#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 2.25 -0.60 1.97 0.04 -1.26 -4.93 135.00 132.47 2k04 s PRO 2 Ca 0.00 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 2k04 s PRO 2 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2k04 s PRO 2 CO 0.00 -1.55 1.56 0.54 0.04 0.00 0.00 177.00 177.59 2k04 s VAL 3 N -3.07 3.61 0.27 -0.36 0.11 -1.26 -4.87 120.40 114.82 2k04 s VAL 3 Ca 0.60 0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 59.96 2k04 s VAL 3 Cb -0.15 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.38 2k04 s VAL 3 CO 0.55 -1.18 0.54 -0.44 -3.33 0.00 0.00 175.10 171.24 2k04 s SER 4 N 5.62 -0.06 -1.88 3.54 0.01 -1.26 -4.91 113.70 114.76 2k04 s SER 4 Ca 0.55 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2k04 s SER 4 Cb -0.12 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2k04 s SER 4 CO 0.22 -1.22 0.00 -0.11 0.41 0.00 0.00 173.24 172.54 2k04 n LEU 5 N -0.42 -1.27 -3.52 2.44 7.94 -1.26 -4.90 117.00 116.01 2k04 n LEU 5 Ca -0.02 0.44 -0.16 0.00 -1.11 0.00 0.00 56.01 55.16 2k04 n LEU 5 Cb 0.61 -2.55 -0.05 0.00 0.53 0.00 0.00 43.42 41.96 2k04 n LEU 5 CO 0.22 -0.95 0.39 -0.94 -1.11 0.00 0.00 177.39 174.99 2k04 s SER 6 N -2.79 -0.58 -1.27 1.96 1.04 -1.26 -5.09 113.70 105.71 2k04 s SER 6 Ca 0.00 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 2k04 s SER 6 Cb 0.00 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.74 2k04 s SER 6 CO 0.00 -0.71 1.68 -0.72 0.98 0.00 0.00 173.24 174.48 2k04 s TYR 7 N -2.01 2.86 0.03 5.02 1.13 -1.26 -4.87 117.35 118.25 2k04 s TYR 7 Ca -0.07 -1.65 -0.01 0.00 -1.41 0.00 0.00 57.07 53.93 2k04 s TYR 7 Cb -0.01 -4.70 -0.03 0.00 -1.10 0.00 0.00 41.96 36.13 2k04 s TYR 7 CO 0.02 -1.76 -0.02 1.03 -2.51 0.00 0.00 175.55 172.31 2k04 s ARG 8 N 3.91 0.42 0.42 -3.49 0.52 -1.26 -5.16 118.95 114.31 2k04 s ARG 8 Ca 0.52 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 2k04 s ARG 8 Cb 0.03 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.65 2k04 s ARG 8 CO 0.06 -0.07 0.60 0.00 0.02 0.00 0.00 175.30 175.91 2k04 n PRO 10 N -1.94 0.02 -3.14 0.00 -0.04 -1.26 -4.43 135.00 124.21 2k04 n PRO 10 Ca 0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 2k04 n PRO 10 Cb 0.58 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.81 2k04 n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k04 h ARG 12 N 8.92 -0.02 -3.77 0.00 3.08 -1.96 -3.46 114.38 117.16 2k04 h ARG 12 Ca -0.26 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.42 2k04 h ARG 12 Cb 1.10 0.01 -0.35 0.00 0.08 0.00 0.00 29.97 30.80 2k04 h ARG 12 CO 0.91 -0.02 -0.75 -0.06 -1.07 0.00 0.00 179.97 178.98 2k04 s PHE 13 N -1.48 0.45 -0.10 3.04 0.40 -1.26 -5.05 117.98 113.97 2k04 s PHE 13 Ca -0.00 -0.06 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2k04 s PHE 13 Cb 0.00 