#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd s ASP 2 N 0.00 -0.63 -0.03 0.00 2.15 -1.26 -5.18 116.67 111.72 1nwd s ASP 2 Ca 0.00 1.18 -0.26 0.00 0.43 0.00 0.00 52.55 53.90 1nwd s ASP 2 Cb 0.00 1.18 0.06 0.00 -0.30 0.00 0.00 42.92 43.85 1nwd s ASP 2 CO 0.00 -0.20 0.58 -1.58 -0.17 0.00 0.00 175.17 173.80 1nwd s GLN 3 N 0.51 0.97 0.12 4.34 2.00 -1.26 -5.19 119.66 121.16 1nwd s GLN 3 Ca -0.02 0.11 -0.06 0.00 -2.00 0.00 0.00 55.36 53.39 1nwd s GLN 3 Cb -0.04 0.45 -0.02 0.00 0.80 0.00 0.00 33.01 34.20 1nwd s GLN 3 CO -0.02 -0.30 0.17 -0.48 -0.50 0.00 0.00 175.29 174.15 1nwd s LEU 4 N -1.31 1.46 0.13 3.68 2.34 -1.26 -5.19 118.68 118.53 1nwd s LEU 4 Ca -0.11 -0.91 -0.08 0.00 0.06 0.00 0.00 54.13 53.10 1nwd s LEU 4 Cb -0.01 0.82 -0.01 0.00 -0.56 0.00 0.00 46.19 46.43 1nwd s LEU 4 CO 0.07 -0.78 0.22 0.28 -1.06 0.00 0.00 176.35 175.09 1nwd s THR 5 N -3.95 0.10 -0.89 5.48 -1.32 -1.26 -5.07 115.64 108.72 1nwd s THR 5 Ca 0.14 -1.38 0.27 0.00 -1.21 0.00 0.00 61.69 59.51 1nwd s THR 5 Cb 0.05 -1.68 0.21 0.00 -1.51 0.00 0.00 72.50 69.57 1nwd s THR 5 CO -0.04 -0.46 1.78 -0.62 -2.21 0.00 0.00 174.62 173.08 1nwd n GLU 6 N -0.14 0.10 -0.12 7.08 4.71 -1.26 -3.93 120.64 127.07 1nwd n GLU 6 Ca -0.10 0.07 -0.05 0.00 -0.01 0.00 0.00 57.16 57.08 1nwd n GLU 6 Cb 0.63 -1.60 0.03 0.00 -1.01 0.00 0.00 31.44 29.49 1nwd n GLU 6 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1nwd h GLU 7 N 0.00 0.19 -0.63 3.49 4.81 -2.00 -2.59 114.58 117.87 1nwd h GLU 7 Ca 0.00 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1nwd h GLU 7 Cb 0.59 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 1nwd h GLU 7 CO 0.00 0.13 0.25 0.37 -0.73 0.00 0.00 179.01 179.03 1nwd h GLN 8 N 0.20 0.42 0.37 1.92 -0.00 -2.00 -0.94 115.11 115.09 1nwd h GLN 8 Ca 0.20 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1nwd h GLN 8 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.63 1nwd h GLN 8 CO -0.27 0.28 -0.18 0.82 0.00 0.00 0.00 178.83 179.48 1nwd h ILE 9 N 0.44 0.64 -0.63 2.39 2.04 -1.70 -2.32 117.51 118.36 1nwd h ILE 9 Ca 0.32 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 66.12 1nwd h ILE 9 Cb 0.39 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1nwd h ILE 9 CO -0.30 0.03 0.31 0.00 0.00 0.00 0.00 178.15 178.18 1nwd h ALA 10 N 0.03 0.84 -0.32 1.87 0.00 -1.32 -2.09 119.26 118.27 1nwd h ALA 10 Ca -0.05 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1nwd h ALA 10 Cb 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1nwd h ALA 10 CO 0.08 -0.07 0.11 1.49 0.00 0.00 0.00 179.25 180.86 1nwd h GLU 11 N 0.55 0.24 -0.30 0.00 4.57 -1.04 -1.05 114.58 117.54 1nwd h GLU 11 Ca 0.30 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1nwd h GLU 11 Cb 0.28 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1nwd h GLU 11 CO -0.23 0.16 0.03 0.74 -1.18 0.00 0.00 179.01 178.52 1nwd h PHE 12 N 0.24 0.56 -0.19 0.92 -1.00 -1.20 -1.56 116.94 114.72 1nwd h PHE 12 Ca 0.15 -0.09 0.05 0.00 2.81 0.00 0.00 57.97 60.89 1nwd h PHE 12 Cb 0.12 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 39.48 1nwd h PHE 12 CO -0.14 0.63 -0.14 0.87 -1.61 0.00 0.00 178.31 177.92 1nwd h LYS 13 N 0.33 -0.13 -0.18 1.51 1.57 -1.21 -1.43 116.57 117.03 1nwd h LYS 13 Ca 0.09 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1nwd h LYS 13 Cb 0.39 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1nwd h LYS 13 CO 0.01 -0.09 -0.02 0.93 -0.57 0.00 0.00 179.45 179.71 1nwd h GLU 14 N -0.14 0.02 -0.35 3.15 5.08 -1.11 -0.79 114.58 120.46 1nwd h GLU 14 Ca 0.11 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1nwd h GLU 14 Cb 0.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1nwd h GLU 14 CO -0.27 0.02 0.11 0.00 -1.00 0.00 0.00 179.01 177.87 1nwd h ALA 15 N 1.17 0.40 -0.67 3.43 0.00 -1.09 -2.42 119.26 120.07 1nwd h ALA 15 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1nwd h ALA 15 Cb 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1nwd h ALA 15 CO -0.16 -0.28 0.31 0.35 0.00 0.00 0.00 179.25 179.46 1nwd h PHE 16 N 0.26 0.97 -0.65 0.00 3.57 -1.10 -3.23 116.94 116.77 1nwd h PHE 16 Ca 0.16 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1nwd h PHE 16 Cb 0.14 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1nwd h PHE 16 CO -0.15 0.74 0.22 1.03 -2.23 0.00 0.00 178.31 177.92 1nwd h SER 17 N 0.93 0.91 -0.12 0.41 0.87 -0.77 0.09 113.55 115.87 1nwd h SER 17 Ca 0.23 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1nwd h SER 17 Cb 0.14 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1nwd h SER 17 CO -0.03 0.84 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.98 1nwd h LEU 18 N 0.95 0.38 0.23 2.23 3.38 -1.46 -2.34 115.31 118.68 1nwd h LEU 18 Ca 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1nwd h LEU 18 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1nwd h LEU 18 CO -0.01 0.49 -0.11 -0.26 0.09 0.00 0.00 178.44 178.64 1nwd h PHE 19 N 0.38 -0.29 -1.02 1.13 -1.00 -1.55 -3.39 116.94 111.21 1nwd h PHE 19 Ca 0.08 -0.01 -0.74 