#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 1.56 -0.40 1.97 0.04 -1.26 -4.95 135.00 131.96 2k04 s PRO 2 Ca 0.00 -0.45 -0.28 0.00 0.04 0.00 0.00 61.00 60.32 2k04 s PRO 2 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2k04 s PRO 2 CO 0.00 -1.70 1.93 0.54 0.04 0.00 0.00 177.00 177.81 2k04 s VAL 3 N -3.47 3.34 -0.51 -0.36 0.11 -1.26 -4.89 120.40 113.37 2k04 s VAL 3 Ca 0.66 0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 59.97 2k04 s VAL 3 Cb -0.07 -3.58 0.13 0.00 -1.53 0.00 0.00 36.38 31.33 2k04 s VAL 3 CO 0.48 -0.44 0.34 -0.44 -3.33 0.00 0.00 175.10 171.70 2k04 s SER 4 N 7.50 5.44 -0.54 3.54 0.01 -1.26 -4.99 113.70 123.41 2k04 s SER 4 Ca 0.81 -2.28 -0.11 0.00 1.31 0.00 0.00 55.95 55.68 2k04 s SER 4 Cb -0.21 -1.90 0.14 0.00 0.21 0.00 0.00 66.02 64.26 2k04 s SER 4 CO 0.30 -0.53 0.44 -0.76 0.41 0.00 0.00 173.24 173.10 2k04 s LEU 5 N 0.79 5.94 0.58 2.44 1.43 -1.26 -5.06 118.68 123.55 2k04 s LEU 5 Ca 0.11 -2.01 -0.18 0.00 -1.03 0.00 0.00 54.13 51.02 2k04 s LEU 5 Cb -0.22 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2k04 s LEU 5 CO -0.03 -0.72 1.11 -0.44 0.23 0.00 0.00 176.35 176.50 2k04 s SER 6 N 2.81 5.54 -1.18 2.29 0.01 -1.26 -4.87 113.70 117.04 2k04 s SER 6 Ca 0.07 2.08 -0.20 0.00 1.31 0.00 0.00 55.95 59.20 2k04 s SER 6 Cb -0.25 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.45 2k04 s SER 6 CO -0.01 -1.34 1.68 -0.31 0.41 0.00 0.00 173.24 173.68 2k04 s TYR 7 N -2.03 2.55 0.13 2.43 2.02 -1.26 -4.80 117.35 116.41 2k04 s TYR 7 Ca 0.70 -1.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2k04 s TYR 7 Cb -0.22 -4.62 -0.04 0.00 -0.40 0.00 0.00 41.96 36.68 2k04 s TYR 7 CO 0.32 -1.78 0.03 0.50 -1.57 0.00 0.00 175.55 173.06 2k04 s ARG 8 N 4.87 0.94 0.18 -0.62 3.52 -1.26 -5.15 118.95 121.44 2k04 s ARG 8 Ca 0.54 -1.44 -0.12 0.00 -0.13 0.00 0.00 55.73 54.58 2k04 s ARG 8 Cb 0.02 0.11 -0.07 0.00 -1.56 0.00 0.00 34.95 33.45 2k04 s ARG 8 CO 0.02 -0.21 0.54 0.00 -0.81 0.00 0.00 175.30 174.84 2k04 h PRO 10 N 3.05 -0.29 -5.59 0.00 0.13 -1.97 -3.39 132.00 123.94 2k04 h PRO 10 Ca -0.48 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 2k04 h PRO 10 Cb 1.18 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 2k04 h PRO 10 CO 0.68 -0.19 -0.51 0.00 -0.23 0.00 0.00 178.00 177.74 2k04 h ARG 12 N 5.44 0.00 -4.60 0.00 3.08 -2.03 -3.46 114.38 112.81 2k04 h ARG 12 Ca -0.51 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.32 2k04 h ARG 12 Cb 1.21 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.11 2k04 h ARG 12 CO 0.62 0.00 -0.67 -0.59 -1.07 0.00 0.00 179.97 178.26 2k04 s PHE 13 N -3.14 0.96 0.05 3.04 -0.71 -1.26 -5.16 117.98 111.76 2k04 s PHE 13 Ca 0.09 -1.05 0.03 0.00 -1.04 0.00 0.00 56.93 54.95 2k04 s PHE 13 Cb 0.10 -0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2k04 s PHE 13 CO 0.63 -0.29 -0.09 -0.59 -1.34 0.00 0.00 175.22 173.53 2k04 s PHE 14 N -3.78 0.77 -0.14 3.49 -0.71 -1.26 -4.70 117.98 111.65 2k04 s PHE 14 Ca 0.19 -0.48 -0.06 0.00 -1.04 0.00 0.00 56.93 55.53 2k04 s PHE 14 Cb 0.06 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 