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.99 2k04 s PHE 13 CO 0.01 -0.17 -0.08 -0.59 0.70 0.00 0.00 175.22 175.10 2k04 s PHE 14 N 1.16 2.93 -0.15 0.36 -0.12 -1.25 -2.05 117.98 118.84 2k04 s PHE 14 Ca -0.08 -0.19 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 2k04 s PHE 14 Cb -0.13 -1.80 -0.01 0.00 -0.63 0.00 0.00 43.02 40.44 2k04 s PHE 14 CO -0.02 0.13 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.18 2k04 s GLU 15 N -0.29 3.41 0.00 1.99 2.12 -0.90 -4.85 118.70 120.18 2k04 s GLU 15 Ca 0.04 -0.66 0.30 0.00 0.36 0.00 0.00 54.97 55.01 2k04 s GLU 15 Cb -0.13 -2.74 1.40 0.00 0.26 0.00 0.00 34.13 32.92 2k04 s GLU 15 CO 0.02 0.13 1.95 0.45 -0.54 0.00 0.00 175.26 177.27 2k04 n SER 16 N 3.80 0.45 -0.34 -1.70 2.88 -1.26 -3.11 113.62 114.35 2k04 n SER 16 Ca -0.18 -0.76 0.07 0.00 -1.33 0.00 0.00 58.87 56.67 2k04 n SER 16 Cb 0.52 -0.07 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2k04 n SER 16 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k04 n HIS 17 N -0.84 0.00 -1.72 0.66 8.25 -1.26 -4.93 115.22 115.37 2k04 n HIS 17 Ca 0.17 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.24 2k04 n HIS 17 Cb 0.24 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.38 2k04 n HIS 17 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k04 n VAL 18 N -0.17 3.29 -4.04 1.59 0.31 -1.18 -4.98 118.33 113.16 2k04 n VAL 18 Ca 0.06 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.54 2k04 n VAL 18 Cb 0.32 -1.62 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 2k04 n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k04 s ALA 19 N -1.27 3.54 -0.44 3.52 0.00 -1.26 -4.98 121.76 120.87 2k04 s ALA 19 Ca 0.67 -0.72 0.23 0.00 0.00 0.00 0.00 51.96 52.14 2k04 s ALA 19 Cb -0.45 -1.85 1.00 0.00 0.00 0.00 0.00 23.12 21.83 2k04 s ALA 19 CO 0.53 0.41 1.70 2.89 0.00 0.00 0.00 175.76 181.29 2k04 n ARG 20 N 2.72 0.19 0.02 0.00 -4.01 -1.26 -1.60 116.66 112.71 2k04 n ARG 20 Ca -0.18 0.45 0.12 0.00 -1.04 0.00 0.00 57.85 57.20 2k04 n ARG 20 Cb 0.53 -1.88 0.49 0.00 -3.04 0.00 0.00 32.46 28.57 2k04 n ARG 20 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2k04 n ALA 21 N -1.77 2.08 -0.47 2.89 0.00 -1.26 -3.48 120.51 118.49 2k04 n ALA 21 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.44 2k04 n ALA 21 Cb 0.20 -1.39 0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.60 2.82 -4.38 0.00 5.15 -0.62 -4.95 115.26 111.67 2k04 n ASN 22 Ca 0.05 -2.42 -0.32 0.00 -0.60 0.00 0.00 54.58 51.30 2k04 n ASN 22 Cb 0.29 -0.28 -0.15 0.00 -0.53 0.00 0.00 39.78 39.11 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 -1.74 2.60 0.07 3.44 0.11 -1.23 -0.56 120.40 123.10 2k04 s VAL 23 Ca 0.23 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 2k04 s VAL 23 Cb 0.17 -1.99 -0.22 0.00 -1.53 0.00 0.00 36.38 32.80 2k04 s VAL 23 CO 0.08 0.58 1.10 0.11 -3.33 