#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 3.51 -0.41 1.97 0.04 -1.26 -4.88 135.00 133.97 2k04 s PRO 2 Ca 0.00 -1.07 0.03 0.00 0.04 0.00 0.00 61.00 60.00 2k04 s PRO 2 Cb 0.00 -5.05 0.16 0.00 0.04 0.00 0.00 34.50 29.65 2k04 s PRO 2 CO 0.00 -2.11 0.31 0.54 0.04 0.00 0.00 177.00 175.78 2k04 s VAL 3 N 4.68 0.37 0.22 -0.36 0.11 -1.26 -5.09 120.40 119.07 2k04 s VAL 3 Ca 0.41 -2.48 -0.04 0.00 -2.93 0.00 0.00 61.98 56.94 2k04 s VAL 3 Cb -0.03 -1.28 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 2k04 s VAL 3 CO -0.05 -1.17 0.35 -1.20 -3.33 0.00 0.00 175.10 169.70 2k04 n SER 4 N 3.10 -1.00 -4.39 3.54 7.64 -1.26 -5.12 113.62 116.13 2k04 n SER 4 Ca 0.25 -2.04 -0.44 0.00 1.01 0.00 0.00 58.87 57.65 2k04 n SER 4 Cb 0.45 1.77 -0.08 0.00 -1.01 0.00 0.00 64.21 65.34 2k04 n SER 4 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2k04 s LEU 5 N 0.00 5.58 0.69 -3.43 2.34 -1.26 -5.06 118.68 117.54 2k04 s LEU 5 Ca 0.14 -1.29 -0.08 0.00 0.06 0.00 0.00 54.13 52.96 2k04 s LEU 5 Cb -0.01 -2.19 0.04 0.00 -0.56 0.00 0.00 46.19 43.47 2k04 s LEU 5 CO 0.10 -0.64 1.01 -0.94 -1.06 0.00 0.00 176.35 174.82 2k04 s SER 6 N 2.55 5.08 -0.85 1.48 1.04 -1.26 -4.97 113.70 116.76 2k04 s SER 6 Ca 0.04 0.66 -0.24 0.00 0.48 0.00 0.00 55.95 56.89 2k04 s SER 6 Cb -0.24 -1.40 0.05 0.00 0.10 0.00 0.00 66.02 64.53 2k04 s SER 6 CO 0.07 -1.45 1.30 -0.31 0.98 0.00 0.00 173.24 173.82 2k04 s TYR 7 N -3.23 2.49 -0.04 5.02 2.02 -1.26 -4.93 117.35 117.42 2k04 s TYR 7 Ca 0.58 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.77 2k04 s TYR 7 Cb -0.11 -4.59 0.03 0.00 -0.40 0.00 0.00 41.96 36.89 2k04 s TYR 7 CO 0.46 -1.93 0.00 -0.98 -1.57 0.00 0.00 175.55 171.54 2k04 s ARG 8 N 5.02 0.34 -0.03 -0.62 3.03 -1.26 -5.12 118.95 120.31 2k04 s ARG 8 Ca 0.37 0.10 -0.10 0.00 2.03 0.00 0.00 55.73 58.14 2k04 s ARG 8 Cb -0.06 -0.59 -0.05 0.00 -1.03 0.00 0.00 34.95 33.23 2k04 s ARG 8 CO 0.03 -0.18 0.29 0.00 -1.13 0.00 0.00 175.30 174.31 2k04 h PRO 10 N 4.55 0.10 -3.61 0.00 0.13 -1.99 -2.84 132.00 128.34 2k04 h PRO 10 Ca -0.52 -0.05 -0.79 0.00 -0.87 0.00 0.00 66.00 63.76 2k04 h PRO 10 Cb 1.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 2k04 h PRO 10 CO 0.62 0.56 0.72 0.00 -0.23 0.00 0.00 178.00 179.67 2k04 h ARG 12 N 6.45 0.62 -4.21 0.00 2.43 -1.92 -3.42 114.38 114.34 2k04 h ARG 12 Ca 0.21 -0.75 -0.44 0.00 -0.81 0.00 0.00 59.98 58.19 2k04 h ARG 12 Cb 0.81 0.23 -0.34 0.00 -0.42 0.00 0.00 29.97 30.26 2k04 h ARG 12 CO 1.14 1.33 -0.79 -0.59 -1.51 0.00 0.00 179.97 179.55 2k04 s PHE 13 N -3.14 0.96 -0.14 2.20 -0.71 -1.26 -5.09 117.98 110.79 2k04 s PHE 13 Ca -0.09 -0.30 -0.04 0.00 -1.04 0.00 0.00 56.93 55.46 2k04 s PHE 13 Cb 0.06 -0.78 -0.03 0.00 -1.21 0.00 0.00 43.02 41.07 2k04 s PHE 13 CO 0.92 -0.21 0.01 -0.59 -1.34 0.00 0.00 