#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwd h SER 4 N 0.00 0.24 -0.01 1.61 4.64 -2.03 0.89 113.55 118.89 1cwd h SER 4 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1cwd h SER 4 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1cwd h SER 4 CO 0.00 -0.08 -0.58 -2.67 -0.87 0.00 0.00 176.83 172.63 1cwd n TRP 5 N -4.55 0.00 -4.25 4.77 4.27 -1.26 -4.94 117.44 111.49 1cwd n TRP 5 Ca 0.34 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.61 1cwd n TRP 5 Cb 1.33 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 31.16 1cwd n TRP 5 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1cwd s PHE 6 N -2.48 3.11 -0.03 -2.67 5.36 0.31 -0.31 117.98 121.26 1cwd s PHE 6 Ca 0.15 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.97 1cwd s PHE 6 Cb 0.16 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 1cwd s PHE 6 CO 0.61 0.03 -0.08 -0.06 -1.46 0.00 0.00 175.22 174.25 1cwd s PHE 7 N 0.38 0.95 -0.12 10.12 0.40 0.14 -3.79 117.98 126.06 1cwd s PHE 7 Ca -0.01 -0.25 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1cwd s PHE 7 Cb -0.14 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1cwd s PHE 7 CO 0.02 -0.13 0.16 0.15 0.70 0.00 0.00 175.22 176.12 1cwd s LYS 8 N 0.35 3.56 -1.28 0.44 -0.14 -1.26 -1.22 119.74 120.20 1cwd s LYS 8 Ca -0.06 -0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.45 1cwd s LYS 8 Cb -0.10 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 1cwd s LYS 8 CO 0.01 0.71 0.00 0.09 -0.76 0.00 0.00 175.35 175.40 1cwd n ASN 9 N 2.18 -5.05 -4.61 2.83 3.02 0.21 -4.88 115.26 108.96 1cwd n ASN 9 Ca -0.19 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 1cwd n ASN 9 Cb 0.54 -3.61 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 1cwd n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1cwd s LEU 10 N -2.73 4.10 0.98 3.41 2.96 -1.25 -4.63 118.68 121.52 1cwd s LEU 10 Ca 0.00 0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 54.41 1cwd s LEU 10 Cb 0.00 -3.04 0.18 0.00 0.50 0.00 0.00 46.19 43.83 1cwd s LEU 10 CO 0.00 -0.60 1.08 -0.94 -1.32 0.00 0.00 176.35 174.57 1cwd s SER 11 N 1.63 2.65 0.21 3.68 1.04 -1.26 -4.76 113.70 116.89 1cwd s SER 11 Ca 0.31 1.45 -0.10 0.00 0.48 0.00 0.00 55.95 58.10 1cwd s SER 11 Cb -0.14 -2.13 0.22 0.00 0.10 0.00 0.00 66.02 64.07 1cwd s SER 11 CO 0.13 -3.15 1.81 -0.09 0.98 0.00 0.00 173.24 172.92 1cwd h ARG 12 N -1.90 0.68 -0.01 4.02 2.43 -1.99 -2.10 114.38 115.51 1cwd h ARG 12 Ca -0.53 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.44 1cwd h ARG 12 Cb 1.31 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1cwd h ARG 12 CO 0.54 0.45 -0.74 1.57 -1.51 0.00 0.00 179.97 180.28 1cwd h LYS 13 N 0.70 0.08 -0.44 0.20 2.10 -1.99 -2.05 116.57 115.17 1cwd h LYS 13 Ca 0.29 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.83 1cwd h LYS 13 Cb 0.15 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 1cwd h LYS 13 CO -0.17 0.78 0.16 -0.44 -2.00 0.00 0.00 179.45 177.79 1cwd h ASP 14 N 0.05 0.63 -0.96 7.07 3.32 -1.81 -2.06 116.42 122.66 1cwd h ASP 14 Ca -0.02 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.90 1cwd h ASP 14 Cb 1.31 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 1cwd h ASP 14 CO 0.10 0.65 0.62 0.00 -1.72 0.00 0.00 179.24 178.89 1cwd h ALA 15 N 1.01 1.30 -0.36 3.45 0.00 -1.33 -1.71 119.26 121.62 1cwd h ALA 15 