0.00 0.00 175.10 173.64 2k04 h LYS 24 N 5.72 0.02 -1.20 1.54 1.57 -0.81 -3.44 116.57 119.98 2k04 h LYS 24 Ca -0.40 -0.04 0.36 0.00 -1.87 0.00 0.00 60.65 58.70 2k04 h LYS 24 Cb 1.16 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 2k04 h LYS 24 CO 0.49 0.89 0.92 -3.38 -0.57 0.00 0.00 179.45 177.81 2k04 s HIS 25 N -2.68 -0.02 0.01 -1.35 -3.43 -1.26 -5.03 115.29 101.53 2k04 s HIS 25 Ca -0.01 -0.02 0.06 0.00 -0.80 0.00 0.00 55.06 54.29 2k04 s HIS 25 Cb 0.09 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.73 2k04 s HIS 25 CO 0.83 -0.11 -0.17 -0.51 -2.00 0.00 0.00 174.74 172.77 2k04 s LEU 26 N -2.83 2.64 -0.21 5.38 1.43 -1.26 -2.83 118.68 121.00 2k04 s LEU 26 Ca 0.14 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2k04 s LEU 26 Cb 0.05 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.75 2k04 s LEU 26 CO -0.05 0.29 -0.13 -0.75 0.23 0.00 0.00 176.35 175.94 2k04 s LYS 27 N -1.18 3.04 -0.28 1.70 2.47 0.55 -4.94 119.74 121.10 2k04 s LYS 27 Ca 0.14 -0.82 -0.09 0.00 -1.56 0.00 0.00 55.97 53.64 2k04 s LYS 27 Cb -0.11 -2.78 -0.02 0.00 -1.46 0.00 0.00 37.83 33.46 2k04 s LYS 27 CO 0.04 -0.26 0.12 0.42 0.16 0.00 0.00 175.35 175.83 2k04 s ILE 28 N 1.34 4.52 -0.38 5.43 1.01 -1.26 -1.00 121.20 130.86 2k04 s ILE 28 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2k04 s ILE 28 Cb -0.14 -3.22 0.16 0.00 0.01 0.00 0.00 42.46 39.26 2k04 s ILE 28 CO -0.08 0.19 0.33 -1.48 0.00 0.00 0.00 174.94 173.89 2k04 s LEU 29 N 1.62 0.59 -0.09 2.97 0.05 -0.29 -5.03 118.68 118.49 2k04 s LEU 29 Ca 0.05 -2.18 -0.27 0.00 0.05 0.00 0.00 54.13 51.78 2k04 s LEU 29 Cb -0.16 0.05 -0.02 0.00 -2.05 0.00 0.00 46.19 44.01 2k04 s LEU 29 CO 0.05 -0.24 0.88 0.20 -0.55 0.00 0.00 176.35 176.69 2k04 s ASN 30 N 0.93 7.13 0.45 1.48 0.01 -1.26 -4.35 114.94 119.33 2k04 s ASN 30 Ca 0.22 1.38 -0.07 0.00 -0.71 0.00 0.00 52.86 53.68 2k04 s ASN 30 Cb -0.13 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 2k04 s ASN 30 CO -0.05 -0.31 0.78 0.42 -1.51 0.00 0.00 177.10 176.42 2k04 s THR 31 N 1.54 4.86 -2.00 1.60 -4.23 -1.26 -4.97 115.64 111.18 2k04 s THR 31 Ca 0.44 0.38 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 2k04 s THR 31 Cb -0.18 -3.81 0.21 0.00 1.34 0.00 0.00 72.50 70.06 2k04 s THR 31 CO 0.19 -0.71 0.86 -2.65 -0.54 0.00 0.00 174.62 171.77 2k04 n PRO 32 N -1.85 0.40 -0.39 3.99 -0.02 -1.26 -2.75 135.00 133.12 2k04 n PRO 32 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2k04 n PRO 32 Cb 0.55 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 2k04 n PRO 32 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2k04 n ASN 33 N -0.79 0.00 -4.25 2.55 6.94 -1.26 -5.09 115.26 113.36 2k04 n ASN 33 Ca 0.06 -1.43 -0.23 0.00 -0.02 0.00 0.00 54.58 52.96 2k04 n ASN 33 Cb 0.03 -0.09 -0.13 0.00 -2.36 0.00 0.00 39.78 37.23 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k04 