#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k04 s PRO 2 N 0.00 0.81 -0.20 1.97 0.04 -1.26 -5.06 135.00 131.29 2k04 s PRO 2 Ca 0.00 -0.32 -0.08 0.00 0.04 0.00 0.00 61.00 60.64 2k04 s PRO 2 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2k04 s PRO 2 CO 0.00 -2.32 0.09 0.14 0.04 0.00 0.00 177.00 174.95 2k04 s VAL 3 N -3.82 4.90 0.05 -0.36 -7.23 -1.26 -5.08 120.40 107.60 2k04 s VAL 3 Ca 0.72 0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 60.75 2k04 s VAL 3 Cb -0.05 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2k04 s VAL 3 CO 0.52 0.42 0.35 -0.44 -0.31 0.00 0.00 175.10 175.64 2k04 s SER 4 N 0.68 -0.19 -0.48 4.85 0.01 -1.26 -5.07 113.70 112.24 2k04 s SER 4 Ca 0.05 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.19 2k04 s SER 4 Cb -0.13 0.39 0.14 0.00 0.21 0.00 0.00 66.02 66.63 2k04 s SER 4 CO 0.02 -0.66 0.27 -0.22 0.41 0.00 0.00 173.24 173.05 2k04 s LEU 5 N -2.14 3.20 0.09 2.44 0.20 -1.26 -5.11 118.68 116.10 2k04 s LEU 5 Ca -0.04 -2.83 0.01 0.00 0.69 0.00 0.00 54.13 51.96 2k04 s LEU 5 Cb -0.00 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 44.51 2k04 s LEU 5 CO -0.04 -0.24 0.21 -0.94 -0.29 0.00 0.00 176.35 175.05 2k04 s SER 6 N 0.05 6.19 -0.02 3.68 1.04 -1.26 -4.97 113.70 118.41 2k04 s SER 6 Ca 0.19 0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.86 2k04 s SER 6 Cb -0.22 -1.85 0.15 0.00 0.10 0.00 0.00 66.02 64.20 2k04 s SER 6 CO -0.02 0.13 1.12 -1.22 0.98 0.00 0.00 173.24 174.23 2k04 n TYR 7 N 0.05 0.21 -2.93 5.02 4.02 -1.26 -4.40 117.16 117.87 2k04 n TYR 7 Ca -0.06 -0.56 -0.40 0.00 -0.01 0.00 0.00 57.90 56.87 2k04 n TYR 7 Cb 0.52 -0.06 -0.05 0.00 -0.02 0.00 0.00 39.34 39.72 2k04 n TYR 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2k04 s ARG 8 N -1.24 4.57 -0.14 -0.72 0.52 -1.26 -4.81 118.95 115.87 2k04 s ARG 8 Ca 0.12 1.18 -0.12 0.00 -0.52 0.00 0.00 55.73 56.39 2k04 s ARG 8 Cb 0.08 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 2k04 s ARG 8 CO 0.06 0.41 0.25 0.00 0.02 0.00 0.00 175.30 176.04 2k04 h PRO 10 N 6.14 0.10 -4.17 0.00 0.13 -1.98 -3.37 132.00 128.85 2k04 h PRO 10 Ca -0.45 -0.07 -0.76 0.00 -0.87 0.00 0.00 66.00 63.86 2k04 h PRO 10 Cb 1.18 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 2k04 h PRO 10 CO 0.71 0.64 0.05 0.00 -0.23 0.00 0.00 178.00 179.17 2k04 h ARG 12 N 8.50 0.39 -6.50 0.00 1.12 -2.03 -3.45 114.38 112.41 2k04 h ARG 12 Ca -0.10 -0.66 -0.63 0.00 -1.11 0.00 0.00 59.98 57.48 2k04 h ARG 12 Cb 1.07 0.25 -0.23 0.00 -0.01 0.00 0.00 29.97 31.04 2k04 h ARG 12 CO 0.94 1.32 -0.85 -0.06 -3.11 0.00 0.00 179.97 178.21 2k04 s PHE 13 N -2.50 2.05 0.05 2.20 0.08 -1.26 -5.14 117.98 113.46 2k04 s PHE 13 Ca -0.13 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2k04 s PHE 13 Cb 0.03 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 2k04 s PHE 13 CO 0.87 0.23 -0.10 -0.59 -0.10 0.00 0.00 175.22 175.53 2k04 s PHE 14 N -1.03 0.86 -0.49 0.36 -0.12 -1.26 -4.74 117.98 111.56 2k04 s PHE 14 Ca 0.10 -0.50 -0.23 0.00 -0.05 0.00 0.00 56.93 56.26 2k04 s PHE 14 Cb -0.10 -0.50 0.03 0.00 -0.63 0.00 0.00 43.02 41.83 2k04 s PHE 14 CO 0.04 -0.04 0.80 -1.21 -0.05 0.00 0.00 175.22 174.76 2k04 s GLU 15 N -1.70 3.34 0.20 1.99 8.01 0.25 -4.89 118.70 125.90 2k04 s GLU 15 Ca -0.07 -0.28 0.08 0.00 0.01 0.00 0.00 54.97 54.72 2k04 s GLU 15 Cb -0.10 -3.99 -0.04 0.00 -4.31 0.00 0.00 34.13 25.69 2k04 s GLU 15 CO 0.01 -1.23 -0.02 0.45 0.01 0.00 0.00 175.26 174.48 2k04 s SER 16 N 2.40 4.62 -1.57 -0.19 0.15 -1.26 -3.61 113.70 114.24 2k04 s SER 16 Ca 0.27 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2k04 s SER 16 Cb -0.13 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2k04 s SER 16 CO 0.20 0.06 0.00 1.41 1.20 0.00 0.00 173.24 176.11 2k04 n HIS 17 N -0.34 0.00 -1.95 3.44 8.25 -1.26 -4.96 115.22 118.40 2k04 n HIS 17 Ca -0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.01 2k04 n HIS 17 Cb 0.56 -2.63 0.04 0.00 1.12 0.00 0.00 29.99 29.08 2k04 n HIS 17 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k04 s VAL 18 N -2.53 2.48 -0.31 1.59 0.11 -1.26 -4.91 120.40 115.57 2k04 s VAL 18 Ca 0.00 0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 2k04 s VAL 18 Cb 0.00 -3.13 0.01 0.00 -1.53 0.00 0.00 36.38 31.73 2k04 s VAL 18 CO 0.00 -0.06 1.14 0.00 -3.33 0.00 0.00 175.10 172.85 2k04 s ALA 19 N -1.52 3.48 0.20 1.54 0.00 -1.26 -4.86 121.76 119.33 2k04 s ALA 19 Ca 0.78 0.01 0.30 0.00 0.00 0.00 0.00 51.96 53.05 2k04 s ALA 19 Cb -0.33 -3.70 1.31 0.00 0.00 0.00 0.00 23.12 20.41 2k04 s ALA 19 CO 0.36 -1.54 1.98 -0.09 0.00 0.00 0.00 175.76 176.46 2k04 h ARG 20 N 8.38 0.00 0.00 0.00 1.12 -1.96 -0.45 114.38 121.47 2k04 h ARG 20 Ca -0.22 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2k04 h ARG 20 Cb 1.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 2k04 h ARG 20 CO 1.03 0.09 -0.19 0.00 -3.11 0.00 0.00 179.97 177.79 2k04 n ALA 21 N -2.16 2.76 1.00 2.80 0.00 -1.26 -3.94 120.51 119.71 2k04 n ALA 21 Ca -0.00 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2k04 n ALA 21 Cb 0.32 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.48 2k04 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k04 n ASN 22 N -1.55 2.61 -4.80 0.00 5.15 -0.18 -4.94 115.26 111.55 2k04 n ASN 22 Ca 0.06 -1.80 -0.32 0.00 -0.60 0.00 0.00 54.58 51.91 2k04 n ASN 22 Cb 0.34 0.19 -0.07 0.00 -0.53 0.00 0.00 39.78 39.72 2k04 n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2k04 s VAL 23 N -2.19 4.80 -0.11 3.44 0.11 -1.20 0.06 120.40 125.30 2k04 s VAL 23 Ca 0.24 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 2k04 s VAL 23 Cb 0.19 -3.23 -0.24 0.00 -1.53 0.00 0.00 36.38 31.58 2k04 s VAL 23 CO 0.41 0.30 0.39 0.29 -3.33 0.00 0.00 175.10 173.16 2k04 n LYS 24 