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cwd h ALA 15 Cb 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1cwd h ALA 15 CO -0.01 0.44 0.17 0.93 0.00 0.00 0.00 179.25 180.78 1cwd h GLU 16 N 1.16 0.52 -0.51 0.00 5.08 -0.94 -0.77 114.58 119.11 1cwd h GLU 16 Ca 0.40 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1cwd h GLU 16 Cb 0.10 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1cwd h GLU 16 CO -0.15 0.47 0.22 0.00 -1.00 0.00 0.00 179.01 178.54 1cwd h ARG 17 N 0.44 0.75 -0.29 2.33 2.47 -1.09 -0.46 114.38 118.53 1cwd h ARG 17 Ca 0.12 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1cwd h ARG 17 Cb 0.13 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1cwd h ARG 17 CO -0.01 0.65 0.08 0.37 0.56 0.00 0.00 179.97 181.61 1cwd h GLN 18 N 0.68 0.46 -0.19 0.04 4.15 -1.16 -3.02 115.11 116.06 1cwd h GLN 18 Ca 0.17 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 1cwd h GLN 18 Cb 0.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1cwd h GLN 18 CO -0.02 0.53 -0.39 -0.07 -1.93 0.00 0.00 178.83 176.95 1cwd h LEU 19 N 0.30 0.45 0.00 -2.39 3.38 -0.79 -2.90 115.31 113.35 1cwd h LEU 19 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1cwd h LEU 19 Cb 0.27 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cwd h LEU 19 CO -0.00 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.51 1cwd n LEU 20 N -4.03 0.00 -4.76 1.67 4.77 -0.21 -4.68 117.00 109.75 1cwd n LEU 20 Ca -0.01 0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1cwd n LEU 20 Cb 0.49 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1cwd n LEU 20 CO 0.43 -0.01 0.83 0.00 -1.33 0.00 0.00 177.39 177.32 1cwd s ALA 21 N -2.30 2.70 0.20 -1.18 0.00 -1.10 -4.94 121.76 115.13 1cwd s ALA 21 Ca 0.36 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1cwd s ALA 21 Cb 0.20 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 1cwd s ALA 21 CO 0.40 -0.96 1.49 -1.25 0.00 0.00 0.00 175.76 175.43 1cwd s PRO 22 N -3.15 4.25 0.00 0.00 0.04 -1.26 -2.34 135.00 132.54 1cwd s PRO 22 Ca 0.73 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1cwd s PRO 22 Cb -0.29 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1cwd s PRO 22 CO 0.33 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1cwd n GLY 23 N 2.98 2.02 3.90 0.56 0.00 -1.26 -5.09 105.19 108.30 1cwd n GLY 23 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1cwd n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cwd s ASN 24 N -1.75 6.39 0.52 1.61 0.01 -0.99 -5.11 114.94 115.62 1cwd s ASN 24 Ca 0.00 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 1cwd s ASN 24 Cb 0.00 -2.02 -0.00 0.00 0.41 0.00 0.00 41.25 39.64 1cwd s ASN 24 CO 0.00 0.27 0.02 0.42 -1.51 0.00 0.00 177.10 176.29 1cwd s THR 25 N -1.31 0.96 0.34 1.60 -4.23 -1.26 -4.99 115.64 106.74 1cwd s THR 25 Ca 0.27 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 1cwd s THR 25 Cb -0.13 -2.05 -0.11 0.00 1.34 0.00 0.00 72.50 71.56 1cwd s THR 25 CO 0.18 0.00 1.45 -1.00 -0.54 0.00 0.00 174.62 174.71 1cwd s HIS 26 N -2.94 2.78 0.00 3.99 3.76 -1.26 -2.01 115.29 119.62 1cwd s HIS 26 Ca 0.03 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.09 1cwd s HIS 26 Cb 0.00 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.78 1cwd s HIS 26 CO 0.02 -2.76 0.00 0.41 -0.85 0.00 0.00 174.74 171.56 1cwd n GLY 27 N 1.04 3.23 3.72 -2.22 0.00 0.12 -4.73 105.19 106.35 1cwd n GLY 27 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1cwd n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cwd n SER 28 N 0.07 2.98 -3.19 1.61 7.64 -0.85 -0.23 113.62 121.64 1cwd n SER 28 Ca 0.00 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.96 1cwd n SER 28 Cb 0.00 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 61.68 1cwd n SER 28 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1cwd s PHE 29 N -1.15 0.03 -0.15 1.43 -0.71 -1.26 -0.94 117.98 115.23 1cwd s PHE 29 Ca 0.58 -0.64 -0.29 0.00 -1.04 0.00 0.00 56.93 55.53 1cwd s PHE 29 Cb -0.51 0.80 0.09 0.00 -1.21 0.00 0.00 43.02 42.19 1cwd s PHE 29 CO 0.60 -1.47 0.82 -0.48 -1.34 0.00 0.00 175.22 173.35 1cwd s LEU 30 N -3.03 -0.57 -0.20 -1.99 0.05 -0.74 -4.90 118.68 107.29 1cwd s LEU 30 Ca 0.14 0.79 -0.05 0.00 0.05 0.00 0.00 54.13 55.06 1cwd s LEU 30 Cb -0.05 2.27 -0.03 0.00 -2.05 0.00 0.00 46.19 46.33 1cwd s LEU 30 CO 0.10 -0.41 0.01 -0.63 -0.55 0.00 0.00 176.35 174.87 1cwd s ILE 31 N -0.70 4.09 0.05 1.48 1.01 0.58 -1.64 121.20 126.07 1cwd s ILE 31 Ca -0.05 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.43 1cwd s ILE 31 Cb -0.02 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1cwd s ILE 31 CO 0.04 0.42 -0.26 0.00 0.00 0.00 0.00 174.94 175.15 1cwd s ARG 32 N 0.96 1.80 -0.16 2.79 1.70 -0.43 -0.69 118.95 124.92 1cwd s ARG 32 Ca 0.02 -1.12 -0.03 0.00 -0.47 0.00 0.00 55.73 54.13 1cwd s ARG 32 Cb -0.14 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.22 1cwd s ARG 32 CO 0.02 0.51 -0.04 -2.00 -1.08 0.00 0.00 175.30 172.71 1cwd s GLU 33 N -1.29 3.64 0.18 3.89 2.12 -0.35 -0.90 118.70 125.97 1cwd s GLU 33 Ca 0.12 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.60 1cwd s GLU 33 Cb -0.10 -2.91 -0.10 0.00 0.26 0.00 0.00 34.13 31.28 1cwd s GLU 33 CO 0.02 0.21 1.54 0.45 -0.54 0.00 0.00 175.26 176.95 1cwd s SER 34 N 0.43 6.60 0.41 -1.70 0.15 -0.04 -0.62 113.70 118.94 1cwd s SER 34 Ca -0.04 2.62 0.08 0.00 0.70 0.00 0.00 55.95 59.30 1cwd s SER 34 Cb -0.14 -2.60 0.86 0.00 -1.71 0.00 0.00 66.02 62.43 1cwd s SER 34 CO 0.03 -0.80 2.04 -0.08 1.20 0.00 0.00 173.24 175.63 1cwd h GLU 35 N 6.51 0.55 0.00 5.44 4.81 -1.89 -3.28 114.58 126.71 1cwd h GLU 35 Ca -0.43 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1cwd h GLU 35 Cb 1.21 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1cwd h GLU 35 CO 0.89 0.36 -0.02 0.66 -0.73 0.00 0.00 179.01 180.17 1cwd h SER 36 N 0.56 0.00 -3.85 1.04 4.64 -1.97 -3.42 113.55 110.55 1cwd h SER 36 Ca 0.18 -0.29 -0.77 0.00 -0.47 0.00 0.00 61.79 60.44 1cwd h SER 36 Cb 0.01 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.82 1cwd h SER 36 CO -0.04 0.66 -0.03 -0.89 -0.87 0.00 0.00 176.83 175.65 1cwd s THR 37 N -1.76 5.13 0.37 2.95 2.01 -1.24 -5.04 115.64 118.06 1cwd s THR 37 Ca -0.06 -2.53 -0.26 0.00 0.31 0.00 0.00 61.69 59.15 1cwd s THR 37 Cb -0.01 -4.21 -0.12 0.00 0.01 0.00 0.00 72.50 68.18 1cwd s THR 37 CO 0.21 -0.98 1.14 0.00 -0.69 0.00 0.00 174.62 174.29 1cwd n ALA 38 N 3.93 0.62 -0.73 7.40 0.00 -1.25 -1.47 120.51 129.01 1cwd n ALA 38 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1cwd n ALA 38 Cb 0.44 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1cwd n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cwd n GLY 39 N 1.00 0.78 3.36 0.00 0.00 -1.26 -4.98 105.19 104.09 1cwd