175.22 174.01 2k04 s PHE 14 N 0.78 3.14 -0.50 3.49 -0.71 -1.26 -4.67 117.98 118.25 2k04 s PHE 14 Ca -0.12 -0.02 -0.24 0.00 -1.04 0.00 0.00 56.93 55.51 2k04 s PHE 14 Cb -0.15 -1.94 0.03 0.00 -1.21 0.00 0.00 43.02 39.76 2k04 s PHE 14 CO 0.01 0.19 0.88 -1.21 -1.34 0.00 0.00 175.22 173.75 2k04 s GLU 15 N -0.04 3.39 0.00 1.99 0.41 0.17 -4.88 118.70 119.75 2k04 s GLU 15 Ca 0.04 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 2k04 s GLU 15 Cb -0.13 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.24 2k04 s GLU 15 CO 0.02 -1.29 0.00 0.43 -0.49 0.00 0.00 175.26 173.92 2k04 n SER 16 N 7.10 0.00 -4.58 -0.19 7.64 -1.26 -2.78 113.62 119.55 2k04 n SER 16 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 2k04 n SER 16 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2k04 n SER 16 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k04 s HIS 17 N 0.00 2.08 0.12 1.43 3.76 -1.26 -4.65 115.29 116.76 2k04 s HIS 17 Ca 0.00 0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2k04 s HIS 17 Cb 0.00 -4.12 -0.04 0.00 1.11 0.00 0.00 32.58 29.54 2k04 s HIS 17 CO 0.00 -1.30 0.21 0.08 -0.85 0.00 0.00 174.74 172.88 2k04 s VAL 18 N 9.99 5.08 -0.11 -0.90 1.01 -1.26 -5.06 120.40 129.15 2k04 s VAL 18 Ca 0.66 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2k04 s VAL 18 Cb -0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2k04 s VAL 18 CO 0.12 0.01 1.13 0.00 0.00 0.00 0.00 175.10 176.35 2k04 s ALA 19 N -1.62 3.51 0.23 5.51 0.00 -1.26 -4.86 121.76 123.26 2k04 s ALA 19 Ca 0.33 0.47 0.31 0.00 0.00 0.00 0.00 51.96 53.07 2k04 s ALA 19 Cb -0.12 -3.51 1.36 0.00 0.00 0.00 0.00 23.12 20.86 2k04 s ALA 19 CO 0.27 -0.79 1.99 -0.09 0.00 0.00 0.00 175.76 177.14 2k04 h ARG 20 N 7.43 0.00 0.00 0.00 1.12 -1.97 -0.05 114.38 120.91 2k04 h ARG 20 Ca -0.30 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 2k04 h ARG 20 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2k04 h ARG 20 CO 0.89 0.09 -0.19 0.00 -3.11 0.00 0.00 179.97 177.65 2k04 n ALA 21 N -2.16 2.74 0.04 2.80 0.00 -1.26 -3.99 120.51 118.67 2k04 n ALA 21 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.30 2k04 n ALA 21 Cb 0.31 -1.34 0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.59 2.43 -4.72 0.00 5.15 -0.05 -4.95 115.26 111.53 2k04 n ASN 22 Ca 0.06 -1.79 -0.31 0.00 -0.60 0.00 0.00 54.58 51.95 2k04 n ASN 22 Cb 0.35 -0.13 -0.08 0.00 -0.53 0.00 0.00 39.78 39.40 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 -0.92 4.24 -0.17 3.44 0.11 -1.13 0.37 120.40 126.34 2k04 s VAL 23 Ca 0.16 -0.81 0.13 0.00 -2.93 0.00 0.00 61.98 58.53 2k04 s VAL 23 Cb 0.09 -3.00 -0.23 0.00 -1.53 0.00 0.00 36.38 31.71 2k04 s VAL 23 CO 0.13 0.18 0.16 0.29 -3.33 0.00 0.00 175.10 172.53 2k04 n LYS 24 N 0.73 0.68 -3.66 1.54 5.02 -0.03 -4.67 118.16 