N 0.99 0.68 -3.64 1.54 5.02 0.44 -4.69 118.16 118.51 2k04 n LYS 24 Ca -0.12 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2k04 n LYS 24 Cb 0.52 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2k04 n LYS 24 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2k04 s HIS 25 N -2.56 -0.07 0.20 2.13 -3.43 -1.25 -5.03 115.29 105.28 2k04 s HIS 25 Ca -0.14 -0.06 0.09 0.00 -0.80 0.00 0.00 55.06 54.15 2k04 s HIS 25 Cb 0.07 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2k04 s HIS 25 CO 0.79 -0.35 -0.10 -0.51 -2.00 0.00 0.00 174.74 172.57 2k04 s LEU 26 N -2.90 2.94 -0.13 5.38 1.43 -1.26 -1.99 118.68 122.15 2k04 s LEU 26 Ca 0.13 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2k04 s LEU 26 Cb 0.03 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2k04 s LEU 26 CO -0.03 0.08 -0.07 -0.75 0.23 0.00 0.00 176.35 175.81 2k04 s LYS 27 N -3.01 1.51 -0.23 1.70 2.20 0.18 -4.95 119.74 117.13 2k04 s LYS 27 Ca 0.26 -0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.43 2k04 s LYS 27 Cb -0.08 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 2k04 s LYS 27 CO 0.16 -0.33 0.10 0.42 -0.36 0.00 0.00 175.35 175.34 2k04 s ILE 28 N 1.68 4.75 0.05 5.43 1.01 -1.26 -0.20 121.20 132.66 2k04 s ILE 28 Ca 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2k04 s ILE 28 Cb -0.14 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 2k04 s ILE 28 CO -0.08 0.36 -0.09 -1.48 0.00 0.00 0.00 174.94 173.65 2k04 s LEU 29 N 1.18 2.28 -0.26 2.97 0.05 0.73 -4.98 118.68 120.64 2k04 s LEU 29 Ca 0.05 -0.60 0.02 0.00 0.05 0.00 0.00 54.13 53.65 2k04 s LEU 29 Cb -0.14 -0.21 0.07 0.00 -2.05 0.00 0.00 46.19 43.86 2k04 s LEU 29 CO 0.04 -0.21 -0.05 0.21 -0.55 0.00 0.00 176.35 175.79 2k04 s ASN 30 N -1.74 4.24 -0.19 1.48 2.47 -1.26 -0.65 114.94 119.29 2k04 s ASN 30 Ca -0.07 -1.44 -0.12 0.00 0.42 0.00 0.00 52.86 51.65 2k04 s ASN 30 Cb -0.09 -1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 38.28 2k04 s ASN 30 CO 0.00 -0.25 0.22 0.42 -3.72 0.00 0.00 177.10 173.77 2k04 s THR 31 N 1.21 5.34 0.52 -5.21 -4.23 -1.26 -5.00 115.64 107.02 2k04 s THR 31 Ca -0.04 0.36 0.28 0.00 -1.18 0.00 0.00 61.69 61.11 2k04 s THR 31 Cb -0.19 -3.56 0.44 0.00 1.34 0.00 0.00 72.50 70.53 2k04 s THR 31 CO -0.07 0.38 1.92 -0.65 -0.54 0.00 0.00 174.62 175.67 2k04 h PRO 32 N 6.91 0.04 -0.02 3.99 0.11 -1.92 0.33 132.00 141.44 2k04 h PRO 32 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2k04 h PRO 32 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k04 h PRO 32 CO 0.74 0.03 -0.16 -1.71 -0.21 0.00 0.00 178.00 176.68 2k04 n ASN 33 N -4.33 1.75 -4.35 -2.05 5.15 -1.26 -4.92 115.26 105.26 2k04 n ASN 33 Ca 0.16 -1.42 -0.18 0.00 -0.60 0.00 0.00 54.58 52.53 2k04 n ASN 33 Cb 0.81 0.13 -0.10 0.00 -0.53 0.00 0.00 39.78 40.09 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k04 s ALA 35 N -3.05 0.27 -0.37 0.00 0.00 -1.26 -4.46 121.76 112.89 2k04 s ALA 35 Ca 0.23 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2k04 s ALA 35 Cb 0.01 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 2k04 s ALA 35 CO 0.07 -3.57 2.31 0.00 0.00 0.00 0.00 175.76 174.57 2k04 s GLN 37 N 7.14 4.23 -0.16 0.00 2.00 0.18 -4.60 119.66 128.44 2k04 s GLN 37 Ca 1.03 0.18 -0.00 0.00 -2.00 0.00 0.00 55.36 54.57 2k04 s GLN 37 Cb -0.41 -3.48 -0.00 0.00 0.80 0.00 0.00 33.01 29.92 2k04 s GLN 37 CO 0.35 0.09 -0.15 0.42 -0.50 0.00 0.00 175.29 175.50 2k04 s ILE 38 N 0.91 2.67 0.06 -2.34 1.01 -1.26 -0.20 121.20 122.05 2k04 s ILE 38 Ca 0.19 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2k04 s ILE 38 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2k04 s ILE 38 CO 0.07 0.51 -0.05 -0.69 0.00 0.00 0.00 174.94 174.77 2k04 s VAL 39 N 0.91 3.70 -0.03 2.92 1.01 0.72 -0.39 120.40 129.25 2k04 s VAL 39 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2k04 s VAL 39 Cb -0.15 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 2k04 s VAL 39 CO -0.02 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.20 2k04 s ALA 40 N -1.16 1.05 -0.31 5.51 0.00 0.96 0.47 121.76 128.29 2k04 s ALA 40 Ca 0.21 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 2k04 s ALA 40 Cb -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2k04 s ALA 40 CO 0.13 0.20 0.33 0.50 0.00 0.00 0.00 175.76 176.91 2k04 s ARG 41 N 0.06 3.74 0.58 0.00 6.06 -0.84 -0.46 118.95 128.07 2k04 s ARG 41 Ca -0.02 -0.30 -0.20 0.00 -2.50 0.00 0.00 55.73 52.70 2k04 s ARG 41 Cb -0.08 -3.74 -0.04 0.00 0.06 0.00 0.00 34.95 31.15 2k04 s ARG 41 CO 0.01 -0.40 1.33 -0.51 -2.50 0.00 0.00 175.30 173.22 2k04 s LEU 42 N 1.97 3.76 0.00 -0.88 1.43 -1.23 -0.42 118.68 123.31 2k04 s LEU 42 Ca 0.11 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 2k04 s LEU 42 Cb -0.16 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.66 2k04 s LEU 42 CO 0.11 -1.69 0.54 0.29 0.23 0.00 0.00 176.35 175.83 2k04 n LYS 43 N -1.31 0.00 -3.60 1.70 5.02 0.11 -4.61 118.16 115.48 2k04 n LYS 43 Ca 0.12 0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 56.24 2k04 n LYS 43 Cb 0.46 -1.06 -0.14 0.00 -0.02 0.00 0.00 35.03 34.27 2k04 n LYS 43 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k04 s ASN 44 N -1.93 3.54 0.00 4.39 3.84 -1.26 -4.93 114.94 118.59 2k04 s ASN 44 Ca 0.00 -1.80 0.00 0.00 0.21 0.00 0.00 52.86 51.27 2k04 s ASN 44 Cb 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 41.25 40.10 2k04 s ASN 44 CO 0.00 -0.38 0.00 -3.20 -2.79 0.00 0.00 177.10 170.73 2k04 n ASN 45 N 4.59 0.00 0.00 -4.21 2.85 -1.26 -5.08 115.26 112.15 2k04 n ASN 45 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2k04 n ASN 45 Cb 0.40 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.45 2k04 n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k04 n ASN 46 