n GLY 39 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1cwd n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cwd s SER 40 N -2.63 5.52 0.18 1.61 0.15 -0.54 -4.96 113.70 113.03 1cwd s SER 40 Ca 0.00 -0.91 0.08 0.00 0.70 0.00 0.00 55.95 55.82 1cwd s SER 40 Cb 0.00 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1cwd s SER 40 CO 0.00 -0.31 -0.03 -0.36 1.20 0.00 0.00 173.24 173.74 1cwd s PHE 41 N 1.52 2.77 0.02 3.44 0.08 -1.26 -0.86 117.98 123.69 1cwd s PHE 41 Ca 0.02 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 1cwd s PHE 41 Cb -0.19 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.90 1cwd s PHE 41 CO 0.05 0.52 -0.02 -1.12 -0.10 0.00 0.00 175.22 174.55 1cwd s SER 42 N -2.94 0.22 -0.19 1.36 0.01 -0.08 -2.64 113.70 109.44 1cwd s SER 42 Ca 0.27 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 1cwd s SER 42 Cb -0.09 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 1cwd s SER 42 CO 0.18 -0.29 -0.10 -0.22 0.41 0.00 0.00 173.24 173.21 1cwd s LEU 43 N -1.41 2.68 -0.13 2.44 2.96 0.42 -1.31 118.68 124.33 1cwd s LEU 43 Ca -0.15 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1cwd s LEU 43 Cb -0.10 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1cwd s LEU 43 CO -0.01 0.03 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.56 1cwd s SER 44 N 1.16 4.68 0.05 3.68 0.01 -0.66 -0.74 113.70 121.89 1cwd s SER 44 Ca 0.01 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.19 1cwd s SER 44 Cb -0.14 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1cwd s SER 44 CO -0.03 0.21 -0.12 -0.69 0.41 0.00 0.00 173.24 173.02 1cwd s VAL 45 N 0.08 0.92 -0.11 3.43 1.01 -0.19 -1.79 120.40 123.75 1cwd s VAL 45 Ca -0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.70 1cwd s VAL 45 Cb -0.14 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1cwd s VAL 45 CO 0.03 -0.21 0.31 -0.60 0.00 0.00 0.00 175.10 174.63 1cwd s ARG 46 N -1.51 4.03 0.25 2.72 3.52 -0.12 -0.84 118.95 127.01 1cwd s ARG 46 Ca -0.03 0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1cwd s ARG 46 Cb -0.09 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1cwd s ARG 46 CO 0.01 0.45 0.40 -3.47 -0.81 0.00 0.00 175.30 171.89 1cwd n ASP 47 N 2.82 -1.13 -4.21 -2.12 2.03 -0.48 0.10 116.55 113.56 1cwd n ASP 47 Ca -0.14 -2.24 -0.32 0.00 0.52 0.00 0.00 54.79 52.61 1cwd n ASP 47 Cb 0.52 2.02 -0.17 0.00 -0.72 0.00 0.00 41.12 42.78 1cwd n ASP 47 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1cwd s PHE 48 N -3.82 2.63 -0.20 -0.67 5.36 -1.26 -0.85 117.98 119.17 1cwd s PHE 48 Ca 0.17 -1.17 -0.07 0.00 -0.96 0.00 0.00 56.93 54.90 1cwd s PHE 48 Cb -0.02 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.86 1cwd s PHE 48 CO 0.12 -0.50 0.06 0.34 -1.46 0.00 0.00 175.22 173.78 1cwd s ASP 49 N 0.58 5.40 0.26 6.13 2.15 0.11 -4.92 116.67 126.37 1cwd s ASP 49 Ca -0.13 -0.03 -0.02 0.00 0.43 0.00 0.00 52.55 52.80 1cwd s ASP 49 Cb -0.17 -1.94 0.51 0.00 -0.30 0.00 0.00 42.92 41.03 1cwd s ASP 49 CO 0.04 0.11 1.74 -0.61 -0.17 0.00 0.00 175.17 176.27 1cwd h GLN 50 N 7.17 0.48 0.04 4.34 5.75 -2.00 0.72 115.11 131.62 1cwd h GLN 50 Ca -0.36 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.02 1cwd h GLN 50 Cb 1.17 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.62 1cwd h GLN 50 CO 0.65 0.32 -0.45 -0.91 -2.65 0.00 0.00 178.83 175.79 1cwd h ASN 51 N 