 Ca 0.04 1.26 -0.22 0.00 0.42 0.00 0.00 52.86 54.35 1nwd s ASN 137 Cb -0.27 -1.96 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 1nwd s ASN 137 CO 0.04 -3.52 1.67 0.22 -3.72 0.00 0.00 177.10 171.79 1nwd h TYR 138 N -2.16 -0.36 -0.14 0.43 5.03 -1.92 -0.32 116.97 117.53 1nwd h TYR 138 Ca -0.57 0.02 0.04 0.00 2.58 0.00 0.00 58.73 60.79 1nwd h TYR 138 Cb 1.34 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.75 1nwd h TYR 138 CO 0.27 -0.21 -0.10 0.93 -1.32 0.00 0.00 178.16 177.73 1nwd h GLU 139 N -0.18 -0.10 -0.62 1.82 4.39 -1.94 -2.91 114.58 115.03 1nwd h GLU 139 Ca 0.08 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.85 1nwd h GLU 139 Cb 0.30 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1nwd h GLU 139 CO -0.21 -0.07 0.41 0.93 -1.16 0.00 0.00 179.01 178.91 1nwd h GLU 140 N -0.11 0.60 -0.68 2.33 5.08 -1.73 -0.59 114.58 119.48 1nwd h GLU 140 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nwd h GLU 140 Cb 0.24 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1nwd h GLU 140 CO -0.21 0.40 0.43 0.35 -1.00 0.00 0.00 179.01 178.98 1nwd h PHE 141 N 0.62 0.86 0.29 4.33 3.04 -0.87 -1.69 116.94 123.53 1nwd h PHE 141 Ca 0.27 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.21 1nwd h PHE 141 Cb 0.25 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1nwd h PHE 141 CO -0.00 0.56 -0.14 0.28 -2.02 0.00 0.00 178.31 176.99 1nwd h VAL 142 N 0.92 0.00 -0.95 1.41 2.07 -1.06 -3.37 116.25 115.27 1nwd h VAL 142 Ca 0.25 -0.29 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1nwd h VAL 142 Cb -0.08 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.61 1nwd h VAL 142 CO -0.05 0.00 0.60 1.56 0.02 0.00 0.00 177.57 179.70 1nwd h GLN 143 N -0.69 0.72 -0.29 1.57 7.50 -1.27 0.78 115.11 123.42 1nwd h GLN 143 Ca -0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.05 1nwd h GLN 143 Cb 0.30 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 1nwd h GLN 143 CO 0.07 0.47 0.10 0.00 -1.50 0.00 0.00 178.83 177.97 1nwd h MET 144 N 0.74 0.40 0.00 1.46 -0.00 -1.48 -2.21 114.93 113.84 1nwd h MET 144 Ca 0.50 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 60.09 1nwd h MET 144 Cb 0.79 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.30 1nwd h MET 144 CO -0.26 0.35 -1.51 -1.33 -0.00 0.00 0.00 176.91 174.15 1nwd n MET 145 N -4.41 0.63 -3.22 -0.10 2.81 -0.74 -4.59 117.12 107.50 1nwd n MET 145 Ca 0.01 0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.67 1nwd n MET 145 Cb 0.14 -1.70 -0.06 0.00 -0.71 0.00 0.00 33.22 30.88 1nwd n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1nwd n THR 146 N -2.60 2.48 -2.75 2.03 -1.04 0.19 -5.07 114.28 107.52 1nwd n THR 146 Ca -0.06 -5.31 -0.43 0.00 -2.04 0.00 0.00 64.05 56.21 1nwd n THR 146 Cb 0.67 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd s ALA 147 N -2.82 3.23 -2.98 2.41 0.00 -0.87 -4.47 121.76 116.26 1nwd s ALA 147 Ca 0.43 -0.66 0.24 0.00 0.00 0.00 0.00 51.96 51.98 1nwd s ALA 147 Cb 0.21 -3.71 0.23 0.00 0.00 0.00 0.00 23.12 19.85 1nwd s ALA 147 CO -0.07 -2.07 1.28 1.63 0.00 0.00 0.00 175.76 176.54