2k04 s PHE 14 CO -0.00 -0.06 0.08 -1.21 -1.34 0.00 0.00 175.22 172.69 2k04 s GLU 15 N -1.58 3.55 -0.25 1.99 0.41 0.25 -4.96 118.70 118.11 2k04 s GLU 15 Ca -0.08 -0.26 -0.13 0.00 -0.41 0.00 0.00 54.97 54.09 2k04 s GLU 15 Cb -0.10 -3.12 -0.05 0.00 -1.78 0.00 0.00 34.13 29.09 2k04 s GLU 15 CO 0.01 0.58 0.26 -1.54 -0.49 0.00 0.00 175.26 174.07 2k04 s SER 16 N -0.49 6.18 0.00 -0.19 1.04 -1.26 -2.94 113.70 116.04 2k04 s SER 16 Ca 0.11 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2k04 s SER 16 Cb -0.12 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2k04 s SER 16 CO 0.02 -0.05 0.00 1.41 0.98 0.00 0.00 173.24 175.60 2k04 n HIS 17 N 4.77 0.00 -0.91 5.02 8.25 -1.26 -5.03 115.22 126.06 2k04 n HIS 17 Ca -0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.41 2k04 n HIS 17 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 0.00 -1.01 -3.01 1.59 0.31 -1.26 -4.79 118.33 110.16 2k04 n VAL 18 Ca 0.00 0.70 -0.41 0.00 -0.01 0.00 0.00 64.34 64.62 2k04 n VAL 18 Cb 0.00 -1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 31.78 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 -4.19 3.59 0.23 3.52 0.00 -1.26 -4.88 121.76 118.78 2k04 s ALA 19 Ca 0.00 -0.22 0.36 0.00 0.00 0.00 0.00 51.96 52.10 2k04 s ALA 19 Cb 0.00 -3.12 1.62 0.00 0.00 0.00 0.00 23.12 21.62 2k04 s ALA 19 CO 0.00 -0.74 2.08 -0.09 0.00 0.00 0.00 175.76 177.00 2k04 h ARG 20 N 7.62 0.00 0.00 0.00 1.12 -1.98 0.39 114.38 121.53 2k04 h ARG 20 Ca -0.27 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 2k04 h ARG 20 Cb 1.12 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 2k04 h ARG 20 CO 0.81 0.00 -0.12 0.00 -3.11 0.00 0.00 179.97 177.56 2k04 n ALA 21 N -2.09 2.58 -0.02 2.80 0.00 -1.26 -3.94 120.51 118.58 2k04 n ALA 21 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.31 2k04 n ALA 21 Cb 0.25 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.57 2.17 -4.91 0.00 5.15 0.11 -5.02 115.26 111.19 2k04 n ASN 22 Ca 0.06 -1.84 -0.31 0.00 -0.60 0.00 0.00 54.58 51.89 2k04 n ASN 22 Cb 0.35 -0.07 -0.04 0.00 -0.53 0.00 0.00 39.78 39.48 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 -0.88 5.34 -0.21 3.44 0.11 -1.14 -1.78 120.40 125.29 2k04 s VAL 23 Ca 0.09 -0.26 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 2k04 s VAL 23 Cb 0.05 -3.62 -0.20 0.00 -1.53 0.00 0.00 36.38 31.07 2k04 s VAL 23 CO 0.06 0.14 -0.01 0.29 -3.33 0.00 0.00 175.10 172.24 2k04 n LYS 24 N 0.31 0.68 -3.69 1.54 5.02 -0.15 -4.86 118.16 117.02 2k04 n LYS 24 Ca -0.05 0.20 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 2k04 n LYS 24 Cb 0.51 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.53 -0.02 0.11 2.13 -3.43 -1.26 -5.03 115.29 105.26 2k04 s HIS 25 Ca -0.31 -0.07 0.09 0.00 -0.80 0.00 0.00 55.06 53.97 2k04 s HIS 25 Cb 0.08 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2k04 s HIS 25 CO 0.66 -0.24 -0.20 -0.51 -2.00 0.00 0.00 174.74 172.45 2k04 s LEU 26 N -3.16 2.62 -0.21 5.38 1.02 -1.26 -3.23 118.68 119.84 2k04 s LEU 26 Ca 0.17 -0.58 -0.02 0.00 0.02 0.00 0.00 54.13 53.72 2k04 s LEU 26 Cb 0.04 