#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 -3.21 0.00 8.00 -1.26 -4.93 116.55 115.16 1nwd n ASP 2 Ca 0.00 0.13 0.01 0.00 0.71 0.00 0.00 54.79 55.64 1nwd n ASP 2 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1nwd n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1nwd s GLN 3 N -0.27 0.81 -0.00 -1.24 0.74 -1.26 -5.06 119.66 113.38 1nwd s GLN 3 Ca 0.00 -0.25 -0.05 0.00 0.05 0.00 0.00 55.36 55.11 1nwd s GLN 3 Cb 0.00 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 1nwd s GLN 3 CO 0.00 -1.18 -0.11 1.47 -0.55 0.00 0.00 175.29 174.92 1nwd n LEU 4 N 4.43 1.15 -4.51 3.68 -0.00 -1.26 -5.07 117.00 115.42 1nwd n LEU 4 Ca 0.11 0.17 -0.31 0.00 -0.00 0.00 0.00 56.01 55.98 1nwd n LEU 4 Cb 0.57 -0.43 -0.12 0.00 -0.00 0.00 0.00 43.42 43.44 1nwd n LEU 4 CO 0.01 -0.56 -0.46 -0.89 -0.00 0.00 0.00 177.39 175.49 1nwd s THR 5 N -2.08 3.06 -2.00 1.47 2.01 -1.26 -5.03 115.64 111.81 1nwd s THR 5 Ca -0.09 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 60.86 1nwd s THR 5 Cb 0.01 -2.33 0.18 0.00 0.01 0.00 0.00 72.50 70.38 1nwd s THR 5 CO 0.13 0.31 0.87 -1.84 -0.69 0.00 0.00 174.62 173.40 1nwd n GLU 6 N 1.40 0.54 0.07 4.92 0.28 -1.26 -3.30 120.64 123.30 1nwd n GLU 6 Ca -0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.73 1nwd n GLU 6 Cb 0.52 -1.18 -0.05 0.00 1.43 0.00 0.00 31.44 32.16 1nwd n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1nwd h GLU 7 N 0.00 -0.25 -0.08 3.44 4.22 -1.99 -1.46 114.58 118.47 1nwd h GLU 7 Ca 0.00 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.50 1nwd h GLU 7 Cb 0.00 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1nwd h GLU 7 CO 0.00 -0.17 -0.30 1.96 -2.18 0.00 0.00 179.01 178.33 1nwd h GLN 8 N -0.26 -0.39 0.28 1.92 4.20 -1.99 -1.29 115.11 117.58 1nwd h GLN 8 Ca 0.04 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1nwd h GLN 8 Cb 0.30 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1nwd h GLN 8 CO -0.11 -0.26 -0.37 0.82 -0.67 0.00 0.00 178.83 178.24 1nwd h ILE 9 N -0.40 0.00 -0.78 2.54 2.04 -1.76 -2.53 117.51 116.61 1nwd h ILE 9 Ca 0.08 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.13 1nwd h ILE 9 Cb 0.52 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.48 1nwd h ILE 9 CO -0.30 0.00 0.13 0.00 0.00 0.00 0.00 178.15 177.98 1nwd h ALA 10 N -1.05 0.98 -0.24 1.87 0.00 -1.17 -1.26 119.26 118.39 1nwd h ALA 10 Ca -0.03 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1nwd h ALA 10 Cb 0.60 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1nwd h ALA 10 CO -0.09 -0.40 0.04 1.49 0.00 0.00 0.00 179.25 180.28 1nwd h GLU 11 N 0.19 0.13 -0.01 0.00 4.57 -1.08 -2.30 114.58 116.08 1nwd h GLU 11 Ca 0.45 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.55 1nwd h GLU 11 Cb 0.82 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1nwd h GLU 11 CO -0.61 0.08 -0.34 0.74 -1.18 0.00 0.00 179.01 177.71 1nwd h PHE 12 N 0.13 0.02 -0.21 0.92 0.04 -0.82 -1.54 116.94 115.48 1nwd h PHE 12 Ca 0.11 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 1nwd h PHE 12 Cb 0.11 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1nwd h PHE 12 CO -0.16 0.36 -0.31 0.87 -0.60 0.00 0.00 178.31 178.48 1nwd h LYS 13 N 0.02 0.58 -0.87 1.51 1.57 -1.11 -2.02 116.57 116.25 1nwd h LYS 13 Ca -0.00 -0.34 0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1nwd h LYS 13 Cb 0.62 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1nwd h LYS 13 CO 0.05 0.94 0.52 1.49 -0.57 0.00 0.00 179.45 181.88 1nwd h GLU 14 N 0.25 0.86 0.31 3.15 4.57 -1.32 -2.52 114.58 119.88 1nwd h GLU 14 Ca 0.02 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1nwd h GLU 14 Cb 0.89 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1nwd h GLU 14 CO 0.07 0.57 -0.15 0.00 -1.18 0.00 0.00 179.01 178.32 1nwd h ALA 15 N 1.46 -0.41 -0.19 2.92 0.00 -1.11 -2.90 119.26 119.03 1nwd h ALA 15 Ca 0.41 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1nwd h ALA 15 Cb 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 15 CO -0.23 -0.69 -0.05 0.35 0.00 0.00 0.00 179.25 178.63 1nwd h PHE 16 N -0.49 -0.10 -0.06 0.00 3.57 -1.33 -2.97 116.94 115.56 1nwd h PHE 16 Ca -0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1nwd h PHE 16 Cb 0.37 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1nwd h PHE 16 CO -0.03 -0.08 0.04 0.66 -2.23 0.00 0.00 178.31 176.66 1nwd h SER 17 N 0.00 0.05 -0.11 0.41 4.64 -1.44 -2.78 113.55 114.31 1nwd h SER 17 Ca 0.09 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1nwd h SER 17 Cb 0.14 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1nwd h SER 17 CO -0.19 0.03 0.04 0.25 -0.87 0.00 0.00 176.83 176.09 1nwd h LEU 18 N 0.05 0.15 -0.19 5.97 5.85 -1.33 -2.93 115.31 122.89 1nwd h LEU 18 Ca 0.02 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1nwd h LEU 18 Cb 0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1nwd h LEU 18 CO -0.00 0.28 0.09 -0.26 -0.34 0.00 0.00 178.44 178.20 1nwd h PHE 19 N 0.02 0.26 -1.51 1.25 0.04 -1.65 -3.37 116.94 111.98 1nwd h PHE 19 Ca 0.04 -0.01 -0.72 0.00 2.80 0.00 0.00 57.97 60.08 1nwd h PHE 19 Cb 0.17 -0.08 -0.13 0.00 2.20 0.00 0.00 35.95 38.10 1nwd h PHE 19 CO -0.02 0.28 1.82 -3.47 -0.60 0.00 0.00 178.31 176.32 1nwd n ASP 20 N -4.88 5.04 -0.24 2.17 2.03 -1.06 -4.76 116.55 114.85 1nwd n ASP 20 Ca -0.04 -2.96 -0.02 0.00 0.52 0.00 0.00 54.79 52.29 1nwd n ASP 20 Cb 0.09 -1.64 0.17 0.00 -0.72 0.00 0.00 41.12 39.02 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 7.13 1.05 -0.43 -0.67 6.56 -1.74 -3.30 116.57 125.17 1nwd h LYS 21 Ca 0.39 -0.13 0.08 0.00 -1.06 0.00 0.00 60.65 59.93 1nwd h LYS 21 Cb 0.84 -0.20 -0.09 0.00 -0.57 0.00 0.00 32.23 32.20 1nwd h LYS 21 CO 1.39 0.79 -0.32 -0.44 -2.06 0.00 0.00 179.45 178.81 1nwd h ASP 22 N 1.05 -1.08 0.00 0.86 5.19 -1.92 -3.47 116.42 117.05 1nwd h ASP 22 Ca 0.26 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1nwd h ASP 22 Cb 0.06 0.51 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1nwd h ASP 22 CO -0.04 -0.32 0.00 0.61 -3.12 0.00 0.00 179.24 176.38 1nwd n GLY 23 N -1.42 3.22 0.36 2.75 0.00 -1.24 -4.97 105.19 103.90 1nwd n GLY 23 Ca 0.01 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 0.94 0.70 -0.90 1.61 2.03 -1.92 -3.47 116.42 115.41 1nwd h ASP 24 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1nwd h ASP 24 Cb 0.00 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 1nwd h ASP 24 CO 0.00 0.41 0.00 0.61 -1.03 0.00 0.00 179.24 179.23 1nwd n GLY 25 N -1.43 0.68 2.71 7.15 0.00 -1.26 -5.04 105.19 108.00 1nwd n GLY 25 Ca 0.14 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.30 -0.29 -0.21 2.61 -4.23 -1.26 -4.20 115.64 105.76 1nwd s THR 26 Ca 0.00 -0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 1nwd s THR 26 Cb 0.00 -0.89 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 1nwd s THR 26 CO 0.00 -0.59 1.48 -0.63 -0.54 0.00 0.00 174.62 174.34 1nwd s ILE 27 N 1.86 3.89 0.39 2.99 1.01 -0.72 -4.74 121.20 125.87 1nwd s ILE 27 Ca 0.13 1.03 0.05 0.00 0.00 0.00 0.00 60.65 61.86 1nwd s ILE 27 Cb -0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1nwd s ILE 27 CO -0.19 -0.29 0.19 1.07 0.00 0.00 0.00 174.94 175.72 1nwd n THR 28 N 6.08 0.00 0.23 2.92 5.66 -1.26 -1.49 114.28 126.41 1nwd n THR 28 Ca 0.17 -2.41 -0.15 0.00 -3.05 0.00 0.00 64.05 58.61 1nwd n THR 28 Cb 0.45 0.97 -0.08 0.00 -1.55 0.00 0.00 70.33 70.13 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 1.80 0.41 -0.37 1.09 1.35 -1.85 -0.79 112.91 114.56 1nwd h THR 29 Ca -0.29 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.60 1nwd h THR 29 Cb 1.22 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1nwd h THR 29 CO 0.45 0.00 0.17 0.50 -0.25 0.00 0.00 175.52 176.40 1nwd h LYS 30 N -0.65 0.34 -0.64 4.72 3.64 -1.95 -0.80 116.57 121.23 1nwd h LYS 30 Ca -0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1nwd h LYS 30 Cb 0.56 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1nwd h LYS 30 CO 0.00 0.23 0.32 1.49 -2.27 0.00 0.00 179.45 179.22 1nwd h GLU 31 N 0.35 0.91 -0.73 1.90 4.81 -1.92 -0.85 114.58 119.05 1nwd h GLU 31 Ca 0.16 -0.12 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1nwd h GLU 31 Cb 0.09 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 1nwd h GLU 31 CO -0.12 0.71 0.39 -0.07 -0.73 0.00 0.00 179.01 179.19 1nwd h LEU 32 N 0.87 0.55 -0.72 1.64 -0.00 -0.87 -2.80 115.31 113.98 1nwd h LEU 32 Ca 0.22 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1nwd h LEU 32 Cb 0.09 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.66 1nwd h LEU 32 CO -0.03 0.32 0.45 1.23 -0.00 0.00 0.00 178.44 180.41 1nwd h GLY 33 N 0.68 1.03 0.95 0.83 0.00 -0.30 -3.22 103.07 103.04 1nwd h GLY 33 Ca 0.35 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1nwd h GLY 33 CO -0.24 0.40 0.30 -0.84 0.00 0.00 0.00 176.54 176.16 1nwd h THR 34 N 0.98 1.09 0.24 4.70 2.02 -0.91 -0.89 112.91 120.14 1nwd h THR 34 Ca 0.26 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1nwd h THR 34 Cb -0.06 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1nwd h THR 34 CO -0.05 0.11 -0.47 0.58 0.37 0.00 0.00 175.52 176.05 1nwd h VAL 35 N 0.60 0.08 -0.59 3.16 2.07 -1.56 -0.77 116.25 119.23 1nwd h VAL 35 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.80 1nwd h VAL 35 Cb -0.03 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.73 1nwd h VAL 35 CO -0.06 0.00 0.17 0.24 0.02 0.00 0.00 177.57 177.94 1nwd h MET 36 N -0.79 0.31 -0.27 1.57 2.86 -1.55 -2.74 114.93 114.32 1nwd h MET 36 Ca -0.01 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1nwd h MET 36 Cb 0.76 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 1nwd h MET 36 CO -0.20 0.20 0.09 0.00 1.06 0.00 0.00 176.91 178.06 1nwd h ARG 37 N 0.31 0.20 -1.63 1.72 2.47 -0.88 -1.98 114.38 114.60 1nwd h ARG 37 Ca 0.31 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 1nwd h ARG 37 Cb 0.42 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1nwd h ARG 37 CO -0.36 0.13 0.00 -1.13 0.56 0.00 0.00 179.97 179.18 1nwd n SER 38 N -5.04 4.43 0.07 7.04 3.41 -0.32 -3.73 113.62 119.48 