0.49 0.14 -0.01 -0.69 2.35 -2.05 -3.41 115.58 112.41 1cwd h ASN 51 Ca 0.45 -0.92 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1cwd h ASN 51 Cb 0.69 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1cwd h ASN 51 CO -0.41 1.20 -0.10 1.56 -1.65 0.00 0.00 177.43 178.03 1cwd h GLN 52 N -0.79 0.09 0.00 0.81 7.50 -1.85 -3.50 115.11 117.36 1cwd h GLN 52 Ca -0.10 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 58.97 1cwd h GLN 52 Cb 1.25 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.80 1cwd h GLN 52 CO 0.02 0.79 0.00 0.41 -1.50 0.00 0.00 178.83 178.55 1cwd n GLY 53 N 0.87 0.21 3.69 3.46 0.00 0.25 -4.94 105.19 108.73 1cwd n GLY 53 Ca -0.09 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1cwd n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cwd s GLU 54 N 0.00 4.20 0.18 1.61 0.41 -1.26 0.05 118.70 123.89 1cwd s GLU 54 Ca 0.00 2.31 0.04 0.00 -0.41 0.00 0.00 54.97 56.91 1cwd s GLU 54 Cb 0.00 -3.56 -0.05 0.00 -1.78 0.00 0.00 34.13 28.74 1cwd s GLU 54 CO 0.00 -0.71 -0.05 0.14 -0.49 0.00 0.00 175.26 174.14 1cwd s VAL 55 N 2.50 1.07 -0.20 2.63 -7.23 -0.03 -4.90 120.40 114.24 1cwd s VAL 55 Ca 0.73 -2.04 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1cwd s VAL 55 Cb -0.40 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1cwd s VAL 55 CO 0.32 -0.55 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.73 1cwd s VAL 56 N -3.39 2.42 0.21 1.32 1.01 -1.26 -1.38 120.40 119.33 1cwd s VAL 56 Ca 0.22 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1cwd s VAL 56 Cb 0.04 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1cwd s VAL 56 CO 0.04 0.42 0.40 -0.54 0.00 0.00 0.00 175.10 175.42 1cwd s LYS 57 N 1.31 3.52 -0.09 2.72 1.02 -0.02 -4.90 119.74 123.31 1cwd s LYS 57 Ca 0.03 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.70 1cwd s LYS 57 Cb -0.14 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1cwd s LYS 57 CO -0.09 0.39 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.57 1cwd s HIS 58 N -1.89 1.81 -0.03 3.18 3.76 -1.26 -1.03 115.29 119.84 1cwd s HIS 58 Ca 0.38 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1cwd s HIS 58 Cb -0.11 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1cwd s HIS 58 CO 0.29 -0.37 -0.24 0.71 -0.85 0.00 0.00 174.74 174.28 1cwd s TYR 59 N 0.75 2.22 -0.24 1.40 2.02 0.08 -4.98 117.35 118.61 1cwd s TYR 59 Ca -0.12 -0.51 -0.22 0.00 -0.37 0.00 0.00 57.07 55.85 1cwd s TYR 59 Cb -0.16 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1cwd s TYR 59 CO 0.02 -0.10 0.69 0.21 -1.57 0.00 0.00 175.55 174.81 1cwd s LYS 60 N -0.40 4.16 -0.24 -0.62 2.36 -1.26 -0.44 119.74 123.30 1cwd s LYS 60 Ca 0.04 0.69 -0.19 0.00 -2.55 0.00 0.00 55.97 53.97 1cwd s LYS 60 Cb -0.11 -3.63 -0.03 0.00 -1.05 0.00 0.00 37.83 33.01 1cwd s LYS 60 CO 0.01 -0.40 0.55 0.42 1.55 0.00 0.00 175.35 177.48 1cwd s ILE 61 N 2.46 5.05 0.49 5.43 1.01 -1.08 -4.61 121.20 129.96 1cwd s ILE 61 Ca 0.30 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 1cwd s ILE 61 Cb -0.16 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.45 1cwd s ILE 61 CO 0.09 0.10 0.73 -0.13 0.00 0.00 0.00 174.94 175.73 1cwd s ARG 62 N 2.14 2.93 0.00 2.79 1.81 -0.01 -4.46 118.95 124.14 1cwd s ARG 62 Ca 0.24 -0.47 0.06 0.00 -1.72 0.00 0.00 55.73 53.84 1cwd s ARG 62 Cb -0.16 -2.50 -0.03 0.00 -0.45 0.00 0.00 34.95 31.82 1cwd s ARG 