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.77 2k04 s LEU 26 CO -0.04 0.19 -0.09 -0.75 0.02 0.00 0.00 176.35 175.68 2k04 s LYS 27 N -2.06 3.25 -0.16 1.70 2.47 0.15 -4.93 119.74 120.15 2k04 s LYS 27 Ca 0.17 -0.70 -0.02 0.00 -1.56 0.00 0.00 55.97 53.87 2k04 s LYS 27 Cb -0.10 -2.88 -0.01 0.00 -1.46 0.00 0.00 37.83 33.37 2k04 s LYS 27 CO 0.09 -0.21 -0.10 0.42 0.16 0.00 0.00 175.35 175.71 2k04 s ILE 28 N 1.42 3.19 -0.20 5.43 1.01 -1.26 -0.66 121.20 130.13 2k04 s ILE 28 Ca 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 2k04 s ILE 28 Cb -0.14 -2.38 0.09 0.00 0.01 0.00 0.00 42.46 40.04 2k04 s ILE 28 CO -0.06 0.49 0.23 -1.48 0.00 0.00 0.00 174.94 174.12 2k04 s LEU 29 N 0.72 -0.14 -0.01 2.97 0.05 -0.27 -5.03 118.68 116.97 2k04 s LEU 29 Ca -0.05 -0.12 -0.26 0.00 0.05 0.00 0.00 54.13 53.75 2k04 s LEU 29 Cb -0.15 0.44 -0.04 0.00 -2.05 0.00 0.00 46.19 44.38 2k04 s LEU 29 CO 0.02 -0.32 0.80 0.21 -0.55 0.00 0.00 176.35 176.52 2k04 s ASN 30 N 2.34 7.18 0.11 1.48 2.47 -1.26 -1.90 114.94 125.35 2k04 s ASN 30 Ca 0.07 1.42 0.06 0.00 0.42 0.00 0.00 52.86 54.83 2k04 s ASN 30 Cb -0.15 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.13 2k04 s ASN 30 CO -0.12 -0.11 -0.05 0.42 -3.72 0.00 0.00 177.10 173.53 2k04 s THR 31 N 0.54 3.68 0.07 -5.21 -4.23 -1.25 -4.95 115.64 104.28 2k04 s THR 31 Ca 0.42 -1.17 0.26 0.00 -1.18 0.00 0.00 61.69 60.02 2k04 s THR 31 Cb -0.20 -2.75 0.27 0.00 1.34 0.00 0.00 72.50 71.16 2k04 s THR 31 CO 0.23 0.09 1.83 1.55 -0.54 0.00 0.00 174.62 177.78 2k04 h PRO 32 N 3.44 0.00 0.00 3.99 0.13 -1.97 -3.29 132.00 134.30 2k04 h PRO 32 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k04 h PRO 32 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k04 h PRO 32 CO 0.56 0.17 -0.44 -1.71 -0.23 0.00 0.00 178.00 176.35 2k04 n ASN 33 N -3.29 0.51 -4.33 1.44 4.05 -1.26 -5.00 115.26 107.37 2k04 n ASN 33 Ca 0.01 -0.67 -0.18 0.00 0.45 0.00 0.00 54.58 54.19 2k04 n ASN 33 Cb 0.42 1.02 -0.10 0.00 1.23 0.00 0.00 39.78 42.35 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k04 n ALA 35 N -0.37 -2.68 -1.73 0.00 0.00 -1.26 -3.90 120.51 110.56 2k04 n ALA 35 Ca -0.08 -0.82 -0.24 0.00 0.00 0.00 0.00 53.44 52.31 2k04 n ALA 35 Cb 0.61 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 8.12 4.48 -0.08 0.00 2.00 -0.80 -4.46 119.66 128.92 2k04 s GLN 37 Ca 0.85 1.90 0.03 0.00 -2.00 0.00 0.00 55.36 56.14 2k04 s GLN 37 Cb -0.12 -3.23 0.01 0.00 0.80 0.00 0.00 33.01 30.46 2k04 s GLN 37 CO 0.11 -0.11 -0.17 0.42 -0.50 0.00 0.00 175.29 175.03 2k04 s ILE 38 N -0.05 1.55 -0.07 -2.34 1.01 -1.24 -1.11 121.20 118.95 2k04 s ILE 38 Ca 0.53 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.51 2k04 s ILE 38 Cb -0.33 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2k04 s ILE 38 CO 0.37 0.45 -0.22 -0.69 0.00 0.00 0.00 174.94 174.85 2k04 s VAL 39 N 0.50 1.82 -0.01 2.92 1.01 0.17 0.39 120.40 127.19 2k04 s VAL 39 Ca -0.16 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2k04 s VAL 39 Cb -0.17 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2k04 s VAL 39 CO 0.06 0.51 