0.00 2.81 0.00 0.00 57.97 60.11 1nwd h PHE 19 Cb 0.36 0.09 -0.11 0.00 3.61 0.00 0.00 35.95 39.90 1nwd h PHE 19 CO 0.01 0.09 2.45 -3.47 -1.61 0.00 0.00 178.31 175.77 1nwd n ASP 20 N -5.04 6.11 -0.07 2.17 -0.08 -0.01 -4.74 116.55 114.90 1nwd n ASP 20 Ca -0.09 -3.04 -0.08 0.00 -1.51 0.00 0.00 54.79 50.07 1nwd n ASP 20 Cb 0.26 -1.47 0.09 0.00 2.34 0.00 0.00 41.12 42.33 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1nwd h LYS 21 N 5.38 0.73 -0.93 -0.67 1.57 -1.76 -3.19 116.57 117.70 1nwd h LYS 21 Ca 0.55 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1nwd h LYS 21 Cb 0.51 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1nwd h LYS 21 CO 1.63 0.93 0.61 -0.44 -0.57 0.00 0.00 179.45 181.61 1nwd h ASP 22 N 0.62 0.99 0.00 0.86 5.19 -1.90 -3.47 116.42 118.70 1nwd h ASP 22 Ca 0.07 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1nwd h ASP 22 Cb 0.80 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1nwd h ASP 22 CO 0.07 0.67 0.00 0.61 -3.12 0.00 0.00 179.24 177.46 1nwd n GLY 23 N -1.39 2.76 0.33 2.75 0.00 -1.21 -4.98 105.19 103.45 1nwd n GLY 23 Ca 0.13 -0.82 0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 1.15 0.02 0.00 1.61 2.03 -1.92 -3.45 116.42 115.85 1nwd h ASP 24 Ca 0.00 0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1nwd h ASP 24 Cb 0.00 0.32 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1nwd h ASP 24 CO 0.00 -0.31 0.00 0.61 -1.03 0.00 0.00 179.24 178.51 1nwd n GLY 25 N -1.37 1.58 3.05 7.15 0.00 -1.26 -5.10 105.19 109.23 1nwd n GLY 25 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 0.25 -0.20 2.61 -4.23 -1.26 -3.12 115.64 107.68 1nwd s THR 26 Ca 0.00 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1nwd s THR 26 Cb 0.00 -0.88 0.05 0.00 1.34 0.00 0.00 72.50 73.01 1nwd s THR 26 CO 0.00 -0.70 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.72 1nwd s ILE 27 N -2.55 1.11 0.43 2.99 1.09 -1.21 -4.96 121.20 118.10 1nwd s ILE 27 Ca -0.04 -0.85 0.08 0.00 -1.10 0.00 0.00 60.65 58.73 1nwd s ILE 27 Cb -0.02 -1.42 0.00 0.00 -1.06 0.00 0.00 42.46 39.96 1nwd s ILE 27 CO -0.05 -0.06 0.52 0.28 -0.10 0.00 0.00 174.94 175.53 1nwd s THR 28 N 1.60 2.85 0.42 2.92 -1.32 -1.26 -3.38 115.64 117.46 1nwd s THR 28 Ca -0.02 -1.11 0.23 0.00 -1.21 0.00 0.00 61.69 59.57 1nwd s THR 28 Cb -0.17 -2.96 0.43 0.00 -1.51 0.00 0.00 72.50 68.29 1nwd s THR 28 CO -0.07 0.00 1.73 0.71 -2.21 0.00 0.00 174.62 174.78 1nwd h THR 29 N 0.74 0.40 -0.07 5.08 1.35 -1.90 -1.66 112.91 116.85 1nwd h THR 29 Ca -0.40 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1nwd h THR 29 Cb 1.28 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1nwd h THR 29 CO 0.49 0.05 0.03 0.50 -0.25 0.00 0.00 175.52 176.34 1nwd h LYS 30 N 0.28 0.10 -0.54 4.72 3.11 -1.98 -1.23 116.57 121.02 1nwd h LYS 30 Ca 0.66 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.49 1nwd h LYS 30 Cb 1.86 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 33.04 1nwd h LYS 30 CO -0.31 0.19 0.36 0.93 -2.81 0.00 0.00 179.45 177.80 1nwd h GLU 31 N -0.01 0.70 -0.07 1.90 5.08 -1.70 -0.04 114.58 120.44 1nwd h GLU 31 Ca 0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nwd h GLU 31 Cb 0.12 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1nwd h GLU 31 CO -0.00 0.47 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.16 1nwd h LEU 32 N 0.72 -0.73 -0.24 1.33 -0.00 -1.44 -1.31 115.31 113.63 1nwd h LEU 32 Ca 0.20 0.11 0.06 0.00 -0.00 0.00 0.00 57.88 58.26 1nwd h LEU 32 Cb -0.07 0.32 -0.07 0.00 -0.00 0.00 0.00 40.66 40.84 1nwd h LEU 32 CO -0.05 -0.30 -0.27 1.23 -0.00 0.00 0.00 178.44 179.04 1nwd h GLY 33 N -0.34 -0.24 0.59 0.83 0.00 -0.65 -2.11 103.07 101.16 1nwd h GLY 33 Ca 0.08 0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1nwd h GLY 33 CO -0.27 -0.21 -0.13 -0.84 0.00 0.00 0.00 176.54 175.09 1nwd h THR 34 N -0.28 0.65 0.33 4.70 2.02 -0.85 -0.82 112.91 118.66 1nwd h THR 34 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1nwd h THR 34 Cb 0.49 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1nwd h THR 34 CO -0.41 0.00 -0.27 0.58 0.37 0.00 0.00 175.52 175.79 1nwd h VAL 35 N -0.20 0.43 -0.61 3.16 2.07 -1.03 -1.08 116.25 118.99 1nwd h VAL 35 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1nwd h VAL 35 Cb 0.29 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1nwd h VAL 35 CO -0.18 0.00 0.21 0.24 0.02 0.00 0.00 177.57 177.87 1nwd h MET 36 N -0.61 0.90 0.19 1.57 2.86 -1.33 -3.00 114.93 115.50 1nwd h MET 36 Ca -0.02 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1nwd h MET 36 Cb 0.54 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1nwd h MET 36 CO -0.02 0.76 -0.09 0.00 1.06 0.00 0.00 176.91 178.62 1nwd h ARG 37 N 0.88 -0.24 -0.75 1.72 2.47 -0.63 0.73 114.38 118.55 1nwd h ARG 37 Ca 0.20 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.11 1nwd h ARG 37 Cb 0.22 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.47 1nwd h ARG 37 CO -0.01 -0.06 0.12 0.77 0.56 0.00 0.00 179.97 181.35 1nwd h SER 38 N -0.38 -0.12 0.04 7.04 0.02 -1.06 -2.73 113.55 116.36 1nwd h SER 38 Ca -0.03 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1nwd h SER 38 Cb 0.29 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1nwd h SER 38 CO 0.04 -0.11 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.54 1nwd h LEU 39 N 0.20 -0.05 0.00 5.07 3.38 -1.57 -3.49 115.31 118.85 1nwd h LEU 39 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1nwd h LEU 39 Cb 0.76 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1nwd h LEU 39 CO -0.58 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.54 1nwd n GLY 40 N 0.08 -1.68 3.24 0.83 0.00 -0.53 -5.13 105.19 101.99 1nwd n GLY 40 Ca -0.01 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 0.41 -0.71 1.61 -0.21 0.14 -4.97 119.66 115.93 1nwd s GLN 41 Ca 0.00 0.50 0.05 0.00 0.02 0.00 0.00 55.36 55.92 1nwd s GLN 41 Cb 0.00 0.20 0.18 0.00 1.00 0.00 0.00 33.01 34.39 1nwd s GLN 41 CO 0.00 -0.05 0.54 0.27 -2.12 0.00 0.00 175.29 173.93 1nwd n ASN 42 N 2.91 3.18 -4.85 5.90 6.94 -1.26 -2.17 115.26 125.91 1nwd n ASN 42 Ca -0.13 -3.24 -0.31 0.00 -0.02 0.00 0.00 54.58 50.88 1nwd n ASN 42 Cb 0.57 -0.77 0.03 0.00 -2.36 0.00 0.00 39.78 37.26 1nwd n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1nwd s PRO 43 N -1.57 3.18 -0.06 -0.53 0.04 -1.26 -5.05 135.00 129.75 1nwd s PRO 43 Ca 0.26 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 61.88 1nwd s PRO 43 Cb -0.03 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1nwd s PRO 43 CO -0.15 -0.89 0.70 0.99 0.04 0.00 0.00 177.00 177.69 1nwd s THR 44 N -3.13 5.03 0.16 1.26 2.01 -1.26 -5.01 115.64 114.70 1nwd s THR 44 Ca 0.57 1.46 -0.16 0.00 0.31 0.00 0.00 61.69 63.87 1nwd s THR 44 Cb -0.12 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1nwd s THR 44 CO 0.54 0.26 1.78 -0.08 -0.69 0.00 0.00 174.62 176.44 1nwd h GLU 45 N 6.69 0.41 -0.61 4.92 4.81 -1.96 -1.30 114.58 127.54 1nwd h GLU 45 Ca -0.41 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1nwd h GLU 45 Cb 1.20 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 1nwd h GLU 45 CO 0.75 0.27 0.25 0.00 -0.73 0.00 0.00 179.01 179.55 1nwd h ALA 46 N 1.19 0.79 -0.29 2.92 0.00 -1.99 -0.52 119.26 121.36 1nwd h ALA 46 Ca 0.16 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1nwd h ALA 46 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nwd h ALA 46 CO -0.10 -0.16 -0.32 0.93 0.00 0.00 0.00 179.25 179.60 1nwd h GLU 47 N 0.44 0.62 -0.58 0.00 5.08 -1.89 -2.31 114.58 115.94 1nwd h GLU 47 Ca 0.30 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1nwd h GLU 47 Cb 0.35 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1nwd h GLU 47 CO -0.29 0.86 0.07 -0.07 -1.00 0.00 0.00 179.01 178.59 1nwd h LEU 48 N 0.53 0.91 0.36 1.33 3.38 -0.75 -3.12 115.31 117.95 1nwd h LEU 48 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1nwd h LEU 48 Cb 0.81 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1nwd h LEU 48 CO 0.07 0.93 -0.17 -0.61 0.09 0.00 0.00 178.44 178.74 1nwd h GLN 49 N 0.89 -0.46 -0.45 1.13 4.15 -0.91 -3.33 115.11 116.13 1nwd h GLN 49 Ca 0.18 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.70 1nwd h GLN 49 Cb 0.43 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 1nwd h GLN 49 CO 0.01 -0.31 0.12 0.22 -1.93 0.00 0.00 178.83 176.94 1nwd h ASP 50 N -0.71 0.07 -0.92 -0.69 3.58 -1.55 -1.30 116.42 114.90 1nwd h ASP 50 Ca -0.05 0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.57 1nwd h ASP 50 Cb 0.37 0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.43 1nwd h ASP 50 CO 0.08 0.07 0.59 0.00 -2.88 0.00 0.00 179.24 177.11 1nwd h MET 51 N 0.27 0.90 -0.03 0.28 -0.00 -1.71 -0.28 114.93 114.36 1nwd h MET 51 Ca 0.22 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.80 1nwd h MET 51 Cb 0.26 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 1nwd h MET 51 CO -0.26 0.59 -0.23 0.82 -0.00 0.00 0.00 176.91 177.83 1nwd h ILE 52 N 0.92 1.50 -0.04 -0.10 1.08 -1.59 -3.34 117.51 115.94 1nwd h ILE 52 Ca 0.43 -1.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.13 1nwd h ILE 52 Cb 0.42 2.57 -0.00 0.00 -3.07 0.00 0.00 36.82 36.74 1nwd h ILE 52 CO -0.19 0.49 0.03 -1.13 -0.69 0.00 0.00 178.15 176.66 1nwd h ASN 53 N -0.41 0.00 -0.77 1.72 -0.73 -0.45 -1.67 115.58 113.27 1nwd h ASN 53 Ca -0.02 0.00 0.18 0.00 1.87 0.00 0.00 56.30 58.33 1nwd h ASN 53 Cb 0.92 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 39.39 1nwd h ASN 53 CO 0.05 0.00 0.08 -0.33 -0.37 0.00 0.00 177.43 176.85 1nwd h GLU 54 N 0.00 0.15 -1.04 6.67 3.07 -1.20 -2.33 114.58 119.89 1nwd h GLU 54 Ca 0.02 -0.01 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 1nwd h GLU 54 Cb 0.08 -0.03 -0.28 0.00 -0.84 0.00 0.00 28.75 27.68 1nwd h GLU 54 CO -0.00 0.10 0.80 0.28 -1.40 0.00 0.00 179.01 178.79 1nwd n VAL 55 N -5.29 3.48 -3.65 3.13 0.31 -0.63 -4.78 118.33 110.91 1nwd n VAL 55 Ca 0.15 -2.64 -0.28 0.00 -0.01 0.00 0.00 64.34 61.55 1nwd n VAL 55 Cb 0.51 -1.06 -0.16 0.00 -0.91 0.00 0.00 33.84 32.22 1nwd