62 CO 0.09 -0.43 -0.19 -0.80 -0.68 0.00 0.00 175.30 173.28 1cwd s ASN 63 N -4.27 3.65 0.42 0.23 0.01 -1.26 -2.43 114.94 111.28 1cwd s ASN 63 Ca 0.51 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1cwd s ASN 63 Cb -0.10 -0.59 -0.02 0.00 0.41 0.00 0.00 41.25 40.95 1cwd s ASN 63 CO 0.39 0.30 0.64 -0.76 -1.51 0.00 0.00 177.10 176.16 1cwd s LEU 64 N -1.04 3.78 0.46 0.60 1.43 0.33 -4.96 118.68 119.28 1cwd s LEU 64 Ca 0.12 0.44 0.23 0.00 -1.03 0.00 0.00 54.13 53.89 1cwd s LEU 64 Cb -0.10 -3.32 1.10 0.00 0.03 0.00 0.00 46.19 43.90 1cwd s LEU 64 CO 0.02 -0.54 1.93 0.44 0.23 0.00 0.00 176.35 178.43 1cwd h ASP 65 N 0.50 0.00 -0.02 2.29 3.32 -2.00 -2.75 116.42 117.76 1cwd h ASP 65 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1cwd h ASP 65 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1cwd h ASP 65 CO 0.59 0.22 0.00 -0.46 -1.72 0.00 0.00 179.24 177.87 1cwd n ASN 66 N -3.65 0.12 0.00 6.45 6.94 -1.26 -4.86 115.26 118.99 1cwd n ASN 66 Ca -0.01 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 1cwd n ASN 66 Cb 0.34 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1cwd n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cwd n GLY 67 N 0.53 2.70 3.95 4.83 0.00 -1.04 -5.04 105.19 111.13 1cwd n GLY 67 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1cwd n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cwd s GLY 68 N -2.46 1.81 0.24 -0.02 0.00 -1.26 -4.71 107.32 100.92 1cwd s GLY 68 Ca 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 44.72 43.34 1cwd s GLY 68 CO 0.00 -0.63 -0.02 -1.36 0.00 0.00 0.00 173.10 171.09 1cwd s PHE 69 N -3.82 1.63 -0.22 1.90 0.08 -0.27 0.12 117.98 117.40 1cwd s PHE 69 Ca 0.75 -0.87 -0.28 0.00 0.12 0.00 0.00 56.93 56.65 1cwd s PHE 69 Cb -0.03 -0.94 0.14 0.00 -0.57 0.00 0.00 43.02 41.62 1cwd s PHE 69 CO 0.52 0.03 1.08 1.52 -0.10 0.00 0.00 175.22 178.27 1cwd s TYR 70 N -3.34 -0.34 -0.16 0.36 1.13 -1.02 0.33 117.35 114.32 1cwd s TYR 70 Ca 0.28 0.69 0.16 0.00 -1.41 0.00 0.00 57.07 56.79 1cwd s TYR 70 Cb 0.05 0.43 -0.23 0.00 -1.10 0.00 0.00 41.96 41.12 1cwd s TYR 70 CO 0.09 -0.25 0.10 -0.89 -2.51 0.00 0.00 175.55 172.09 1cwd n ILE 71 N 1.24 1.10 -3.87 -3.49 5.41 -1.26 -0.83 119.36 117.65 1cwd n ILE 71 Ca -0.10 -0.72 -0.21 0.00 1.00 0.00 0.00 62.75 62.72 1cwd n ILE 71 Cb 0.57 -0.47 -0.17 0.00 -0.71 0.00 0.00 39.64 38.86 1cwd n ILE 71 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1cwd s SER 72 N -5.08 1.16 0.63 4.38 0.15 -1.26 -4.90 113.70 108.79 1cwd s SER 72 Ca -0.09 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 56.75 1cwd s SER 72 Cb 0.06 -0.36 1.28 0.00 -1.71 0.00 0.00 66.02 65.28 1cwd s SER 72 CO 0.73 -0.15 1.72 -0.65 1.20 0.00 0.00 173.24 176.09 1cwd h PRO 73 N 7.89 0.00 -0.98 5.44 0.11 -2.00 -0.06 132.00 142.39 1cwd h PRO 73 Ca -0.27 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.96 1cwd h PRO 73 Cb 1.13 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1cwd h PRO 73 CO 0.34 0.00 0.62 0.00 -0.21 0.00 0.00 178.00 178.75 1cwd h ARG 74 N 0.00 0.91 -3.37 1.05 3.08 -2.02 -3.41 114.38 110.61 1cwd h ARG 74 Ca 0.13 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 1cwd h ARG 74 Cb 1.26 -0.20 -0.33 0.00 0.08 0.00 0.00 29.97 30.78 1cwd h ARG 74 CO -0.00 0.60 -0.66 -1.50 -1.07 0.00 0.00 179.97 177.33 1cwd s ILE 75 N -5.90 -0.06 0.29 2.04 1.10 -0.04 -5.16 121.20 