117.76 2k04 n LYS 24 Ca -0.11 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2k04 n LYS 24 Cb 0.52 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.52 -0.04 0.05 2.13 -3.43 -1.26 -5.04 115.29 105.18 2k04 s HIS 25 Ca -0.13 -0.09 0.08 0.00 -0.80 0.00 0.00 55.06 54.12 2k04 s HIS 25 Cb 0.07 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 2k04 s HIS 25 CO 0.79 -0.35 -0.19 -0.51 -2.00 0.00 0.00 174.74 172.49 2k04 s LEU 26 N -3.04 2.57 -0.23 5.38 1.43 -1.26 -3.23 118.68 120.30 2k04 s LEU 26 Ca 0.15 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2k04 s LEU 26 Cb 0.04 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.78 2k04 s LEU 26 CO -0.03 0.24 -0.06 -0.75 0.23 0.00 0.00 176.35 175.98 2k04 s LYS 27 N -1.54 3.09 -0.26 1.70 2.47 0.11 -4.93 119.74 120.39 2k04 s LYS 27 Ca 0.15 -0.80 -0.05 0.00 -1.56 0.00 0.00 55.97 53.70 2k04 s LYS 27 Cb -0.10 -2.96 0.00 0.00 -1.46 0.00 0.00 37.83 33.31 2k04 s LYS 27 CO 0.06 -0.29 0.01 0.42 0.16 0.00 0.00 175.35 175.71 2k04 s ILE 28 N 1.39 3.59 0.00 5.43 1.01 -1.26 -0.00 121.20 131.36 2k04 s ILE 28 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2k04 s ILE 28 Cb -0.15 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 2k04 s ILE 28 CO -0.05 0.23 -0.08 -1.48 0.00 0.00 0.00 174.94 173.56 2k04 s LEU 29 N 1.47 2.04 -0.21 2.97 0.05 -0.18 -5.02 118.68 119.81 2k04 s LEU 29 Ca 0.03 -0.19 0.01 0.00 0.05 0.00 0.00 54.13 54.04 2k04 s LEU 29 Cb -0.16 -0.39 0.04 0.00 -2.05 0.00 0.00 46.19 43.64 2k04 s LEU 29 CO -0.01 0.07 -0.11 0.21 -0.55 0.00 0.00 176.35 175.96 2k04 s ASN 30 N -0.35 3.57 -0.13 1.48 3.84 -1.26 -1.87 114.94 120.22 2k04 s ASN 30 Ca 0.02 -0.97 -0.00 0.00 0.21 0.00 0.00 52.86 52.12 2k04 s ASN 30 Cb -0.04 -1.31 -0.01 0.00 -0.55 0.00 0.00 41.25 39.34 2k04 s ASN 30 CO -0.00 -0.14 -0.13 0.28 -2.79 0.00 0.00 177.10 174.31 2k04 s THR 31 N 1.33 3.00 0.15 -5.21 -1.32 -1.26 -5.02 115.64 107.31 2k04 s THR 31 Ca -0.02 -0.68 0.26 0.00 -1.21 0.00 0.00 61.69 60.05 2k04 s THR 31 Cb -0.17 -2.26 0.26 0.00 -1.51 0.00 0.00 72.50 68.83 2k04 s THR 31 CO -0.08 0.52 1.79 -0.65 -2.21 0.00 0.00 174.62 173.99 2k04 h PRO 32 N 6.81 0.00 -0.29 7.08 0.11 -1.98 -0.00 132.00 143.73 2k04 h PRO 32 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2k04 h PRO 32 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k04 h PRO 32 CO 0.56 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.64 2k04 n ASN 33 N -2.48 2.52 -4.11 -2.05 5.15 -1.26 -4.87 115.26 108.16 2k04 n ASN 33 Ca -0.02 -1.87 -0.08 0.00 -0.60 0.00 0.00 54.58 52.02 2k04 n ASN 33 Cb 0.14 -0.19 -0.10 0.00 -0.53 0.00 0.00 39.78 39.10 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k04 n ALA 35 N 0.03 -0.51 -1.69 0.00 0.00 -1.26 -4.59 120.51 112.49 2k04 n ALA 35 Ca -0.11 