n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1nwd s ASP 56 N -1.57 3.22 0.06 4.52 1.01 -0.88 -4.52 116.67 118.52 1nwd s ASP 56 Ca 0.61 -1.09 -0.24 0.00 0.71 0.00 0.00 52.55 52.53 1nwd s ASP 56 Cb 0.48 -0.50 -0.16 0.00 1.01 0.00 0.00 42.92 43.75 1nwd s ASP 56 CO 0.01 -0.38 1.61 0.00 0.21 0.00 0.00 175.17 176.62 1nwd h ALA 57 N 8.30 -0.08 -0.76 5.23 0.00 -1.84 -2.61 119.26 127.50 1nwd h ALA 57 Ca -0.17 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.81 1nwd h ALA 57 Cb 1.07 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1nwd h ALA 57 CO 0.39 -0.48 0.33 0.38 0.00 0.00 0.00 179.25 179.86 1nwd h ASP 58 N -0.20 0.34 -4.81 0.00 2.03 -1.96 -3.47 116.42 108.34 1nwd h ASP 58 Ca -0.01 0.10 -0.27 0.00 -0.73 0.00 0.00 57.03 56.13 1nwd h ASP 58 Cb 0.17 0.06 0.13 0.00 -0.83 0.00 0.00 39.33 38.86 1nwd h ASP 58 CO 0.01 0.14 -0.58 0.61 -1.03 0.00 0.00 179.24 178.39 1nwd n GLY 59 N -1.32 -0.19 0.07 7.15 0.00 -0.99 -4.98 105.19 104.94 1nwd n GLY 59 Ca 0.14 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1nwd n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nwd h ASN 60 N -1.59 0.06 0.00 1.61 -0.26 -1.92 -3.49 115.58 109.98 1nwd h ASN 60 Ca -0.45 -0.96 0.00 0.00 -0.56 0.00 0.00 56.30 54.32 1nwd h ASN 60 Cb 1.27 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1nwd h ASN 60 CO 0.40 1.02 0.00 0.61 -1.06 0.00 0.00 177.43 178.39 1nwd n GLY 61 N 1.53 1.01 2.88 2.83 0.00 -1.26 -5.12 105.19 107.06 1nwd n GLY 61 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 -0.56 -0.83 2.61 -4.23 -1.26 -4.70 115.64 104.67 1nwd s THR 62 Ca 0.00 -0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.11 1nwd s THR 62 Cb 0.00 -0.84 0.04 0.00 1.34 0.00 0.00 72.50 73.04 1nwd s THR 62 CO 0.00 -0.18 1.34 -0.51 -0.54 0.00 0.00 174.62 174.73 1nwd s ILE 63 N 2.51 3.78 1.03 2.99 1.10 -1.22 -4.90 121.20 126.49 1nwd s ILE 63 Ca 0.11 0.02 -0.15 0.00 -0.51 0.00 0.00 60.65 60.13 1nwd s ILE 63 Cb -0.15 -4.96 0.20 0.00 0.15 0.00 0.00 42.46 37.71 1nwd s ILE 63 CO -0.19 -1.88 1.14 -1.81 -2.11 0.00 0.00 174.94 170.10 1nwd s ASP 64 N 4.19 2.44 0.13 4.50 1.11 -1.26 -3.29 116.67 124.49 1nwd s ASP 64 Ca 0.39 0.82 -0.23 0.00 0.18 0.00 0.00 52.55 53.71 1nwd s ASP 64 Cb -0.05 -1.25 -0.04 0.00 1.07 0.00 0.00 42.92 42.65 1nwd s ASP 64 CO 0.07 -3.20 1.67 0.15 1.18 0.00 0.00 175.17 175.03 1nwd h PHE 65 N -1.95 -0.41 -0.15 4.23 3.04 -1.93 -0.87 116.94 118.90 1nwd h PHE 65 Ca -0.49 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.50 1nwd h PHE 65 Cb 1.31 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.99 1nwd h PHE 65 CO -0.62 -0.23 0.01 -1.35 -2.02 0.00 0.00 178.31 174.10 1nwd h PRO 66 N -0.22 0.06 -0.51 6.41 0.11 -1.94 -3.05 132.00 132.86 1nwd h PRO 66 Ca 0.08 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1nwd h PRO 66 Cb 0.33 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 1nwd h PRO 66 CO -0.22 0.04 0.29 0.93 -0.21 0.00 0.00 178.00 178.83 1nwd h GLU 67 N 0.06 0.70 0.10 1.05 5.08 -1.83 -0.30 114.58 119.44 1nwd h GLU 67 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nwd h GLU 67 Cb 0.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nwd h GLU 67 CO -0.11 0.51 -0.05 0.35 -1.00 0.00 0.00 179.01 178.71 1nwd h PHE 68 N 0.71 -0.12 -0.99 4.33 3.04 -1.15 -0.29 116.94 122.47 1nwd h PHE 68 Ca 0.18 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.19 1nwd h PHE 68 Cb 0.00 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.49 1nwd h PHE 68 CO 0.00 0.34 0.64 -0.07 -2.02 0.00 0.00 178.31 177.20 1nwd h LEU 69 N -0.65 1.04 0.33 0.59 4.07 -1.42 -2.66 115.31 116.61 1nwd h LEU 69 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1nwd h LEU 69 Cb 0.52 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1nwd h LEU 69 CO 0.02 0.68 -0.18 0.74 -1.08 0.00 0.00 178.44 178.63 1nwd h THR 70 N 1.19 0.00 -0.70 0.22 2.02 -1.08 -2.74 112.91 111.82 1nwd h THR 70 Ca 0.41 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.70 1nwd h THR 70 Cb 0.10 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.40 1nwd h THR 70 CO -0.15 0.00 -0.28 0.80 0.37 0.00 0.00 175.52 176.26 1nwd n MET 71 N -3.35 -0.17 -0.03 6.66 0.00 -0.12 -0.26 117.12 119.84 1nwd n MET 71 Ca -0.06 1.08 -0.14 0.00 -0.00 0.00 0.00 57.70 58.58 1nwd n MET 71 Cb 0.19 -1.60 -0.11 0.00 0.00 0.00 0.00 33.22 31.70 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 0.09 0.00 2.12 2.07 -1.58 -3.35 114.93 114.29 1nwd h MET 72 Ca 0.24 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 1nwd h MET 72 Cb 0.42 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.16 1nwd h MET 72 CO -0.69 0.75 -0.00 0.00 1.07 0.00 0.00 176.91 178.03 1nwd h ALA 73 N 0.34 0.00 0.00 6.32 0.00 -1.00 -3.44 119.26 121.49 1nwd h ALA 73 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nwd h ALA 73 Cb 0.77 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nwd h ALA 73 CO 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.19 1nwd h ARG 74 N -0.01 0.00 -0.19 0.00 -0.00 -1.03 -3.47 114.38 109.67 