1nwd n SER 38 Ca -0.01 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1nwd n SER 38 Cb 0.10 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1nwd n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nwd n LEU 39 N 1.13 -0.45 0.00 1.04 4.77 -1.13 -5.00 117.00 117.35 1nwd n LEU 39 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1nwd n LEU 39 Cb 0.50 0.56 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1nwd n LEU 39 CO 0.00 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 1nwd n GLY 40 N 0.83 -0.25 3.18 -0.72 0.00 -0.99 -5.15 105.19 102.09 1nwd n GLY 40 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.62 -0.48 1.61 -0.21 -0.78 -5.03 119.66 115.39 1nwd s GLN 41 Ca 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 55.05 1nwd s GLN 41 Cb 0.00 0.26 0.21 0.00 1.00 0.00 0.00 33.01 34.49 1nwd s GLN 41 CO 0.00 -0.17 0.70 0.27 -2.12 0.00 0.00 175.29 173.98 1nwd n ASN 42 N 1.14 -2.36 -3.43 5.90 6.94 -1.26 -2.73 115.26 119.47 1nwd n ASN 42 Ca -0.21 -2.95 -0.25 0.00 -0.02 0.00 0.00 54.58 51.15 1nwd n ASN 42 Cb 0.57 1.13 0.20 0.00 -2.36 0.00 0.00 39.78 39.32 1nwd n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1nwd n PRO 43 N 2.26 -2.41 -2.76 -0.53 -0.02 -1.26 -5.03 135.00 125.24 1nwd n PRO 43 Ca 0.17 -1.53 -0.41 0.00 -2.02 0.00 0.00 63.50 59.72 1nwd n PRO 43 Cb 0.57 -1.32 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 1nwd n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nwd s THR 44 N -2.84 4.39 0.15 3.45 2.01 -1.26 -5.00 115.64 116.54 1nwd s THR 44 Ca 0.60 2.04 -0.20 0.00 0.31 0.00 0.00 61.69 64.44 1nwd s THR 44 Cb -0.05 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 68.18 1nwd s THR 44 CO 0.45 0.38 1.67 -0.08 -0.69 0.00 0.00 174.62 176.35 1nwd h GLU 45 N 5.16 -0.09 -0.50 4.92 4.81 -1.99 -2.80 114.58 124.08 1nwd h GLU 45 Ca -0.44 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.89 1nwd h GLU 45 Cb 1.21 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1nwd h GLU 45 CO 0.71 -0.06 0.05 0.00 -0.73 0.00 0.00 179.01 178.97 1nwd h ALA 46 N 1.11 0.52 -0.27 2.92 0.00 -2.00 -1.88 119.26 119.66 1nwd h ALA 46 Ca 0.14 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1nwd h ALA 46 Cb 0.30 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 46 CO -0.32 -0.35 -0.08 0.93 0.00 0.00 0.00 179.25 179.43 1nwd h GLU 47 N 0.17 -0.02 0.00 0.00 4.39 -1.93 -1.91 114.58 115.28 1nwd h GLU 47 Ca 0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1nwd h GLU 47 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1nwd h GLU 47 CO -0.37 -0.01 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.37 1nwd h LEU 48 N -0.02 0.00 0.11 1.33 3.38 -1.12 -2.57 115.31 116.42 1nwd h LEU 48 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1nwd h LEU 48 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1nwd h LEU 48 CO -0.29 0.02 -0.05 -0.61 0.09 0.00 0.00 178.44 177.59 1nwd h GLN 49 N 0.00 -0.14 -0.36 1.13 4.15 -0.80 -3.36 115.11 115.74 1nwd h GLN 49 Ca -0.00 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.50 1nwd h GLN 49 Cb 0.05 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 1nwd h GLN 49 CO 0.00 0.26 -0.08 -0.44 -1.93 0.00 0.00 178.83 176.64 1nwd h ASP 50 N -0.96 -0.32 -0.93 -0.69 3.32 -1.12 -1.13 116.42 114.60 1nwd h ASP 50 Ca -0.01 0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.30 1nwd h ASP 50 Cb 0.47 0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.14 1nwd h ASP 50 CO 0.02 -0.11 0.52 0.00 -1.72 0.00 0.00 179.24 177.96 1nwd h MET 51 N 0.01 0.69 0.36 3.56 -0.00 -1.66 -0.87 114.93 117.02 1nwd h MET 51 Ca 0.17 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.81 1nwd h MET 51 Cb 0.26 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1nwd h MET 51 CO -0.36 0.46 -0.17 0.82 -0.00 0.00 0.00 176.91 177.65 1nwd h ILE 52 N 0.71 0.52 0.00 -0.10 2.04 -1.54 -3.34 117.51 115.80 1nwd h ILE 52 Ca 0.51 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1nwd h ILE 52 Cb 0.74 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1nwd h ILE 52 CO -0.37 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.47 1nwd n ASN 53 N -5.14 0.67 0.22 1.72 4.13 -0.49 -1.63 115.26 114.74 1nwd n ASN 53 Ca -0.09 0.66 0.18 0.00 1.68 0.00 0.00 54.58 57.00 1nwd n ASN 53 Cb 0.28 -0.80 0.78 0.00 -1.54 0.00 0.00 39.78 38.49 1nwd n ASN 53 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1nwd h GLU 54 N 0.00 0.00 0.00 3.52 3.07 -1.30 -3.11 114.58 116.76 1nwd h GLU 54 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1nwd h GLU 54 Cb 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1nwd h GLU 54 CO 0.00 0.00 -1.27 0.28 -1.40 0.00 0.00 179.01 176.62 1nwd n VAL 55 N -3.30 0.15 -2.33 3.13 0.31 -0.65 -2.64 118.33 113.01 1nwd n VAL 55 Ca 0.03 -0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 1nwd n VAL 55 Cb 0.50 -0.19 -0.03 0.00 -0.91 0.00 0.00 33.84 33.21 1nwd n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nwd s ASP 56 N -3.04 5.98 0.13 4.52 2.15 -1.16 -3.62 116.67 