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 2k04 s ALA 40 N 0.09 0.99 -0.21 5.51 0.00 0.12 0.31 121.76 128.56 2k04 s ALA 40 Ca -0.09 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 2k04 s ALA 40 Cb -0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2k04 s ALA 40 CO 0.05 0.23 0.27 1.03 0.00 0.00 0.00 175.76 177.35 2k04 s ARG 41 N -0.23 4.14 0.80 0.00 0.52 -1.20 -0.65 118.95 122.33 2k04 s ARG 41 Ca 0.04 -0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 2k04 s ARG 41 Cb -0.05 -3.52 0.08 0.00 0.52 0.00 0.00 34.95 31.98 2k04 s ARG 41 CO -0.00 0.04 1.15 -0.51 0.02 0.00 0.00 175.30 176.00 2k04 s LEU 42 N 1.08 3.08 -1.39 2.53 1.43 -1.23 -0.98 118.68 123.20 2k04 s LEU 42 Ca 0.13 2.14 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 2k04 s LEU 42 Cb -0.14 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.59 2k04 s LEU 42 CO 0.06 -2.48 2.02 0.29 0.23 0.00 0.00 176.35 176.46 2k04 n LYS 43 N -3.46 3.05 -1.13 1.70 5.02 -0.73 -4.45 118.16 118.16 2k04 n LYS 43 Ca 0.12 -2.94 -0.05 0.00 -2.02 0.00 0.00 58.31 53.42 2k04 n LYS 43 Cb 0.52 -3.29 -0.02 0.00 -0.02 0.00 0.00 35.03 32.22 2k04 n LYS 43 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k04 n ASN 44 N 6.43 -5.74 0.24 4.39 4.13 -1.26 -4.86 115.26 118.58 2k04 n ASN 44 Ca 0.49 0.11 -0.10 0.00 1.68 0.00 0.00 54.58 56.76 2k04 n ASN 44 Cb 0.41 -3.65 -0.05 0.00 -1.54 0.00 0.00 39.78 34.95 2k04 n ASN 44 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2k04 h ASN 45 N 0.00 -0.56 0.00 6.41 4.21 -1.95 -3.47 115.58 120.22 2k04 h ASN 45 Ca -0.09 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2k04 h ASN 45 Cb 1.03 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 2k04 h ASN 45 CO 0.14 -0.21 0.00 0.59 -1.29 0.00 0.00 177.43 176.65 2k04 n ASN 46 N -4.80 -0.14 -0.92 5.81 4.13 -1.26 -5.17 115.26 112.91 2k04 n ASN 46 Ca -0.08 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2k04 n ASN 46 Cb 0.26 0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 2k04 n ASN 46 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2k04 n ARG 47 N -2.77 0.00 -3.61 3.52 0.00 -1.26 -5.11 116.66 107.42 2k04 n ARG 47 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 2k04 n ARG 47 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 32.46 32.39 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 -1.76 4.17 0.14 2.89 0.74 -1.26 -3.57 119.66 121.01 2k04 s GLN 48 Ca 0.00 0.01 0.07 0.00 0.05 0.00 0.00 55.36 55.50 2k04 s GLN 48 Cb 0.00 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 2k04 s GLN 48 CO 0.00 0.31 -0.06 0.14 -0.55 0.00 0.00 175.29 175.13 2k04 s VAL 49 N 0.27 3.48 -0.17 1.34 -7.23 0.17 -4.98 120.40 113.29 2k04 s VAL 49 Ca 0.14 -1.40 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2k04 s VAL 49 Cb -0.13 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2k04 s VAL 49 CO 0.03 -0.01 0.01 0.00 -0.31 0.00 0.00 175.10 174.81 2k04 s ILE 51 N 0.35 4.03 -0.11 0.00 -1.09 0.16 0.85 121.20 125.40 2k04 s ILE 51 Ca -0.01 -0.93 -0.25 0.00 -2.23 0.00 0.00 60.65 57.23 2k04 s ILE 51 Cb -0.13 -2.