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 0.05 0.00 1.17 0.00 0.00 0.00 179.97 181.19 1nwd n LYS 75 N -4.75 0.00 0.00 0.04 4.81 0.64 -3.32 118.16 115.58 1nwd n LYS 75 Ca -0.02 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1nwd n LYS 75 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.11 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1nwd n MET 76 N 2.17 0.00 -2.38 1.64 1.56 -1.26 -4.43 117.12 114.42 1nwd n MET 76 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.00 1nwd n MET 76 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 -0.53 3.27 0.00 2.12 0.00 -1.26 -4.67 118.16 117.09 1nwd n LYS 77 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 58.31 55.00 1nwd n LYS 77 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 35.03 31.86 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 5.87 0.32 -0.00 3.14 8.00 -1.26 -4.58 116.55 128.03 1nwd n ASP 78 Ca 0.44 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.94 1nwd n ASP 78 Cb 0.41 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.00 0.00 -0.79 -3.53 1.35 -1.99 -3.41 112.91 104.54 1nwd h THR 79 Ca 0.00 -0.03 -0.73 0.00 -0.55 0.00 0.00 66.41 65.11 1nwd h THR 79 Cb 0.00 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.33 1nwd h THR 79 CO 0.00 0.00 2.68 0.47 -0.25 0.00 0.00 175.52 178.42 1nwd n ASP 80 N -2.29 6.13 -0.05 5.36 8.00 -1.26 -4.69 116.55 127.75 1nwd n ASP 80 Ca -0.00 -2.97 -0.15 0.00 0.71 0.00 0.00 54.79 52.38 1nwd n ASP 80 Cb 0.01 -1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 39.47 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 5.40 0.09 -0.31 -2.24 0.02 -1.82 -3.29 113.55 111.40 1nwd h SER 81 Ca 0.59 -0.98 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1nwd h SER 81 Cb 0.50 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1nwd h SER 81 CO 1.68 1.06 0.25 1.05 -1.14 0.00 0.00 176.83 179.73 1nwd h GLU 82 N -0.87 0.00 -0.78 3.45 4.11 -1.76 -1.81 114.58 116.92 1nwd h GLU 82 Ca -0.03 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.56 1nwd h GLU 82 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1nwd h GLU 82 CO 0.03 0.00 0.52 1.49 0.07 0.00 0.00 179.01 181.12 1nwd h GLU 83 N 0.00 0.43 -0.11 1.06 4.81 -1.83 -1.77 114.58 117.16 1nwd h GLU 83 Ca 0.15 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1nwd h GLU 83 Cb 0.65 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1nwd h GLU 83 CO -0.00 0.28 -0.02 0.93 -0.73 0.00 0.00 179.01 179.47 1nwd h GLU 84 N 0.44 0.21 -0.72 1.92 4.39 -1.49 0.56 114.58 119.88 1nwd h GLU 84 Ca 0.39 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1nwd h GLU 84 Cb 0.87 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 1nwd h GLU 84 CO -0.13 0.51 0.46 0.82 -1.16 0.00 0.00 179.01 179.51 1nwd h ILE 85 N -0.10 1.10 -0.18 3.13 1.08 -1.65 -1.69 117.51 119.20 1nwd h ILE 85 Ca 0.03 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1nwd h ILE 85 Cb 0.43 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1nwd h ILE 85 CO 0.01 0.16 0.05 -0.09 -0.69 0.00 0.00 178.15 177.59 1nwd h ARG 86 N 0.89 0.29 -0.48 2.37 9.65 -1.17 -2.00 114.38 123.93 1nwd h ARG 86 Ca 0.29 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 59.18 1nwd h ARG 86 Cb 0.02 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.50 1nwd h ARG 86 CO -0.11 0.42 0.12 1.49 2.80 0.00 0.00 179.97 184.69 1nwd h GLU 87 N 0.10 0.26 -0.78 0.20 4.81 -0.81 -1.50 114.58 116.85 1nwd h GLU 87 Ca 0.06 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1nwd h GLU 87 Cb 0.26 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1nwd h GLU 87 CO 0.00 0.17 0.48 0.00 -0.73 0.00 0.00 179.01 178.92 1nwd h ALA 88 N 1.36 1.05 0.00 2.92 0.00 -1.20 -1.92 119.26 121.47 1nwd h ALA 88 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1nwd h ALA 88 Cb 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nwd h ALA 88 CO -0.29 0.22 -0.11 0.74 0.00 0.00 0.00 179.25 179.80 1nwd h PHE 89 N 0.88 0.00 -0.47 0.00 0.04 -0.53 -0.43 116.94 116.43 1nwd h PHE 89 Ca 0.33 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.99 1nwd h PHE 89 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1nwd h PHE 89 CO -0.04 0.11 -0.14 0.00 -0.60 0.00 0.00 178.31 177.64 1nwd h ARG 90 N 0.00 0.93 -0.06 1.51 2.47 -0.51 0.60 114.38 119.33 1nwd h ARG 90 Ca -0.00 -0.37 -0.02 0.00 -1.26 0.00 0.00 59.98 58.33 1nwd h ARG 90 Cb 0.38 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1nwd h ARG 90 CO 0.01 1.03 -0.03 0.28 0.56 0.00 0.00 179.97 181.82 1nwd h VAL 91 N 0.78 1.33 0.06 2.04 2.07 -1.27 -3.39 116.25 117.87 1nwd h VAL 91 Ca 0.12 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1nwd h VAL 91 Cb 0.70 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1nwd h VAL 91 CO 0.05 0.29 -0.03 -0.26 0.02 0.00 0.00 177.57 177.64 1nwd h PHE 92 N -0.28 -0.07 -3.35 1.57 -1.00 -1.13 -3.44 116.94 109.24 1nwd h PHE 92 Ca 0.01 -0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.20 1nwd h PHE 92 Cb 0.48 