121.63 1nwd s ASP 56 Ca -0.02 0.28 -0.22 0.00 0.43 0.00 0.00 52.55 53.02 1nwd s ASP 56 Cb 0.02 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1nwd s ASP 56 CO 0.20 -1.83 1.66 0.00 -0.17 0.00 0.00 175.17 175.04 1nwd h ALA 57 N 11.69 -0.09 -0.67 3.66 0.00 -1.86 -2.26 119.26 129.73 1nwd h ALA 57 Ca -0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1nwd h ALA 57 Cb 1.10 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1nwd h ALA 57 CO 1.19 -0.62 0.40 0.38 0.00 0.00 0.00 179.25 180.60 1nwd h ASP 58 N -0.20 0.81 -3.93 0.00 2.03 -1.94 -3.49 116.42 109.70 1nwd h ASP 58 Ca 0.09 -0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.20 1nwd h ASP 58 Cb 0.34 -0.21 0.09 0.00 -0.83 0.00 0.00 39.33 38.72 1nwd h ASP 58 CO -0.24 0.64 -0.37 0.61 -1.03 0.00 0.00 179.24 178.85 1nwd n GLY 59 N -1.14 0.02 0.09 7.15 0.00 -0.85 -5.02 105.19 105.44 1nwd n GLY 59 Ca 0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.16 1.87 0.00 1.61 5.03 -1.26 -5.04 115.26 115.30 1nwd n ASN 60 Ca -0.07 0.48 0.00 0.00 0.87 0.00 0.00 54.58 55.86 1nwd n ASN 60 Cb 0.56 -0.86 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 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 1.49 0.39 2.90 7.41 0.00 -1.26 -5.14 105.19 110.97 1nwd n GLY 61 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.12 0.47 -0.40 2.61 -4.23 -1.26 -4.28 115.64 107.42 1nwd s THR 62 Ca 0.00 -0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1nwd s THR 62 Cb 0.00 -0.48 0.10 0.00 1.34 0.00 0.00 72.50 73.46 1nwd s THR 62 CO 0.00 0.19 0.20 -0.63 -0.54 0.00 0.00 174.62 173.84 1nwd s ILE 63 N 0.65 3.54 1.28 2.99 -1.09 -0.56 -4.96 121.20 123.05 1nwd s ILE 63 Ca -0.08 -1.80 -0.21 0.00 -2.23 0.00 0.00 60.65 56.33 1nwd s ILE 63 Cb -0.11 -3.31 0.31 0.00 -1.58 0.00 0.00 42.46 37.77 1nwd s ILE 63 CO -0.00 -0.58 1.06 -1.81 -1.23 0.00 0.00 174.94 172.37 1nwd s ASP 64 N 1.90 0.25 0.08 3.58 1.01 -1.26 -1.76 116.67 120.46 1nwd s ASP 64 Ca 0.05 0.67 -0.32 0.00 0.71 0.00 0.00 52.55 53.66 1nwd s ASP 64 Cb -0.23 -0.93 -0.18 0.00 1.01 0.00 0.00 42.92 42.60 1nwd s ASP 64 CO -0.02 -4.54 1.63 0.15 0.21 0.00 0.00 175.17 172.60 1nwd h PHE 65 N -2.86 -0.84 -0.73 4.23 3.04 -1.97 -0.93 116.94 116.87 1nwd h PHE 65 Ca -0.44 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 61.61 1nwd h PHE 65 Cb 1.30 0.29 -0.08 0.00 2.56 0.00 0.00 35.95 40.03 1nwd h PHE 65 CO -2.58 -0.50 0.35 -1.35 -2.02 0.00 0.00 178.31 172.20 1nwd h PRO 66 N -0.84 0.54 0.00 6.41 0.11 -1.97 -1.78 132.00 134.46 1nwd h PRO 66 Ca -0.07 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1nwd h PRO 66 Cb 0.67 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1nwd h PRO 66 CO 0.10 0.36 -0.21 0.93 -0.21 0.00 0.00 178.00 178.97 1nwd h GLU 67 N 0.56 0.00 0.19 1.05 5.08 -1.87 -1.62 114.58 117.97 1nwd h GLU 67 Ca 0.38 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.40 1nwd h GLU 67 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1nwd h GLU 67 CO -0.31 0.21 -1.59 0.35 -1.00 0.00 0.00 179.01 176.66 1nwd h PHE 68 N 0.00 0.72 -0.81 4.33 3.57 -0.42 -1.19 116.94 123.15 1nwd h PHE 68 Ca -0.00 -0.53 0.12 0.00 3.53 0.00 0.00 57.97 61.09 1nwd h PHE 68 Cb 0.47 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 1nwd h PHE 68 CO 0.00 1.55 0.42 -0.07 -2.23 0.00 0.00 178.31 177.98 1nwd h LEU 69 N 0.11 0.53 0.16 0.59 3.38 -1.23 -1.21 115.31 117.64 1nwd h LEU 69 Ca -0.28 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nwd h LEU 69 Cb 2.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1nwd h LEU 69 CO 0.21 0.26 -0.08 0.74 0.09 0.00 0.00 178.44 179.66 1nwd h THR 70 N 0.65 0.84 -0.25 0.22 2.02 -1.34 -3.05 112.91 112.00 1nwd h THR 70 Ca 0.42 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.66 1nwd h THR 70 Cb 0.52 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 1nwd h THR 70 CO -0.32 0.00 -0.18 -0.03 0.37 0.00 0.00 175.52 175.36 1nwd h MET 71 N -0.22 -0.16 0.20 6.66 -1.53 -0.02 0.04 114.93 119.91 1nwd h MET 71 Ca -0.02 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1nwd h MET 71 Cb 0.17 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.25 1nwd h MET 71 CO 0.04 -0.11 -0.10 0.52 0.14 0.00 0.00 176.91 177.40 1nwd h MET 72 N -0.16 -0.26 0.51 0.39 2.86 -1.52 -3.29 114.93 113.46 1nwd h MET 72 Ca 0.14 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1nwd h MET 72 Cb 0.38 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.10 1nwd h MET 72 CO -0.35 -0.17 -0.25 0.00 1.06 0.00 0.00 176.91 177.20 1nwd h ALA 73 N -1.42 -0.74 0.11 6.32 0.00 -1.57 -3.39 119.26 118.58 1nwd h ALA 73 Ca -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1nwd h ALA 73 Cb 0.21 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nwd h ALA 73 CO 0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 179.25 178.55 1nwd h ARG 74 N -1.10 -0.14 -1.12 0.00 -0.00 -1.49 -3.47 114.38 107.05 1nwd h ARG 74 Ca -0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1nwd h ARG 74 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.53 1nwd