113.46 1cwd s ILE 75 Ca -0.11 0.21 0.11 0.00 -0.51 0.00 0.00 60.65 60.34 1cwd s ILE 75 Cb 0.22 -0.17 -0.05 0.00 0.15 0.00 0.00 42.46 42.62 1cwd s ILE 75 CO 0.80 0.09 -0.12 0.42 -2.11 0.00 0.00 174.94 174.02 1cwd s THR 76 N 1.19 2.74 0.07 4.00 -4.23 -1.26 -4.46 115.64 113.68 1cwd s THR 76 Ca -0.08 -2.22 0.04 0.00 -1.18 0.00 0.00 61.69 58.24 1cwd s THR 76 Cb -0.12 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1cwd s THR 76 CO -0.05 -0.36 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.20 1cwd s PHE 77 N -2.47 1.02 -0.52 3.99 0.40 0.15 -4.99 117.98 115.57 1cwd s PHE 77 Ca 0.31 -0.51 0.26 0.00 -0.60 0.00 0.00 56.93 56.39 1cwd s PHE 77 Cb -0.04 -0.58 0.90 0.00 0.51 0.00 0.00 43.02 43.81 1cwd s PHE 77 CO 0.17 0.00 1.76 -1.00 0.70 0.00 0.00 175.22 176.85 1cwd h PRO 78 N 4.21 0.00 -2.31 0.24 0.13 -1.96 -0.70 132.00 131.61 1cwd h PRO 78 Ca -0.39 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.93 1cwd h PRO 78 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1cwd h PRO 78 CO 0.43 0.00 0.55 0.20 -0.23 0.00 0.00 178.00 178.95 1cwd s GLY 79 N -3.67 -0.14 0.30 1.56 0.00 -1.26 -4.52 107.32 99.59 1cwd s GLY 79 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1cwd s GLY 79 CO 0.51 0.80 1.86 1.41 0.00 0.00 0.00 173.10 177.68 1cwd h LEU 80 N 2.00 0.71 0.16 0.66 3.38 -1.97 -2.70 115.31 117.56 1cwd h LEU 80 Ca -0.26 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1cwd h LEU 80 Cb 1.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1cwd h LEU 80 CO 0.29 0.69 -0.15 0.45 0.09 0.00 0.00 178.44 179.81 1cwd h HIS 81 N 0.75 -0.39 -1.00 1.13 3.86 -2.00 -1.88 115.15 115.63 1cwd h HIS 81 Ca 0.17 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.45 1cwd h HIS 81 Cb 0.24 0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 1cwd h HIS 81 CO 0.01 -0.23 0.65 0.93 0.86 0.00 0.00 177.93 180.15 1cwd h GLU 82 N -0.33 1.14 -0.64 2.45 3.07 -1.96 -0.88 114.58 117.43 1cwd h GLU 82 Ca -0.00 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1cwd h GLU 82 Cb 0.31 -0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1cwd h GLU 82 CO -0.03 0.75 0.39 1.25 -1.40 0.00 0.00 179.01 179.97 1cwd h LEU 83 N 1.17 0.63 -0.54 1.33 6.46 -1.13 -2.31 115.31 120.92 1cwd h LEU 83 Ca 0.44 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 58.06 1cwd h LEU 83 Cb 0.18 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1cwd h LEU 83 CO -0.18 0.43 -0.34 0.58 -0.62 0.00 0.00 178.44 178.32 1cwd h VAL 84 N 0.76 1.28 -0.14 1.05 2.07 -0.69 -1.81 116.25 118.77 1cwd h VAL 84 Ca 0.26 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 1cwd h VAL 84 Cb 0.04 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1cwd h VAL 84 CO -0.11 0.50 -0.17 -0.09 0.02 0.00 0.00 177.57 177.71 1cwd h ARG 85 N 0.68 0.23 0.04 1.57 2.43 -1.10 -1.28 114.38 116.96 1cwd h ARG 85 Ca 0.07 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1cwd h ARG 85 Cb 0.89 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1cwd h ARG 85 CO 0.08 0.41 -0.02 1.25 -1.51 0.00 0.00 179.97 180.18 1cwd h HIS 86 N 0.22 -0.05 0.00 2.20 2.76 -0.75 -3.09 115.15 116.43 1cwd h HIS 86 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1cwd h HIS 86 Cb 0.44 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1cwd h HIS 86 CO 0.01 0.59 0.00 1.88 -1.30 0.00 0.00 177.93 179.11 1cwd h TYR 87 N -0.86 