0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.98 1nwd h PHE 92 CO 0.07 -0.05 0.57 0.34 -1.61 0.00 0.00 178.31 177.64 1nwd s ASP 93 N -3.12 6.80 0.30 2.17 2.15 0.20 -4.58 116.67 120.59 1nwd s ASP 93 Ca -0.01 0.88 0.04 0.00 0.43 0.00 0.00 52.55 53.89 1nwd s ASP 93 Cb 0.00 -2.46 0.48 0.00 -0.30 0.00 0.00 42.92 40.64 1nwd s ASP 93 CO 0.03 -0.69 1.77 0.11 -0.17 0.00 0.00 175.17 176.22 1nwd h LYS 94 N 8.00 0.46 0.27 4.34 1.79 -1.80 -3.29 116.57 126.33 1nwd h LYS 94 Ca -0.23 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.08 1nwd h LYS 94 Cb 1.08 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1nwd h LYS 94 CO 0.93 0.64 -0.13 -0.44 -1.08 0.00 0.00 179.45 179.38 1nwd h ASP 95 N 0.41 -0.30 -3.56 0.86 3.32 -1.92 -3.50 116.42 111.73 1nwd h ASP 95 Ca 0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nwd h ASP 95 Cb 0.59 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1nwd h ASP 95 CO 0.04 -0.13 -0.02 0.61 -1.72 0.00 0.00 179.24 178.03 1nwd n GLY 96 N 0.01 -0.57 0.84 2.75 0.00 -1.24 -5.04 105.19 101.93 1nwd n GLY 96 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.07 0.12 -3.14 1.61 6.94 -1.26 -5.01 115.26 113.45 1nwd n ASN 97 Ca 0.00 -1.79 -0.23 0.00 -0.02 0.00 0.00 54.58 52.54 1nwd n ASN 97 Cb 0.44 -0.11 0.04 0.00 -2.36 0.00 0.00 39.78 37.79 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 0.13 -0.53 2.96 4.83 0.00 -1.26 -4.98 105.19 106.35 1nwd n GLY 98 Ca -0.02 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.19 -1.10 -0.50 1.61 2.02 -1.25 -3.78 117.35 111.16 1nwd s TYR 99 Ca 0.36 0.15 -0.19 0.00 -0.37 0.00 0.00 57.07 57.01 1nwd s TYR 99 Cb -0.16 -0.06 0.05 0.00 -0.40 0.00 0.00 41.96 41.39 1nwd s TYR 99 CO 0.44 -1.03 0.64 0.42 -1.57 0.00 0.00 175.55 174.45 1nwd s ILE 100 N 2.20 4.85 0.59 2.71 1.09 -0.87 -4.83 121.20 126.94 1nwd s ILE 100 Ca 0.12 -0.39 -0.18 0.00 -1.10 0.00 0.00 60.65 59.10 1nwd s ILE 100 Cb -0.11 -4.30 -0.03 0.00 -1.06 0.00 0.00 42.46 36.96 1nwd s ILE 100 CO -0.19 -0.80 1.15 -0.55 -0.10 0.00 0.00 174.94 174.44 1nwd s SER 101 N 2.62 5.37 0.27 3.58 0.15 -1.26 -1.66 113.70 122.77 1nwd s SER 101 Ca 0.17 2.19 -0.01 0.00 0.70 0.00 0.00 55.95 59.00 1nwd s SER 101 Cb -0.18 -2.58 0.46 0.00 -1.71 0.00 0.00 66.02 62.01 1nwd s SER 101 CO 0.13 -1.46 1.86 0.00 1.20 0.00 0.00 173.24 174.97 1nwd h ALA 102 N 0.77 1.43 -0.18 5.45 0.00 -1.94 -1.12 119.26 123.66 1nwd h ALA 102 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nwd h ALA 102 Cb 1.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1nwd h ALA 102 CO 0.55 0.35 0.12 0.00 0.00 0.00 0.00 179.25 180.27 1nwd h ALA 103 N 1.48 0.23 -0.61 0.00 0.00 -1.93 -1.23 119.26 117.22 1nwd h ALA 103 Ca 0.46 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1nwd h ALA 103 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nwd h ALA 103 CO -0.21 -0.27 0.14 0.93 0.00 0.00 0.00 179.25 179.84 1nwd h GLU 104 N 0.23 0.95 -0.35 0.00 5.08 -1.80 -0.92 114.58 117.78 1nwd h GLU 104 Ca 0.07 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1nwd h GLU 104 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1nwd h GLU 104 CO -0.01 0.86 0.08 1.25 -1.00 0.00 0.00 179.01 180.18 1nwd h LEU 105 N 0.91 0.53 -1.27 1.33 6.46 -1.09 -2.66 115.31 119.52 1nwd h LEU 105 Ca 0.19 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1nwd h LEU 105 Cb 0.34 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1nwd h LEU 105 CO 0.00 0.63 0.47 -0.09 -0.62 0.00 0.00 178.44 178.83 1nwd h ARG 106 N 0.41 0.96 0.63 1.25 2.43 -1.09 -3.13 114.38 115.85 1nwd h ARG 106 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1nwd h ARG 106 Cb 0.31 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1nwd h ARG 106 CO 0.00 0.65 -0.34 1.25 -1.51 0.00 0.00 179.97 180.02 1nwd h HIS 107 N 0.99 -0.89 -0.72 2.20 2.76 -0.82 -1.56 115.15 117.12 1nwd h HIS 107 Ca 0.27 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.48 1nwd h HIS 107 Cb -0.10 0.30 -0.06 0.00 1.55 0.00 0.00 27.41 29.11 1nwd h HIS 107 CO 0.00 -0.53 0.42 -0.24 -1.30 0.00 0.00 177.93 176.27 1nwd h VAL 108 N -0.90 0.98 0.05 5.26 3.04 -1.58 -0.70 116.25 122.40 1nwd h VAL 108 Ca -0.08 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1nwd h VAL 108 Cb 0.71 0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 30.09 1nwd h VAL 108 CO 0.12 0.14 -0.43 0.24 -1.01 0.00 0.00 177.57 176.63 1nwd h MET 109 N 0.76 -0.59 -0.62 4.17 2.07 -1.47 -2.86 114.93 116.40 1nwd h MET 109 Ca 0.32 0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.98 1nwd h MET 109 Cb 0.19 0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 30.03 1nwd h MET 109 CO -0.18 -0.39 0.32 1.15 1.07 0.00 0.00 176.91 178.87 1nwd h THR 110 N -0.61 1.19 -1.00 2.22 2.02 -0.96 -3.16 112.91 112.61 1nwd h THR 110 Ca 0.03 -0.50 0.12 0.00 0.77 0.00 0.00 66.41 66.83 1nwd h THR 110 Cb 0.67 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 1nwd h THR 110 CO -0.29 0.22 0.63 -1.13 0.37 0.00 0.00 175.52 175.32 1nwd h ASN 111 N 0.86 0.92 0.33 4.18 -0.00 -0.89 -2.02 115.58 