h ARG 74 CO 0.12 -0.10 -0.27 1.17 0.00 0.00 0.00 179.97 180.89 1nwd n LYS 75 N -2.93 -1.40 0.00 0.04 0.00 -0.08 -4.53 118.16 109.26 1nwd n LYS 75 Ca -0.02 1.03 0.00 0.00 0.00 0.00 0.00 58.31 59.32 1nwd n LYS 75 Cb 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.94 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 -0.70 0.00 -0.86 1.64 1.56 -1.26 -4.82 117.12 112.68 1nwd n MET 76 Ca 0.00 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.17 1nwd n MET 76 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 1nwd n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1nwd n LYS 77 N -0.33 2.39 -4.32 2.12 2.85 -1.08 -4.80 118.16 114.99 1nwd n LYS 77 Ca 0.00 -1.61 -0.17 0.00 -1.05 0.00 0.00 58.31 55.48 1nwd n LYS 77 Cb 0.00 -2.53 -0.10 0.00 -0.65 0.00 0.00 35.03 31.75 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1nwd s ASP 78 N 3.20 1.30 0.00 -5.58 1.01 -1.26 -4.67 116.67 110.66 1nwd s ASP 78 Ca 0.45 -1.44 0.00 0.00 0.71 0.00 0.00 52.55 52.28 1nwd s ASP 78 Cb 0.12 0.23 0.00 0.00 1.01 0.00 0.00 42.92 44.28 1nwd s ASP 78 CO -0.04 -0.78 0.43 0.35 0.21 0.00 0.00 175.17 175.34 1nwd n THR 79 N -0.50 0.00 -1.60 -1.27 -2.24 -1.26 -4.17 114.28 103.23 1nwd n THR 79 Ca 0.00 0.81 -0.40 0.00 -2.27 0.00 0.00 64.05 62.20 1nwd n THR 79 Cb 0.66 -1.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.30 1nwd n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nwd n ASP 80 N -1.02 8.32 -0.88 3.42 8.00 -1.26 -4.70 116.55 128.43 1nwd n ASP 80 Ca 0.00 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1nwd n ASP 80 Cb 0.00 -1.48 0.08 0.00 -0.02 0.00 0.00 41.12 39.70 1nwd n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nwd n SER 81 N 2.93 2.21 -0.01 -2.24 7.64 -1.26 -3.74 113.62 119.14 1nwd n SER 81 Ca 0.71 -2.22 -0.16 0.00 1.01 0.00 0.00 58.87 58.21 1nwd n SER 81 Cb 0.24 -0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 1nwd n SER 81 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1nwd h GLU 82 N 0.75 0.28 0.00 1.43 4.11 -1.84 -3.20 114.58 116.12 1nwd h GLU 82 Ca 0.02 -0.30 -0.03 0.00 0.07 0.00 0.00 59.36 59.13 1nwd h GLU 82 Cb 0.91 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1nwd h GLU 82 CO 0.13 1.00 -0.12 0.93 0.07 0.00 0.00 179.01 181.01 1nwd h GLU 83 N -0.31 0.00 -0.00 1.06 5.08 -1.95 -2.82 114.58 115.64 1nwd h GLU 83 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1nwd h GLU 83 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1nwd h GLU 83 CO 0.08 0.12 -0.44 0.93 -1.00 0.00 0.00 179.01 178.70 1nwd h GLU 84 N 0.00 0.00 0.33 2.33 5.08 -1.74 0.65 114.58 121.23 1nwd h GLU 84 Ca -0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1nwd h GLU 84 Cb 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1nwd h GLU 84 CO 0.02 0.44 -0.16 0.82 -1.00 0.00 0.00 179.01 179.13 1nwd h ILE 85 N 0.00 0.62 -0.80 3.13 1.08 -1.49 -1.63 117.51 118.42 1nwd h ILE 85 Ca -0.00 -0.65 0.15 0.00 -0.39 0.00 0.00 64.86 63.97 1nwd h ILE 85 Cb 0.78 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 1nwd h ILE 85 CO 0.06 0.11 0.53 0.03 -0.69 0.00 0.00 178.15 178.19 1nwd h ARG 86 N -0.83 0.49 0.52 2.37 3.08 -1.42 -1.00 114.38 117.59 1nwd h ARG 86 Ca -0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1nwd h ARG 86 Cb 0.52 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1nwd h ARG 86 CO 0.07 0.32 -0.25 1.49 -1.07 0.00 0.00 179.97 180.54 1nwd h GLU 87 N 0.50 -0.68 -0.84 0.04 4.81 -0.92 -3.21 114.58 114.28 1nwd h GLU 87 Ca 0.40 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.87 1nwd h GLU 87 Cb 0.81 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.23 1nwd h GLU 87 CO -0.15 -0.37 0.33 0.00 -0.73 0.00 0.00 179.01 178.09 1nwd h ALA 88 N -0.70 1.27 -0.43 2.92 0.00 -0.40 -0.31 119.26 121.60 1nwd h ALA 88 Ca -0.07 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1nwd h ALA 88 Cb 0.62 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1nwd h ALA 88 CO 0.12 -0.32 -0.15 0.74 0.00 0.00 0.00 179.25 179.63 1nwd h PHE 89 N 0.38 -0.36 0.00 0.00 -1.00 -1.28 -1.91 116.94 112.76 1nwd h PHE 89 Ca 0.51 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.33 1nwd h PHE 89 Cb 0.92 0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1nwd h PHE 89 CO -0.18 -0.24 0.00 0.54 -1.61 0.00 0.00 178.31 176.83 1nwd n ARG 90 N -5.36 0.20 -0.00 1.51 1.74 -0.23 -0.96 116.66 113.56 1nwd n ARG 90 Ca 0.03 0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1nwd n ARG 90 Cb 0.27 -1.75 -0.10 0.00 -1.02 0.00 0.00 32.46 29.86 1nwd n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1nwd h VAL 91 N 0.00 1.34 -0.12 1.55 2.07 -0.75 -3.36 116.25 116.98 1nwd h VAL 91 Ca 0.00 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1nwd h VAL 91 Cb 0.64 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1nwd h VAL 91 CO 0.00 0.28 0.02 -0.26 0.02 0.00 0.00 177.57 177.63 1nwd h PHE 92 N -0.50 0.20 -3.67 1.57 0.04 -1.20 -3.45 116.94 109.93 1nwd h PHE 92 Ca -0.00 -0.03 -0.50 0.00 2.80 0.00 0.00 57.97 60.25 1nwd h PHE 92 Cb 