n ALA 35 N 1.28 -0.20 -3.45 0.00 0.00 -1.26 -4.51 120.51 112.37 2k04 n ALA 35 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 2k04 n ALA 35 Cb 0.54 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 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 0.32 1.91 -0.21 0.00 -1.52 -1.26 -4.64 119.66 114.26 2k04 s GLN 37 Ca -0.00 -1.59 -0.00 0.00 -1.95 0.00 0.00 55.36 51.81 2k04 s GLN 37 Cb -0.04 -3.08 0.02 0.00 -0.22 0.00 0.00 33.01 29.70 2k04 s GLN 37 CO 0.00 -0.76 -0.13 0.42 -0.25 0.00 0.00 175.29 174.57 2k04 s ILE 38 N 1.03 2.45 -0.18 1.08 1.01 -1.26 -1.14 121.20 124.19 2k04 s ILE 38 Ca 0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2k04 s ILE 38 Cb -0.20 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 2k04 s ILE 38 CO -0.06 0.36 -0.04 -0.69 0.00 0.00 0.00 174.94 174.52 2k04 s VAL 39 N 1.30 3.75 -0.10 2.92 1.01 -0.17 -0.95 120.40 128.16 2k04 s VAL 39 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2k04 s VAL 39 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2k04 s VAL 39 CO -0.09 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.37 2k04 s ALA 40 N 0.71 2.77 -0.18 5.51 0.00 0.95 -0.33 121.76 131.19 2k04 s ALA 40 Ca -0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2k04 s ALA 40 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2k04 s ALA 40 CO 0.02 0.40 0.04 0.50 0.00 0.00 0.00 175.76 176.72 2k04 s ARG 41 N -0.21 3.90 0.56 0.00 3.52 -1.13 -0.09 118.95 125.50 2k04 s ARG 41 Ca 0.02 -0.38 -0.21 0.00 -0.13 0.00 0.00 55.73 55.02 2k04 s ARG 41 Cb -0.13 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2k04 s ARG 41 CO 0.03 0.27 1.25 1.28 -0.81 0.00 0.00 175.30 177.31 2k04 n LEU 42 N 3.53 5.01 -0.10 -0.88 4.77 -0.95 -0.19 117.00 128.19 2k04 n LEU 42 Ca -0.17 0.93 -0.22 0.00 -0.03 0.00 0.00 56.01 56.52 2k04 n LEU 42 Cb 0.52 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.98 2k04 n LEU 42 CO 0.35 -0.95 -0.53 0.11 -1.33 0.00 0.00 177.39 175.03 2k04 h LYS 43 N 1.15 0.00 -0.43 3.23 1.57 -1.13 -3.39 116.57 117.56 2k04 h LYS 43 Ca -0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2k04 h LYS 43 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2k04 h LYS 43 CO 0.55 1.00 0.00 0.09 -0.57 0.00 0.00 179.45 180.52 2k04 n ASN 44 N -4.43 1.62 -1.34 0.86 3.02 -1.26 -4.84 115.26 108.89 2k04 n ASN 44 Ca -0.32 -2.09 -0.01 0.00 -0.03 0.00 0.00 54.58 52.12 2k04 n ASN 44 Cb 0.69 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2k04 n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2k04 n ASN 45 N 0.18 -0.35 0.00 6.41 2.85 -1.26 -5.09 115.26 118.00 2k04 n ASN 45 Ca 0.08 -1.22 0.00 0.00 -0.11 0.00 0.00 54.58 53.33 2k04 n ASN 45 Cb 0.30 0.57 0.00 0.00 1.24 0.00 0.00 39.78 41.90 2k04 n ASN 45 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2k04 n ASN 