118.96 1nwd h ASN 111 Ca 0.22 0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.56 1nwd h ASN 111 Cb 0.05 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.21 1nwd h ASN 111 CO -0.03 0.49 -0.28 -0.07 -0.00 0.00 0.00 177.43 177.54 1nwd h LEU 112 N 0.99 -0.73 0.00 0.34 3.38 -1.55 -3.47 115.31 114.27 1nwd h LEU 112 Ca 0.49 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1nwd h LEU 112 Cb 0.48 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nwd h LEU 112 CO -0.25 -0.41 0.00 0.61 0.09 0.00 0.00 178.44 178.47 1nwd n GLY 113 N -1.40 0.29 2.51 0.83 0.00 -0.76 -5.12 105.19 101.54 1nwd n GLY 113 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1nwd n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwd s GLU 114 N 0.00 1.26 -1.03 1.61 2.02 -1.25 -5.07 118.70 116.24 1nwd s GLU 114 Ca 0.00 -2.39 -0.23 0.00 0.02 0.00 0.00 54.97 52.38 1nwd s GLU 114 Cb 0.00 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.41 1nwd s GLU 114 CO 0.00 -1.36 1.45 0.21 0.02 0.00 0.00 175.26 175.58 1nwd s LYS 115 N -0.28 3.61 0.27 1.61 2.36 -1.26 -4.13 119.74 121.91 1nwd s LYS 115 Ca 0.31 -1.18 0.11 0.00 -2.55 0.00 0.00 55.97 52.66 1nwd s LYS 115 Cb 0.02 -5.35 -0.05 0.00 -1.05 0.00 0.00 37.83 31.40 1nwd s LYS 115 CO -0.19 -2.20 -0.12 -0.51 1.55 0.00 0.00 175.35 173.89 1nwd s LEU 116 N 4.86 2.84 -0.06 5.43 1.43 -1.26 -5.11 118.68 126.82 1nwd s LEU 116 Ca 0.46 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1nwd s LEU 116 Cb -0.00 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1nwd s LEU 116 CO -0.09 0.03 1.44 0.42 0.23 0.00 0.00 176.35 178.38 1nwd s THR 117 N -2.36 3.82 -2.00 5.49 -4.23 -1.26 -4.92 115.64 110.18 1nwd s THR 117 Ca 0.30 1.09 0.17 0.00 -1.18 0.00 0.00 61.69 62.07 1nwd s THR 117 Cb -0.06 -3.70 0.50 0.00 1.34 0.00 0.00 72.50 70.58 1nwd s THR 117 CO 0.17 -0.06 1.45 -0.90 -0.54 0.00 0.00 174.62 174.75 1nwd n ASP 118 N 6.23 0.00 -0.12 3.99 5.75 -1.26 -3.65 116.55 127.49 1nwd n ASP 118 Ca 0.15 -0.67 -0.09 0.00 -0.01 0.00 0.00 54.79 54.16 1nwd n ASP 118 Cb 0.44 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1nwd h GLU 119 N 0.00 0.53 -0.89 0.11 4.11 -1.99 -1.19 114.58 115.25 1nwd h GLU 119 Ca 0.00 -0.09 0.01 0.00 0.07 0.00 0.00 59.36 59.36 1nwd h GLU 119 Cb 0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1nwd h GLU 119 CO 0.00 0.49 0.59 0.93 0.07 0.00 0.00 179.01 181.09 1nwd h GLU 120 N 0.44 1.15 -0.82 1.06 3.07 -1.99 -1.18 114.58 116.31 1nwd h GLU 120 Ca 0.12 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1nwd h GLU 120 Cb 0.15 -0.26 -0.05 0.00 -0.84 0.00 0.00 28.75 27.75 1nwd h GLU 120 CO -0.01 0.76 0.53 0.28 -1.40 0.00 0.00 179.01 179.17 1nwd h VAL 121 N 1.19 1.14 -0.39 3.13 2.07 -1.66 -2.12 116.25 119.62 1nwd h VAL 121 Ca 0.33 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1nwd h VAL 121 Cb -0.11 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 1nwd h VAL 121 CO -0.08 0.19 -0.21 0.44 0.02 0.00 0.00 177.57 177.93 1nwd h ASP 122 N 1.04 0.77 0.57 0.57 3.32 -0.75 -3.12 116.42 118.83 1nwd h ASP 122 Ca 0.32 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1nwd h ASP 122 Cb -0.02 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1nwd h ASP 122 CO -0.10 0.96 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.71 1nwd h GLU 123 N 0.67 -0.82 -1.00 3.56 3.07 -0.61 -0.62 114.58 118.83 1nwd h GLU 123 Ca 0.10 0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1nwd h GLU 123 Cb 0.71 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1nwd h GLU 123 CO 0.05 -0.55 0.02 0.00 -1.40 0.00 0.00 179.01 177.14 1nwd n MET 124 N -5.48 1.05 -0.01 2.33 0.00 -0.86 -1.11 117.12 113.05 1nwd n MET 124 Ca -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 57.70 57.44 1nwd n MET 124 Cb 0.37 -1.07 -0.01 0.00 0.00 0.00 0.00 33.22 32.51 1nwd n MET 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1nwd n ILE 125 N 0.42 0.98 -0.32 3.17 5.41 -0.95 -4.85 119.36 123.22 1nwd n ILE 125 Ca 0.02 0.27 0.14 0.00 1.00 0.00 0.00 62.75 64.18 1nwd n ILE 125 Cb 0.53 -1.76 0.33 0.00 -0.71 0.00 0.00 39.64 38.03 1nwd n ILE 125 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1nwd h ARG 126 N -0.35 0.49 -0.77 0.38 3.08 -0.85 -2.11 114.38 114.24 1nwd h ARG 126 Ca 0.00 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.18 1nwd h ARG 126 Cb 0.35 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1nwd h ARG 126 CO 0.00 0.32 0.52 1.05 -1.07 0.00 0.00 179.97 180.79 1nwd h GLU 127 N 0.50 0.36 -1.84 0.04 4.11 -1.36 -3.06 114.58 113.34 1nwd h GLU 127 Ca 0.58 -0.02 -0.52 0.00 0.07 0.00 0.00 59.36 59.47 1nwd h GLU 127 Cb 1.08 -0.08 -0.37 0.00 0.50 0.00 0.00 28.75 29.88 1nwd h GLU 127 CO -0.49 0.24 -1.07 0.00 0.07 0.00 0.00 179.01 177.76 1nwd n ALA 128 N -2.54 2.08 -3.82 1.06 0.00 -0.88 -5.04 120.51 111.38 1nwd n ALA 128 Ca 0.15 -3.24 -0.35 0.00 0.00 0.00 0.00 53.44 50.00 1nwd n ALA 128 Cb 0.58 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.36 5.10 0.08 0.00 -1.08 -0.85 -4.67 116.67 113.88 