0.48 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.59 1nwd h PHE 92 CO 0.09 0.37 0.11 -0.51 -0.60 0.00 0.00 178.31 177.78 1nwd s ASP 93 N -5.62 6.45 -0.01 2.17 1.01 -0.13 -4.45 116.67 116.09 1nwd s ASP 93 Ca -0.14 1.08 0.19 0.00 0.71 0.00 0.00 52.55 54.38 1nwd s ASP 93 Cb 0.06 -2.30 -0.23 0.00 1.01 0.00 0.00 42.92 41.45 1nwd s ASP 93 CO 0.70 -0.45 0.69 0.29 0.21 0.00 0.00 175.17 176.61 1nwd n LYS 94 N -1.56 0.73 -0.08 8.23 4.76 -1.26 -4.68 118.16 124.30 1nwd n LYS 94 Ca 0.02 -0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.26 1nwd n LYS 94 Cb 0.54 -1.41 -0.05 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.66 1.54 -2.29 4.39 5.68 -1.26 -5.09 116.55 117.85 1nwd n ASP 95 Ca 0.01 0.26 -0.04 0.00 -0.50 0.00 0.00 54.79 54.52 1nwd n ASP 95 Cb 0.36 -0.60 0.02 0.00 -1.14 0.00 0.00 41.12 39.75 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nwd n GLY 96 N 1.88 -0.34 2.35 6.12 0.00 -1.26 -4.99 105.19 108.94 1nwd n GLY 96 Ca -0.26 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1nwd n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwd n ASN 97 N -1.94 6.82 -3.91 1.61 6.94 -1.26 -4.87 115.26 118.65 1nwd n ASN 97 Ca -0.02 -3.78 -0.28 0.00 -0.02 0.00 0.00 54.58 50.47 1nwd n ASN 97 Cb 0.53 -0.80 0.02 0.00 -2.36 0.00 0.00 39.78 37.17 1nwd n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nwd n GLY 98 N -0.79 -0.42 3.64 4.83 0.00 -1.26 -4.95 105.19 106.25 1nwd n GLY 98 Ca 0.56 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.45 -0.17 -0.25 1.61 2.02 -1.26 -4.63 117.35 111.22 1nwd s TYR 99 Ca 0.46 0.39 0.03 0.00 -0.37 0.00 0.00 57.07 57.57 1nwd s TYR 99 Cb -0.23 0.46 0.06 0.00 -0.40 0.00 0.00 41.96 41.84 1nwd s TYR 99 CO 0.84 -0.10 -0.11 0.42 -1.57 0.00 0.00 175.55 175.03 1nwd s ILE 100 N -0.22 2.10 0.43 2.71 1.01 -0.57 -4.70 121.20 121.95 1nwd s ILE 100 Ca 0.06 -1.55 -0.24 0.00 0.00 0.00 0.00 60.65 58.92 1nwd s ILE 100 Cb -0.04 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 1nwd s ILE 100 CO -0.11 0.00 1.14 -0.44 0.00 0.00 0.00 174.94 175.53 1nwd s SER 101 N 1.14 6.42 0.22 3.58 0.01 -1.26 -1.10 113.70 122.70 1nwd s SER 101 Ca -0.08 2.25 -0.09 0.00 1.31 0.00 0.00 55.95 59.34 1nwd s SER 101 Cb -0.19 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.67 1nwd s SER 101 CO -0.06 -0.74 1.85 0.00 0.41 0.00 0.00 173.24 174.70 1nwd h ALA 102 N 2.32 0.99 0.05 1.44 0.00 -1.99 -1.00 119.26 121.08 1nwd h ALA 102 Ca -0.49 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1nwd h ALA 102 Cb 1.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1nwd h ALA 102 CO 0.61 0.24 -0.17 0.00 0.00 0.00 0.00 179.25 179.93 1nwd h ALA 103 N 1.33 -0.25 -0.84 0.00 0.00 -1.96 -1.50 119.26 116.05 1nwd h ALA 103 Ca 0.31 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1nwd h ALA 103 Cb 0.06 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1nwd h ALA 103 CO -0.13 -0.68 0.55 0.93 0.00 0.00 0.00 179.25 179.93 1nwd h GLU 104 N -0.30 0.96 -0.57 0.00 5.08 -1.83 -0.65 114.58 117.27 1nwd h GLU 104 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nwd h GLU 104 Cb 0.35 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1nwd h GLU 104 CO -0.13 0.64 0.32 -0.07 -1.00 0.00 0.00 179.01 178.78 1nwd h LEU 105 N 0.99 0.70 -0.65 1.33 3.38 -0.75 -2.83 115.31 117.49 1nwd h LEU 105 Ca 0.35 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 1nwd h LEU 105 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1nwd h LEU 105 CO -0.11 0.58 -0.61 -0.09 0.09 0.00 0.00 178.44 178.30 1nwd h ARG 106 N 0.77 0.24 0.70 1.13 1.12 -0.87 -3.13 114.38 114.34 1nwd h ARG 106 Ca 0.20 -0.16 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 1nwd h ARG 106 Cb 0.02 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 1nwd h ARG 106 CO -0.03 0.77 -0.45 1.25 -3.11 0.00 0.00 179.97 178.39 1nwd h HIS 107 N 0.18 -1.21 -0.69 2.20 2.76 -0.90 -1.22 115.15 116.27 1nwd h HIS 107 Ca -0.01 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1nwd h HIS 107 Cb 1.11 0.44 -0.04 0.00 1.55 0.00 0.00 27.41 30.47 1nwd h HIS 107 CO 0.02 -0.67 0.45 -0.24 -1.30 0.00 0.00 177.93 176.19 1nwd h VAL 108 N -1.09 1.05 0.02 5.26 3.04 -1.63 -1.58 116.25 121.32 1nwd h VAL 108 Ca -0.09 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1nwd h VAL 108 Cb 0.89 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1nwd h VAL 108 CO 0.08 0.14 -0.01 0.24 -1.01 0.00 0.00 177.57 177.01 1nwd h MET 109 N 0.77 -0.03 -0.63 4.17 2.07 -1.45 -3.22 114.93 116.61 1nwd h MET 109 Ca 0.29 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.84 1nwd h MET 109 Cb 0.17 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 1nwd h MET 109 CO -0.09 0.08 0.09 1.15 1.07 0.00 0.00 176.91 179.21 1nwd h THR 110 N -0.13 1.26 -0.92 2.22 2.02 -0.92 -3.35 112.91 113.09 1nwd h THR 110 Ca -0.00 -1.04 0.16 0.00 0.77 0.00 0.00 66.41 66.30 1nwd h THR 110 Cb 0.12 0.70 -0.16 0.00 -1.74 0.00 0.00 68.15 67.07 1nwd h THR 110 CO 0.00 0.39 -0.29 -3.20 0.37 0.00 0.00 175.52 172.79 1nwd n ASN 111 N -4.25 -0.46 0.36 4.18 5.15 -0.62 -1.82 115.26 117.80 1nwd n ASN 111 Ca 0.04 1.59 -0.18 0.00 -0.60 0.00 0.00 54.58 55.42 1nwd n ASN 111 Cb 0.29 -0.43 -0.09 0.00 -0.53 0.00 0.00 39.78 39.03 1nwd n ASN 111 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1nwd h LEU 112 N 0.00 -1.07 0.00 1.20 4.07 -1.73 -3.46 115.31 114.31 1nwd h LEU 112 Ca 0.38 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.41 1nwd h LEU 112 Cb 0.61 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1nwd h LEU 112 CO -0.93 -0.64 0.00 0.61 -1.08 0.00 0.00 178.44 176.40 1nwd n GLY 113 N -1.55 0.00 2.34 0.83 0.00 -0.76 -5.12 105.19 100.93 1nwd n GLY 113 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1nwd n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nwd n GLU 114 N 0.00 0.73 -2.19 1.61 1.02 -1.19 -5.05 120.64 115.56 1nwd n GLU 114 Ca 0.00 -3.41 -0.39 0.00 -0.02 0.00 0.00 57.16 53.34 1nwd n GLU 114 Cb 0.00 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 1nwd n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1nwd n LYS 115 N 1.97 2.62 -2.91 3.49 4.81 -1.26 -3.93 118.16 122.94 1nwd n LYS 115 Ca 0.25 -2.85 -0.24 0.00 -0.87 0.00 0.00 58.31 54.60 1nwd n LYS 115 Cb 0.49 -3.47 0.01 0.00 0.02 0.00 0.00 35.03 32.08 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1nwd s LEU 116 N 5.24 3.63 0.03 3.14 0.05 -1.26 -5.06 118.68 124.44 1nwd s LEU 116 Ca 0.57 0.43 -0.30 0.00 0.05 0.00 0.00 54.13 54.87 1nwd s LEU 116 Cb 0.05 -3.31 -0.05 0.00 -2.05 0.00 0.00 46.19 40.84 1nwd s LEU 116 CO 0.07 -0.69 1.22 0.42 -0.55 0.00 0.00 176.35 176.82 1nwd s THR 117 N -2.61 4.04 0.10 5.48 -4.23 -1.26 -4.97 115.64 112.19 1nwd s THR 117 Ca 0.48 1.44 -0.14 0.00 -1.18 0.00 0.00 61.69 62.29 1nwd s THR 117 Cb -0.10 -3.92 -0.11 0.00 1.34 0.00 0.00 72.50 69.71 1nwd s THR 117 CO 0.39 0.08 1.37 0.44 -0.54 0.00 0.00 174.62 176.36 1nwd h ASP 118 N 7.04 0.82 -0.65 3.99 5.19 -2.02 -3.29 116.42 127.51 1nwd h ASP 118 Ca -0.40 -0.53 0.13 0.00 -0.62 0.00 0.00 57.03 55.62 1nwd h ASP 118 Cb 1.20 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.43 1nwd h ASP 118 CO 0.84 1.20 0.44 1.05 -3.12 0.00 0.00 179.24 179.64 1nwd h GLU 119 N 0.48 0.30 -0.51 3.56 4.11 -2.00 -2.04 114.58 118.48 1nwd h GLU 119 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1nwd h GLU 119 Cb 1.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1nwd h GLU 119 CO 0.10 0.20 0.28 0.93 0.07 0.00 0.00 179.01 180.59 1nwd h GLU 120 N 0.31 0.70 -0.45 1.06 4.39 -1.99 -2.06 114.58 116.53 1nwd h GLU 120 Ca 0.31 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.97 1nwd h GLU 120 Cb 0.79 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1nwd h GLU 120 CO -0.08 0.54 0.23 0.28 -1.16 0.00 0.00 179.01 178.82 1nwd h VAL 121 N 0.67 0.98 -0.38 3.13 2.07 -1.55 -2.48 116.25 118.70 1nwd h VAL 121 Ca 0.18 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1nwd h VAL 121 Cb 0.04 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1nwd h VAL 121 CO -0.03 0.08 0.05 0.44 0.02 0.00 0.00 177.57 178.14 1nwd h ASP 122 N 0.46 0.53 0.47 0.57 3.32 -1.43 -2.83 116.42 117.51 1nwd h ASP 122 Ca 0.19 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1nwd h ASP 122 Cb 0.09 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1nwd h ASP 122 CO -0.13 0.56 -0.23 -0.08 -1.72 0.00 0.00 179.24 177.64 1nwd h GLU 123 N 0.55 -0.61 0.00 3.56 4.22 -0.94 -2.69 114.58 118.67 1nwd h GLU 123 Ca 0.12 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1nwd h GLU 123 Cb 0.27 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nwd h GLU 123 CO 0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 179.01 176.53 1nwd h MET 124 N -0.89 0.00 0.14 1.92 -0.00 -1.47 -0.76 114.93 113.88 1nwd h MET 124 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 1nwd h MET 124 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1nwd h MET 124 CO 0.11 0.00 -0.07 0.82 -0.00 0.00 0.00 176.91 177.77 1nwd h ILE 125 N 0.00 1.01 -0.25 -0.10 2.04 -1.50 -3.26 117.51 115.45 1nwd h ILE 125 Ca 0.00 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.18 1nwd h ILE 125 Cb 0.23 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1nwd h ILE 125 CO 0.00 0.17 0.20 0.03 0.00 0.00 0.00 178.15 178.56 1nwd h ARG 126 N -0.56 0.00 -0.98 2.37 3.08 -0.83 -2.43 114.38 115.04 1nwd h ARG 126 Ca -0.02 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.25 1nwd h ARG 126 Cb 0.43 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.39 1nwd h ARG 126 CO 0.03 0.00 0.62 0.93 -1.07 0.00 0.00 179.97 180.49 1nwd h GLU 127 N 0.00 0.51 -0.06 0.04 5.08 -1.35 -3.06 114.58 115.74 1nwd h GLU 127 Ca 0.12 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1nwd h GLU 127 Cb 0.52 -0.12 -0.37 0.00 0.50 0.00 0.00 28.75 29.28 1nwd h GLU 127 CO -0.00 0.34 -1.02 0.00 -1.00 0.00 0.00 179.01 177.33 1nwd n ALA 128 N -2.44 2.49 -1.78 3.43 0.00 -1.17 -5.10 120.51 115.94 1nwd n ALA 128 Ca 0.23 -2.47 -0.41 0.00 0.00 0.00 0.00 53.44 50.78 1nwd n ALA 128 Cb 0.71 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.33 