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 2k04 n ALA 35 Cb 0.62 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 2k04 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k04 s GLN 37 N 3.38 3.66 -0.13 0.00 -1.52 -0.78 -4.50 119.66 119.77 2k04 s GLN 37 Ca 0.84 -0.46 0.01 0.00 -1.95 0.00 0.00 55.36 53.80 2k04 s GLN 37 Cb -0.45 -2.97 0.02 0.00 -0.22 0.00 0.00 33.01 29.39 2k04 s GLN 37 CO 0.38 0.31 -0.16 0.42 -0.25 0.00 0.00 175.29 175.99 2k04 s ILE 38 N 0.20 1.64 -0.18 1.08 1.01 -1.23 -1.01 121.20 122.72 2k04 s ILE 38 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 2k04 s ILE 38 Cb -0.13 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2k04 s ILE 38 CO 0.02 0.47 -0.04 -0.69 0.00 0.00 0.00 174.94 174.70 2k04 s VAL 39 N 1.11 3.66 -0.07 2.92 1.01 1.00 0.95 120.40 130.97 2k04 s VAL 39 Ca -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2k04 s VAL 39 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2k04 s VAL 39 CO -0.05 0.47 -0.20 0.00 0.00 0.00 0.00 175.10 175.32 2k04 s ALA 40 N 0.77 2.36 -0.23 5.51 0.00 0.16 0.10 121.76 130.43 2k04 s ALA 40 Ca -0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 2k04 s ALA 40 Cb -0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2k04 s ALA 40 CO 0.02 0.41 0.29 1.03 0.00 0.00 0.00 175.76 177.50 2k04 s ARG 41 N -0.15 4.10 0.49 0.00 0.52 -1.20 -0.36 118.95 122.36 2k04 s ARG 41 Ca -0.03 -0.03 -0.23 0.00 -0.52 0.00 0.00 55.73 54.92 2k04 s ARG 41 Cb -0.14 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.71 2k04 s ARG 41 CO 0.04 -0.04 1.27 -0.51 0.02 0.00 0.00 175.30 176.08 2k04 s LEU 42 N 1.34 3.96 0.21 2.53 1.43 -1.25 -0.85 118.68 126.05 2k04 s LEU 42 Ca 0.13 2.56 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 2k04 s LEU 42 Cb -0.14 -4.22 0.15 0.00 0.03 0.00 0.00 46.19 42.00 2k04 s LEU 42 CO 0.07 -1.22 1.69 0.11 0.23 0.00 0.00 176.35 177.23 2k04 h LYS 43 N 1.83 1.03 -6.30 1.70 1.57 -0.35 -3.38 116.57 112.67 2k04 h LYS 43 Ca -0.50 -0.29 -0.56 0.00 -1.87 0.00 0.00 60.65 57.42 2k04 h LYS 43 Cb 1.27 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2k04 h LYS 43 CO 0.59 0.98 1.23 -0.80 -0.57 0.00 0.00 179.45 180.88 2k04 s ASN 44 N -6.56 5.93 -1.13 0.86 0.02 -1.26 -4.89 114.94 107.90 2k04 s ASN 44 Ca -0.11 1.02 -0.22 0.00 -1.02 0.00 0.00 52.86 52.53 2k04 s ASN 44 Cb 0.14 -2.53 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 2k04 s ASN 44 CO 0.84 -1.73 1.83 0.21 0.02 0.00 0.00 177.10 178.28 2k04 s ASN 45 N 5.77 5.66 0.10 -1.22 3.84 -1.26 -4.13 114.94 123.70 2k04 s ASN 45 Ca 0.73 -1.62 0.00 0.00 0.21 0.00 0.00 52.86 52.18 2k04 s ASN 45 Cb -0.19 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 2k04 s ASN 45 CO 0.31 -2.37 0.00 0.59 -2.79 0.00 0.00 177.10 172.85 2k04 n ASN 46 N 12.22 0.14 -3.64 -4.21 5.03 -1.26 -5.14 115.26 118.40 2k04 n ASN 46 Ca 0.43 0.16 -0.09 0.00 0.87 0.00 0.00 54.58 55.95 2k04 n ASN 46 Cb 0.47 0.06 -0.02 0.00 -1.02 0.00 0.00 39.78 39.27 2k04 n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k04 s ARG 47 N -2.00 1.48 0.23 3.52 1.04 -1.26 -5.15 118.95 116.81 2k04 s ARG 47 Ca 0.00 -0.70 0.04 0.00 -1.04 0.00 0.00 55.73 54.02 2k04 s ARG 47 Cb 0.00 0.58 -0.03 0.00 -2.04 0.00 0.00 34.95 33.45 2k04 s ARG 47 CO 0.00 -0.66 0.37 1.14 -0.04 0.00 0.00 175.30 176.10 2k04 s GLN 48 N -3.76 3.45 0.11 3.89 0.00 -1.26 -3.79 119.66 118.30 2k04 s GLN 48 Ca 0.06 -0.65 0.07 0.00 -0.00 0.00 0.00 55.36 54.84 2k04 s GLN 48 Cb -0.03 -2.88 -0.04 0.00 0.00 0.00 0.00 33.01 30.06 2k04 s GLN 48 CO -0.03 0.42 -0.17 0.14 0.00 0.00 0.00 175.29 175.65 2k04 s VAL 49 N -1.96 1.49 -0.20 3.63 -7.23 0.52 -4.97 120.40 111.68 2k04 s VAL 49 Ca 0.35 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 2k04 s VAL 49 Cb -0.10 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2k04 s VAL 49 CO 0.30 -0.25 0.07 0.00 -0.31 0.00 0.00 175.10 174.90 2k04 s ILE 51 N 0.62 4.36 -0.03 0.00 -1.09 0.27 0.45 121.20 125.79 2k04 s ILE 51 Ca 0.03 -0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 57.54 2k04 s ILE 51 Cb -0.13 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2k04 s ILE 51 CO 0.01 0.30 1.27 -0.62 -1.23 0.00 0.00 174.94 174.68 2k04 s ASP 52 N -1.82 6.98 0.00 3.58 -1.08 -1.12 -3.50 116.67 119.72 2k04 s ASP 52 Ca 0.23 1.93 0.27 0.00 -0.52 0.00 0.00 52.55 54.46 2k04 s ASP 52 Cb -0.12 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.26 2k04 s ASP 52 CO 0.14 -0.63 1.93 -0.81 0.52 0.00 0.00 175.17 176.32 2k04 n PRO 53 N 5.19 0.63 -0.23 4.34 -0.04 -1.26 -3.06 135.00 140.56 2k04 n PRO 53 Ca 0.12 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 2k04 n PRO 53 Cb 0.45 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.13 2.51 -2.14 0.54 5.02 -1.26 -4.57 118.16 117.13 2k04 n LYS 54 Ca 0.17 -2.27 -0.38 0.00 -2.02 0.00 0.00 58.31 53.81 2k04 n LYS 54 Cb 0.15 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.17 4.05 0.25 -0.35 1.43 -1.17 -4.85 118.68 116.87 2k04 s LEU 55 Ca 0.36 2.46 -0.05 0.00 -1.03 0.00 0.00 54.13 55.87 2k04 s LEU 55 Cb 0.20 -4.14 0.27 0.00 0.03 0.00 0.00 46.19 42.55 2k04 s LEU 55 CO 0.27 -0.98 1.89 0.50 0.23 0.00 0.00 176.35 178.26 2k04 h LYS 56 N 2.16 1.23 0.00 1.70 1.63 -1.93 0.43 116.57 121.80 2k04 h LYS 56 Ca -0.50 -0.12 -0.10 0.00 -0.85 0.00 0.00 60.65 59.09 2k04 h LYS 56 Cb 1.25 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2k04 h LYS 56 CO 0.60 0.87 -0.46 0.11 -3.45 0.00 0.00 179.45 177.12 2k04 h TRP 57 N 1.25 0.00 -0.19 1.91 5.08 -1.98 -1.61 115.95 120.41 2k04 h TRP 57 Ca 0.32 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 60.08 2k04 h TRP 57 