0.00 -0.12 5.26 0.05 -1.49 0.76 116.97 120.57 1cwd h TYR 87 Ca -0.01 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 1cwd h TYR 87 Cb 0.67 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 1cwd h TYR 87 CO 0.16 0.00 -0.54 1.15 -1.05 0.00 0.00 178.16 177.88 1cwd h THR 88 N 0.00 1.35 0.01 -2.88 2.02 -1.31 -2.61 112.91 109.49 1cwd h THR 88 Ca 0.00 -1.83 -0.30 0.00 0.77 0.00 0.00 66.41 65.05 1cwd h THR 88 Cb 0.53 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.75 1cwd h THR 88 CO 0.00 0.55 -1.78 0.59 0.37 0.00 0.00 175.52 175.25 1cwd n ASN 89 N -3.93 0.97 -3.86 4.18 3.02 -0.33 -4.52 115.26 110.79 1cwd n ASN 89 Ca -0.02 0.37 -0.12 0.00 -0.03 0.00 0.00 54.58 54.78 1cwd n ASN 89 Cb 0.58 -0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.53 1cwd n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwd s ALA 90 N -2.59 -0.16 0.30 5.41 0.00 0.11 -5.03 121.76 119.81 1cwd s ALA 90 Ca -0.07 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1cwd s ALA 90 Cb 0.08 -0.07 0.46 0.00 0.00 0.00 0.00 23.12 23.58 1cwd s ALA 90 CO 0.82 -0.06 1.70 0.66 0.00 0.00 0.00 175.76 178.88 1cwd h SER 91 N 5.78 0.25 -6.86 0.00 4.64 -1.85 -3.34 113.55 112.17 1cwd h SER 91 Ca -0.26 -0.10 -0.28 0.00 -0.47 0.00 0.00 61.79 60.68 1cwd h SER 91 Cb 1.20 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1cwd h SER 91 CO 0.46 0.64 -0.51 -0.67 -0.87 0.00 0.00 176.83 175.87 1cwd n ASP 92 N -4.03 -2.08 0.00 4.97 2.03 -1.26 0.65 116.55 116.84 1cwd n ASP 92 Ca -0.01 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.70 1cwd n ASP 92 Cb 0.48 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1cwd n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cwd n GLY 93 N -1.39 2.61 3.72 0.27 0.00 -1.26 -5.06 105.19 104.08 1cwd n GLY 93 Ca -0.08 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1cwd n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cwd s LEU 94 N 0.00 1.77 0.46 0.99 1.02 0.21 -4.95 118.68 118.18 1cwd s LEU 94 Ca 0.00 1.13 0.25 0.00 0.02 0.00 0.00 54.13 55.53 1cwd s LEU 94 Cb 0.00 -3.37 1.03 0.00 0.02 0.00 0.00 46.19 43.87 1cwd s LEU 94 CO 0.00 -2.91 1.87 0.00 0.02 0.00 0.00 176.35 175.34 1cwd s THR 96 N -3.74 0.00 0.88 0.00 -1.32 -1.26 -5.04 115.64 105.16 1cwd s THR 96 Ca -0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1cwd s THR 96 Cb 0.11 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.22 1cwd s THR 96 CO 0.62 0.00 1.13 -0.13 -2.21 0.00 0.00 174.62 174.03 1cwd s ARG 97 N -1.75 1.36 0.36 7.08 0.52 -1.26 -4.81 118.95 120.44 1cwd s ARG 97 Ca 0.05 1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 56.65 1cwd s ARG 97 Cb -0.01 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1cwd s ARG 97 CO -0.04 -2.36 0.63 -0.51 0.02 0.00 0.00 175.30 173.04 1cwd s LEU 98 N -6.41 3.92 -0.04 2.53 1.43 -0.98 -4.26 118.68 114.87 1cwd s LEU 98 Ca 0.65 0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1cwd s LEU 98 Cb -0.21 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.43 1cwd s LEU 98 CO 0.57 -0.33 0.03 -0.94 0.23 0.00 0.00 176.35 175.91 1cwd s SER 99 N -3.60 0.72 0.00 2.29 1.04 0.67 -4.62 113.70 110.21 1cwd s SER 99 Ca 0.44 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1cwd s SER 99 Cb -0.10 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1cwd s SER 99 CO 0.35 -0.17 0.00 -2.11 0.98 0.00 0.00 173.24 172.29