46 N -0.91 0.23 -4.91 1.20 3.02 -1.26 -4.50 115.26 108.14 2k04 n ASN 46 Ca -0.01 -0.60 -0.28 0.00 -0.03 0.00 0.00 54.58 53.66 2k04 n ASN 46 Cb 0.10 0.71 0.07 0.00 -0.61 0.00 0.00 39.78 40.06 2k04 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k04 s ARG 47 N -0.71 2.22 -0.05 3.52 3.03 -1.26 -4.74 118.95 120.96 2k04 s ARG 47 Ca 0.00 0.05 0.01 0.00 2.03 0.00 0.00 55.73 57.82 2k04 s ARG 47 Cb 0.00 -2.05 -0.03 0.00 -1.03 0.00 0.00 34.95 31.84 2k04 s ARG 47 CO 0.00 -1.35 -0.06 1.14 -1.13 0.00 0.00 175.30 173.90 2k04 s GLN 48 N -5.41 2.73 0.25 3.89 1.03 -1.26 -2.23 119.66 118.65 2k04 s GLN 48 Ca 0.60 -0.58 0.12 0.00 0.04 0.00 0.00 55.36 55.54 2k04 s GLN 48 Cb -0.11 -2.59 -0.05 0.00 0.03 0.00 0.00 33.01 30.29 2k04 s GLN 48 CO 0.48 0.65 -0.21 0.14 -2.54 0.00 0.00 175.29 173.81 2k04 s VAL 49 N -0.87 2.39 -0.01 3.63 -7.23 0.87 -4.96 120.40 114.22 2k04 s VAL 49 Ca 0.14 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 2k04 s VAL 49 Cb -0.11 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2k04 s VAL 49 CO 0.03 -0.32 0.13 0.00 -0.31 0.00 0.00 175.10 174.64 2k04 s ILE 51 N -1.25 2.72 -0.13 0.00 -1.09 -0.12 -2.11 121.20 119.21 2k04 s ILE 51 Ca 0.25 -1.35 -0.29 0.00 -2.23 0.00 0.00 60.65 57.02 2k04 s ILE 51 Cb -0.12 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.55 2k04 s ILE 51 CO 0.16 0.24 1.46 -0.62 -1.23 0.00 0.00 174.94 174.95 2k04 s ASP 52 N -1.71 6.76 0.00 3.58 2.15 -1.25 -4.36 116.67 121.83 2k04 s ASP 52 Ca 0.15 1.88 0.00 0.00 0.43 0.00 0.00 52.55 55.01 2k04 s ASP 52 Cb -0.10 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2k04 s ASP 52 CO 0.07 -0.90 0.62 -0.81 -0.17 0.00 0.00 175.17 173.98 2k04 n PRO 53 N 6.97 0.88 0.00 4.34 -0.04 -1.26 -1.43 135.00 144.46 2k04 n PRO 53 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2k04 n PRO 53 Cb 0.44 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.18 1.73 -2.46 0.54 5.02 -1.26 -4.83 118.16 116.73 2k04 n LYS 54 Ca 0.00 -1.13 -0.41 0.00 -2.02 0.00 0.00 58.31 54.75 2k04 n LYS 54 Cb 0.13 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.18 2k04 n LYS 54 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k04 s LEU 55 N -0.64 4.45 0.22 -0.35 0.20 -0.52 -4.89 118.68 117.15 2k04 s LEU 55 Ca 0.00 2.11 -0.08 0.00 0.69 0.00 0.00 54.13 56.86 2k04 s LEU 55 Cb 0.00 -3.60 0.35 0.00 -0.43 0.00 0.00 46.19 42.51 2k04 s LEU 55 CO 0.00 -0.31 1.72 0.50 -0.29 0.00 0.00 176.35 177.97 2k04 h LYS 56 N 5.45 0.34 0.00 1.98 1.63 -1.91 0.38 116.57 124.43 2k04 h LYS 56 Ca -0.44 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.29 2k04 h LYS 56 Cb 1.21 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2k04 h LYS 56 CO 0.74 0.22 -0.26 0.11 -3.45 0.00 0.00 179.45 176.82 2k04 h TRP 57 N 0.35 0.00 -0.09 1.91 5.08 -1.96 -1.90 115.95 119.34 2k04 h TRP 57 Ca 0.35 