Cb -0.04 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.13 2k04 h TRP 57 CO 0.01 0.46 -0.72 0.82 -1.28 0.00 0.00 178.44 177.73 2k04 h ILE 58 N 0.00 1.28 -0.05 0.12 1.08 -1.62 -2.40 117.51 115.92 2k04 h ILE 58 Ca -0.00 -1.91 0.03 0.00 -0.39 0.00 0.00 64.86 62.58 2k04 h ILE 58 Cb 0.91 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 2k04 h ILE 58 CO 0.06 0.61 -0.13 1.56 -0.69 0.00 0.00 178.15 179.56 2k04 h GLN 59 N 0.57 -0.19 -0.04 2.37 1.08 0.28 0.33 115.11 119.51 2k04 h GLN 59 Ca -0.03 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2k04 h GLN 59 Cb 1.34 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2k04 h GLN 59 CO 0.15 -0.12 -0.20 0.93 -0.95 0.00 0.00 178.83 178.63 2k04 h GLU 60 N -0.19 0.07 0.11 1.46 4.39 -1.36 0.13 114.58 119.18 2k04 h GLU 60 Ca 0.06 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2k04 h GLU 60 Cb 0.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k04 h GLU 60 CO -0.16 0.27 -0.05 -0.92 -1.16 0.00 0.00 179.01 176.99 2k04 h TYR 61 N 0.06 -0.14 -0.16 4.33 5.03 -0.78 -2.75 116.97 122.57 2k04 h TYR 61 Ca 0.01 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.36 2k04 h TYR 61 Cb 0.40 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.68 2k04 h TYR 61 CO 0.00 0.36 -0.08 -0.07 -1.32 0.00 0.00 178.16 177.05 2k04 h LEU 62 N -0.78 -0.26 -2.04 2.82 3.38 -0.09 -1.83 115.31 116.50 2k04 h LEU 62 Ca -0.02 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2k04 h LEU 62 Cb 0.56 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2k04 h LEU 62 CO 0.02 -0.11 0.27 -0.33 0.09 0.00 0.00 178.44 178.39 2k04 h GLU 63 N -0.07 0.00 0.07 1.13 5.08 -0.83 0.55 114.58 120.52 2k04 h GLU 63 Ca 0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 2k04 h GLU 63 Cb 0.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k04 h GLU 63 CO -0.20 0.00 -0.91 0.87 -1.00 0.00 0.00 179.01 177.77 2k04 h LYS 64 N 0.00 0.48 0.00 2.33 1.79 -1.04 -2.50 116.57 117.64 2k04 h LYS 64 Ca 0.16 -0.62 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2k04 h LYS 64 Cb 0.70 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2k04 h LYS 64 CO -0.00 1.25 -0.01 0.00 -1.08 0.00 0.00 179.45 179.61 2k04 h LEU 66 N 0.00 -0.94 -1.08 0.00 -0.00 -0.81 -3.27 115.31 109.21 2k04 h LEU 66 Ca -0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2k04 h LEU 66 Cb 0.01 0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2k04 h LEU 66 CO 0.00 -0.56 0.22 -1.13 -0.00 0.00 0.00 178.44 176.98 2k04 h ASN 67 N -0.89 0.80 0.00 -0.43 -0.73 -0.88 -3.51 115.58 109.94 2k04 h ASN 67 Ca -0.08 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 57.98 2k04 h ASN 67 Cb 0.71 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.10 2k04 h ASN 67 CO 0.07 0.73 0.00 2.29 -0.37 0.00 0.00 177.43 180.15