1nwd s ASP 129 Ca 0.35 -2.29 -0.31 0.00 -0.52 0.00 0.00 52.55 49.79 1nwd s ASP 129 Cb 0.20 -1.79 -0.17 0.00 -1.46 0.00 0.00 42.92 39.70 1nwd s ASP 129 CO -0.12 -0.46 1.64 0.40 0.52 0.00 0.00 175.17 177.16 1nwd h ILE 130 N 6.13 0.43 -0.79 4.11 2.04 -1.91 -3.16 117.51 124.37 1nwd h ILE 130 Ca -0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1nwd h ILE 130 Cb 1.01 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1nwd h ILE 130 CO 0.67 0.00 0.49 0.44 0.00 0.00 0.00 178.15 179.75 1nwd h ASP 131 N -0.72 0.94 -4.08 1.72 3.32 -1.95 -3.48 116.42 112.17 1nwd h ASP 131 Ca -0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1nwd h ASP 131 Cb 0.57 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1nwd h ASP 131 CO 0.08 0.71 -0.04 0.61 -1.72 0.00 0.00 179.24 178.89 1nwd n GLY 132 N -1.23 -0.77 0.00 2.75 0.00 -1.20 -5.02 105.19 99.72 1nwd n GLY 132 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.19 0.00 -2.58 1.61 5.75 -1.26 -5.03 116.55 113.85 1nwd n ASP 133 Ca 0.01 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.59 1nwd n ASP 133 Cb 0.45 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.00 -0.39 3.16 6.12 0.00 -1.26 -5.02 105.19 107.80 1nwd n GLY 134 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.44 0.85 -0.37 1.61 -0.21 -1.26 -3.29 119.66 111.56 1nwd s GLN 135 Ca 0.21 -1.28 -0.04 0.00 0.02 0.00 0.00 55.36 54.27 1nwd s GLN 135 Cb -0.09 0.26 0.08 0.00 1.00 0.00 0.00 33.01 34.25 1nwd s GLN 135 CO 0.26 -0.24 0.13 0.08 -2.12 0.00 0.00 175.29 173.41 1nwd s VAL 136 N -3.98 3.38 0.99 1.09 1.01 -0.66 -4.88 120.40 117.35 1nwd s VAL 136 Ca 0.16 -1.63 -0.12 0.00 0.00 0.00 0.00 61.98 60.38 1nwd s VAL 136 Cb 0.07 -3.11 0.18 0.00 0.00 0.00 0.00 36.38 33.52 1nwd s VAL 136 CO -0.04 -0.41 1.09 0.21 0.00 0.00 0.00 175.10 175.95 1nwd s ASN 137 N 1.62 2.67 0.07 3.32 2.47 -1.26 -2.05 114.94 121.77 1nwd s ASN 137 Ca 0.02 1.32 -0.26 0.00 0.42 0.00 0.00 52.86 54.36 1nwd s ASN 137 Cb -0.21 -2.00 -0.16 0.00 -1.45 0.00 0.00 41.25 37.42 1nwd s ASN 137 CO -0.01 -3.12 1.65 0.22 -3.72 0.00 0.00 177.10 172.11 1nwd h TYR 138 N -1.88 -0.24 -0.22 0.43 3.20 -1.98 -0.99 116.97 115.29 1nwd h TYR 138 Ca -0.54 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.37 1nwd h TYR 138 Cb 1.32 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.62 1nwd h TYR 138 CO 0.33 -0.10 -0.08 0.93 -1.64 0.00 0.00 178.16 177.60 1nwd h GLU 139 N -0.31 -0.03 -0.70 1.82 4.39 -1.94 -2.68 114.58 115.13 1nwd h GLU 139 Ca -0.03 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.81 1nwd h GLU 139 Cb 0.24 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 1nwd h GLU 139 CO 0.04 -0.02 0.24 0.93 -1.16 0.00 0.00 179.01 179.04 1nwd h GLU 140 N -0.03 0.37 -0.40 2.33 5.08 -1.85 -0.91 114.58 119.18 1nwd h GLU 140 Ca 0.11 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1nwd h GLU 140 Cb 0.20 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 140 CO -0.25 0.25 0.15 0.35 -1.00 0.00 0.00 179.01 178.51 1nwd h PHE 141 N 0.38 0.27 0.62 4.33 3.57 -0.85 0.25 116.94 125.51 1nwd h PHE 141 Ca 0.38 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 1nwd h PHE 141 Cb 0.56 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1nwd h PHE 141 CO -0.19 0.11 -0.35 0.28 -2.23 0.00 0.00 178.31 175.93 1nwd h VAL 142 N 0.32 0.28 0.00 1.41 2.07 -1.09 -3.05 116.25 116.19 1nwd h VAL 142 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1nwd h VAL 142 Cb 0.15 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1nwd h VAL 142 CO -0.18 0.00 0.00 1.56 0.02 0.00 0.00 177.57 178.97 1nwd h GLN 143 N -0.91 0.00 -0.16 1.57 7.50 -1.01 0.24 115.11 122.34 1nwd h GLN 143 Ca -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 1nwd h GLN 143 Cb 0.72 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.25 1nwd h GLN 143 CO 0.10 0.00 -0.02 0.52 -1.50 0.00 0.00 178.83 177.93 1nwd h MET 144 N 0.00 0.29 0.00 1.46 2.86 -0.46 -1.82 114.93 117.26 1nwd h MET 144 Ca 0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1nwd h MET 144 Cb 0.44 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1nwd h MET 144 CO 0.00 0.55 0.00 0.52 1.06 0.00 0.00 176.91 179.04 1nwd h MET 145 N 0.00 0.00 -2.05 1.72 2.86 -1.37 -3.36 114.93 112.74 1nwd h MET 145 Ca 0.04 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.11 1nwd h MET 145 Cb 0.44 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 31.68 1nwd h MET 145 CO 0.01 0.00 -0.75 2.41 1.06 0.00 0.00 176.91 179.64 1nwd n THR 146 N -3.07 2.46 -3.22 2.22 -1.04 0.81 -5.04 114.28 107.39 1nwd n THR 146 Ca 0.04 -5.23 -0.40 0.00 -2.04 0.00 0.00 64.05 56.41 1nwd n THR 146 Cb 0.50 -1.15 -0.08 0.00 -1.82 0.00 0.00 70.33 67.78 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 -3.35 3.55 0.00 2.41 0.00 -0.69 -4.52 121.76 119.16 1nwd s ALA 147 Ca 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1nwd s ALA 147 Cb 0.32 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1nwd s ALA 147 CO -0.14 -0.92 0.00 1.17 0.00 0.00 0.00 175.76 175.87