N -2.07 0.00 -3.14 1.20 2.85 -1.26 -5.17 115.26 107.67 2k04 n ASN 46 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 2k04 n ASN 46 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 2k04 n ASN 46 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2k04 n ARG 47 N 0.00 0.40 -3.98 1.20 0.00 -1.26 -5.11 116.66 107.91 2k04 n ARG 47 Ca 0.00 -3.13 -0.36 0.00 -0.00 0.00 0.00 57.85 54.36 2k04 n ARG 47 Cb 0.00 2.50 -0.07 0.00 -0.00 0.00 0.00 32.46 34.90 2k04 n ARG 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2k04 s GLN 48 N -3.28 3.34 0.22 2.89 0.74 -1.26 -3.47 119.66 118.84 2k04 s GLN 48 Ca 0.36 -0.21 0.11 0.00 0.05 0.00 0.00 55.36 55.67 2k04 s GLN 48 Cb 0.02 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 2k04 s GLN 48 CO 0.25 0.75 -0.15 0.14 -0.55 0.00 0.00 175.29 175.74 2k04 s VAL 49 N -1.03 2.80 -0.07 1.34 -7.23 0.39 -4.95 120.40 111.66 2k04 s VAL 49 Ca 0.16 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.28 2k04 s VAL 49 Cb -0.12 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2k04 s VAL 49 CO 0.05 -0.23 0.11 0.00 -0.31 0.00 0.00 175.10 174.72 2k04 s ILE 51 N -1.10 2.95 -0.15 0.00 -1.09 0.48 0.84 121.20 123.11 2k04 s ILE 51 Ca 0.19 -1.22 -0.29 0.00 -2.23 0.00 0.00 60.65 57.10 2k04 s ILE 51 Cb -0.12 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 2k04 s ILE 51 CO 0.09 0.27 1.44 -0.62 -1.23 0.00 0.00 174.94 174.88 2k04 s ASP 52 N -1.67 6.75 0.00 3.58 2.15 -1.24 -4.09 116.67 122.15 2k04 s ASP 52 Ca 0.16 1.80 0.16 0.00 0.43 0.00 0.00 52.55 55.10 2k04 s ASP 52 Cb -0.11 -2.54 0.94 0.00 -0.30 0.00 0.00 42.92 40.92 2k04 s ASP 52 CO 0.07 -0.92 1.37 -0.81 -0.17 0.00 0.00 175.17 174.72 2k04 n PRO 53 N 6.99 0.48 -0.24 4.34 -0.04 -1.26 -1.85 135.00 143.42 2k04 n PRO 53 Ca 0.16 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2k04 n PRO 53 Cb 0.44 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 2k04 n PRO 53 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k04 n LYS 54 N -1.02 2.88 -1.76 0.54 5.02 -1.26 -4.61 118.16 117.95 2k04 n LYS 54 Ca 0.12 -2.22 -0.39 0.00 -2.02 0.00 0.00 58.31 53.80 2k04 n LYS 54 Cb 0.06 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2k04 n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k04 s LEU 55 N -1.12 3.92 0.15 -0.35 1.43 -0.77 -4.84 118.68 117.11 2k04 s LEU 55 Ca 0.29 2.84 -0.14 0.00 -1.03 0.00 0.00 54.13 56.09 2k04 s LEU 55 Cb 0.16 -4.17 0.03 0.00 0.03 0.00 0.00 46.19 42.24 2k04 s LEU 55 CO 0.18 -1.48 1.72 0.50 0.23 0.00 0.00 176.35 177.50 2k04 h LYS 56 N 1.69 0.72 0.00 1.70 3.11 -1.94 0.58 116.57 122.44 2k04 h LYS 56 Ca -0.51 -0.12 -0.07 0.00 -2.81 0.00 0.00 60.65 57.15 2k04 h LYS 56 Cb 1.29 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.39 2k04 h LYS 56 CO 0.58 0.62 -0.31 0.11 -2.81 0.00 0.00 179.45 177.64 2k04 h TRP 57 N 0.65 0.00 -0.12 1.91 5.08 -1.98 -1.20 