6.42 -0.04 0.00 2.15 -0.92 -4.74 116.67 117.21 1nwd s ASP 129 Ca 0.33 2.91 -0.07 0.00 0.43 0.00 0.00 52.55 56.15 1nwd s ASP 129 Cb 0.38 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1nwd s ASP 129 CO -0.14 -0.88 -0.14 -0.38 -0.17 0.00 0.00 175.17 173.45 1nwd n ILE 130 N 2.14 1.18 -0.03 4.11 2.08 -1.26 -4.85 119.36 122.73 1nwd n ILE 130 Ca 0.08 0.20 -0.10 0.00 0.56 0.00 0.00 62.75 63.48 1nwd n ILE 130 Cb 0.38 -1.84 -0.04 0.00 -0.75 0.00 0.00 39.64 37.39 1nwd n ILE 130 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1nwd h ASP 131 N -0.41 0.10 0.00 4.38 2.03 -1.92 -3.47 116.42 117.13 1nwd h ASP 131 Ca -0.07 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1nwd h ASP 131 Cb 0.60 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1nwd h ASP 131 CO -0.04 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 1nwd n GLY 132 N -1.15 0.37 3.56 7.15 0.00 -1.26 -4.94 105.19 108.92 1nwd n GLY 132 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1nwd n GLY 132 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwd n ASP 133 N 0.00 -5.75 0.00 1.61 2.03 -1.26 -4.95 116.55 108.23 1nwd n ASP 133 Ca 0.00 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.41 1nwd n ASP 133 Cb 0.00 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwd n GLY 134 N -1.60 0.13 3.20 0.27 0.00 -1.26 -5.12 105.19 100.82 1nwd n GLY 134 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.66 0.96 -0.44 1.61 1.11 -1.26 -4.57 119.66 116.41 1nwd s GLN 135 Ca 0.00 -1.42 -0.10 0.00 0.01 0.00 0.00 55.36 53.84 1nwd s GLN 135 Cb 0.00 -0.26 0.09 0.00 -1.01 0.00 0.00 33.01 31.83 1nwd s GLN 135 CO 0.00 -0.05 0.31 0.08 0.01 0.00 0.00 175.29 175.63 1nwd s VAL 136 N -3.61 4.39 0.00 1.09 1.01 -0.26 -4.85 120.40 118.17 1nwd s VAL 136 Ca 0.17 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1nwd s VAL 136 Cb 0.05 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1nwd s VAL 136 CO -0.01 -0.60 0.00 -3.20 0.00 0.00 0.00 175.10 171.29 1nwd n ASN 137 N 4.97 0.00 -0.10 3.32 4.05 -1.26 -1.52 115.26 124.72 1nwd n ASN 137 Ca -0.10 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.72 1nwd n ASN 137 Cb 0.42 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.32 1nwd n ASN 137 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 1nwd h TYR 138 N -0.20 0.01 -0.12 1.20 0.05 -1.98 -2.05 116.97 113.87 1nwd h TYR 138 Ca 0.00 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1nwd h TYR 138 Cb 0.00 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1nwd h TYR 138 CO 0.00 1.42 0.35 0.93 -1.05 0.00 0.00 178.16 179.81 1nwd h GLU 139 N -0.99 0.00 0.00 4.88 5.08 -1.98 -1.25 114.58 120.32 1nwd h GLU 139 Ca -0.30 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1nwd h GLU 139 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1nwd h GLU 139 CO -0.18 0.00 -0.72 -1.91 -1.00 0.00 0.00 179.01 175.20 1nwd n GLU 140 N -3.16 0.48 -0.07 2.33 0.00 -1.25 -4.10 120.64 114.87 1nwd n GLU 140 Ca 0.01 0.51 -0.09 0.00 0.00 0.00 0.00 57.16 57.59 1nwd n GLU 140 Cb 0.44 -1.68 -0.02 0.00 0.00 0.00 0.00 31.44 30.18 1nwd n GLU 140 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1nwd h PHE 141 N -1.00 0.26 -0.52 4.31 3.57 -1.16 -1.33 116.94 121.07 1nwd h PHE 141 Ca -0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1nwd h PHE 141 Cb 0.71 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1nwd h PHE 141 CO -0.18 0.15 0.23 0.28 -2.23 0.00 0.00 178.31 176.57 1nwd h VAL 142 N 0.29 1.20 -0.57 1.41 2.07 -1.48 -3.09 116.25 116.07 1nwd h VAL 142 Ca 0.10 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1nwd h VAL 142 Cb 0.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1nwd h VAL 142 CO -0.06 0.23 0.25 -0.61 0.02 0.00 0.00 177.57 177.40 1nwd h GLN 143 N 0.69 0.84 -0.59 1.57 5.75 -1.62 0.11 115.11 121.85 1nwd h GLN 143 Ca 0.18 -0.14 0.12 0.00 -0.15 0.00 0.00 58.65 58.65 1nwd h GLN 143 Cb 0.15 -0.14 -0.11 0.00 1.07 0.00 0.00 27.48 28.44 1nwd h GLN 143 CO -0.02 0.71 -0.15 0.52 -2.65 0.00 0.00 178.83 177.24 1nwd h MET 144 N 0.78 -0.01 -0.00 1.69 2.86 -1.26 -1.22 114.93 117.78 1nwd h MET 144 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1nwd h MET 144 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1nwd h MET 144 CO -0.02 -0.00 -0.18 -1.33 1.06 0.00 0.00 176.91 176.44 1nwd n MET 145 N -5.41 0.15 -3.11 1.72 2.81 -0.96 -4.26 117.12 108.06 1nwd n MET 145 Ca 0.07 -0.05 -0.18 0.00 -1.81 0.00 0.00 57.70 55.73 1nwd n MET 145 Cb 0.31 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.38 -0.29 -2.62 2.03 -1.04 0.34 -5.06 114.28 106.26 1nwd n THR 146 Ca 0.08 -3.89 -0.42 0.00 -2.04 0.00 0.00 64.05 57.78 1nwd n THR 146 Cb 0.32 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.59 2.91 -0.86 2.41 0.00 -0.52 -4.57 121.76 119.53 1nwd s ALA 147 Ca 0.36 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 51.14 1nwd s ALA 147 Cb 0.29 -4.10 0.05 0.00 0.00 0.00 0.00 23.12 19.36 1nwd s ALA 147 CO -0.09 -2.95 0.72 1.63 0.00 0.00 0.00 175.76 175.06