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.30 2k04 h TRP 57 Cb 0.51 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.67 2k04 h TRP 57 CO -0.21 0.26 -0.04 0.82 -1.28 0.00 0.00 178.44 178.00 2k04 h ILE 58 N 0.00 1.31 0.01 0.12 1.08 -1.31 -1.77 117.51 116.95 2k04 h ILE 58 Ca -0.00 -1.02 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 2k04 h ILE 58 Cb 0.55 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 2k04 h ILE 58 CO 0.03 0.29 -0.08 1.56 -0.69 0.00 0.00 178.15 179.26 2k04 h GLN 59 N -0.18 -0.14 -0.33 2.37 1.08 -0.64 -0.52 115.11 116.74 2k04 h GLN 59 Ca 0.02 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2k04 h GLN 59 Cb 0.47 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2k04 h GLN 59 CO 0.01 -0.10 0.21 0.93 -0.95 0.00 0.00 178.83 178.93 2k04 h GLU 60 N -0.15 0.44 -0.48 1.46 4.39 -1.45 -2.34 114.58 116.46 2k04 h GLU 60 Ca 0.03 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2k04 h GLU 60 Cb 0.18 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2k04 h GLU 60 CO -0.07 0.32 0.24 -0.92 -1.16 0.00 0.00 179.01 177.42 2k04 h TYR 61 N 0.43 0.44 -0.15 4.33 3.20 -0.73 0.49 116.97 124.99 2k04 h TYR 61 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2k04 h TYR 61 Cb -0.01 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2k04 h TYR 61 CO -0.04 0.22 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.59 2k04 h LEU 62 N 0.47 -0.13 -0.93 2.82 3.38 -0.99 -0.92 115.31 119.02 2k04 h LEU 62 Ca 0.21 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2k04 h LEU 62 Cb 0.12 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2k04 h LEU 62 CO -0.15 -0.04 -0.13 -0.33 0.09 0.00 0.00 178.44 177.88 2k04 h GLU 63 N 0.01 0.64 -0.09 1.13 5.08 -0.76 -3.07 114.58 117.50 2k04 h GLU 63 Ca 0.07 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 2k04 h GLU 63 Cb 0.10 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k04 h GLU 63 CO -0.15 0.75 -0.50 0.87 -1.00 0.00 0.00 179.01 178.98 2k04 h LYS 64 N 0.58 0.50 0.00 2.33 1.79 0.35 -3.19 116.57 118.93 2k04 h LYS 64 Ca 0.10 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 2k04 h LYS 64 Cb 0.56 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2k04 h LYS 64 CO 0.04 1.05 -0.10 0.00 -1.08 0.00 0.00 179.45 179.36 2k04 n LEU 66 N -4.39 0.00 -0.17 0.00 -0.00 -1.16 -1.74 117.00 109.54 2k04 n LEU 66 Ca -0.03 0.09 0.05 0.00 -0.00 0.00 0.00 56.01 56.13 2k04 n LEU 66 Cb 0.17 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 43.48 2k04 n LEU 66 CO 0.35 -0.02 0.14 0.59 -0.00 0.00 0.00 177.39 178.45 2k04 n ASN 67 N -1.09 1.04 -0.02 1.45 5.03 -0.17 -5.11 115.26 116.39 2k04 n ASN 67 Ca 0.17 -1.02 0.16 0.00 0.87 0.00 0.00 54.58 54.76 2k04 n ASN 67 Cb 0.12 0.65 0.93 0.00 -1.02 0.00 0.00 39.78 40.46 2k04 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72