115.95 120.29 2k04 h TRP 57 Ca 0.17 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.11 2k04 h TRP 57 Cb 0.15 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.31 2k04 h TRP 57 CO -0.00 0.31 -0.02 0.82 -1.28 0.00 0.00 178.44 178.27 2k04 h ILE 58 N 0.00 1.28 -0.16 0.12 1.08 -1.65 -0.16 117.51 118.02 2k04 h ILE 58 Ca -0.00 -0.94 0.04 0.00 -0.39 0.00 0.00 64.86 63.57 2k04 h ILE 58 Cb 0.65 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 2k04 h ILE 58 CO 0.04 0.27 -0.08 1.56 -0.69 0.00 0.00 178.15 179.25 2k04 h GLN 59 N -0.09 -0.06 -0.68 2.37 1.08 -0.49 0.66 115.11 117.90 2k04 h GLN 59 Ca 0.03 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2k04 h GLN 59 Cb 0.43 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 2k04 h GLN 59 CO 0.01 -0.04 0.42 0.93 -0.95 0.00 0.00 178.83 179.20 2k04 h GLU 60 N -0.06 0.80 -0.50 1.46 4.39 -1.24 0.52 114.58 119.95 2k04 h GLU 60 Ca 0.09 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 2k04 h GLU 60 Cb 0.19 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2k04 h GLU 60 CO -0.20 0.53 0.18 -0.92 -1.16 0.00 0.00 179.01 177.43 2k04 h TYR 61 N 0.82 0.79 0.11 4.33 3.20 -0.26 0.41 116.97 126.37 2k04 h TYR 61 Ca 0.27 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2k04 h TYR 61 Cb 0.02 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2k04 h TYR 61 CO -0.05 0.68 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.03 2k04 h LEU 62 N 0.68 -0.12 -0.75 2.82 3.38 -0.50 -1.92 115.31 118.90 2k04 h LEU 62 Ca 0.16 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2k04 h LEU 62 Cb 0.24 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2k04 h LEU 62 CO -0.01 -0.07 -0.03 -0.33 0.09 0.00 0.00 178.44 178.10 2k04 h GLU 63 N -0.16 0.93 0.00 1.13 5.08 -0.54 -2.97 114.58 118.05 2k04 h GLU 63 Ca -0.01 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2k04 h GLU 63 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k04 h GLU 63 CO 0.02 0.93 -0.16 0.87 -1.00 0.00 0.00 179.01 179.68 2k04 h LYS 64 N 0.85 0.00 -0.72 2.33 1.79 -0.16 -3.22 116.57 117.44 2k04 h LYS 64 Ca 0.15 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.65 2k04 h LYS 64 Cb 0.54 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 2k04 h LYS 64 CO 0.03 0.00 0.47 0.00 -1.08 0.00 0.00 179.45 178.87 2k04 h LEU 66 N 0.89 0.00 0.00 0.00 -0.00 -1.68 -3.34 115.31 111.18 2k04 h LEU 66 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2k04 h LEU 66 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2k04 h LEU 66 CO -0.07 0.11 -0.64 0.59 -0.00 0.00 0.00 178.44 178.42 2k04 n ASN 67 N -3.80 1.44 -0.31 -0.43 5.03 -0.04 -5.19 115.26 111.95 2k04 n ASN 67 Ca -0.02 0.34 0.15 0.00 0.87 0.00 0.00 54.58 55.92 2k04 n ASN 67 Cb 0.21 -0.71 0.68 0.00 -1.02 0.00 0.00 39.78 38.93 2k04 n ASN 67 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72