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.82 2k04 s ILE 51 CO 0.02 0.16 0.78 -0.62 -1.23 0.00 0.00 174.94 174.05 2k04 s ASP 52 N -2.20 7.00 0.00 3.58 2.15 -1.15 -3.66 116.67 122.39 2k04 s ASP 52 Ca 0.25 1.21 0.12 0.00 0.43 0.00 0.00 52.55 54.56 2k04 s ASP 52 Cb -0.12 -2.44 0.72 0.00 -0.30 0.00 0.00 42.92 40.78 2k04 s ASP 52 CO 0.17 -0.26 1.27 -0.81 -0.17 0.00 0.00 175.17 175.37 2k04 n PRO 53 N 4.48 0.74 -0.47 4.34 -0.04 -1.26 -2.48 135.00 140.30 2k04 n PRO 53 Ca 0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2k04 n PRO 53 Cb 0.50 -1.26 0.23 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.76 2.52 0.00 0.54 5.02 -1.26 -4.81 118.16 119.41 2k04 n LYS 54 Ca 0.09 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 2k04 n LYS 54 Cb 0.04 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2k04 n LYS 54 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k04 n LEU 55 N -0.74 0.00 -0.02 -0.35 4.77 -1.03 -5.05 117.00 114.58 2k04 n LEU 55 Ca 0.23 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2k04 n LEU 55 Cb 0.89 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 2k04 n LEU 55 CO 0.14 -0.25 -0.60 1.17 -1.33 0.00 0.00 177.39 176.53 2k04 n LYS 56 N 0.00 0.07 0.20 3.23 3.00 -1.26 -4.51 118.16 118.89 2k04 n LYS 56 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 58.31 58.38 2k04 n LYS 56 Cb 0.00 -0.93 0.41 0.00 0.00 0.00 0.00 35.03 34.51 2k04 n LYS 56 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 2k04 h TRP 57 N -0.03 0.00 -0.63 5.64 5.08 -1.96 -1.89 115.95 122.15 2k04 h TRP 57 Ca -0.07 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.81 2k04 h TRP 57 Cb 1.09 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.23 2k04 h TRP 57 CO -0.00 0.34 0.05 0.82 -1.28 0.00 0.00 178.44 178.37 2k04 h ILE 58 N 0.00 1.26 -0.30 0.12 1.08 -1.91 -1.28 117.51 116.49 2k04 h ILE 58 Ca -0.00 -1.09 -0.09 0.00 -0.39 0.00 0.00 64.86 63.28 2k04 h ILE 58 Cb 0.66 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k04 h ILE 58 CO 0.04 0.40 -0.17 1.56 -0.69 0.00 0.00 178.15 179.29 2k04 h GLN 59 N 1.00 0.64 -0.36 2.37 1.08 -1.61 -0.17 115.11 118.05 2k04 h GLN 59 Ca 0.19 -0.29 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2k04 h GLN 59 Cb 0.49 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 2k04 h GLN 59 CO 0.02 0.88 0.10 0.93 -0.95 0.00 0.00 178.83 179.81 2k04 h GLU 60 N 0.39 0.22 -0.22 1.46 4.39 -1.31 0.23 114.58 119.73 2k04 h GLU 60 Ca 0.06 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2k04 h GLU 60 Cb 0.71 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2k04 h GLU 60 CO 0.05 0.15 0.09 -0.92 -1.16 0.00 0.00 179.01 177.22 2k04 h TYR 61 N 0.23 0.16 0.05 4.33 3.20 -0.82 0.30 116.97 124.43 2k04 h TYR 61 Ca 0.17 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2k04 h TYR 61 Cb 0.17 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2k04 h TYR 61 CO -0.17 0.08 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.34 2k04 h LEU 62 N 0.20 -0.06 -1.13 2.82 3.38 -0.62 -0.81 115.31 119.09 2k04 h LEU 62 Ca 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2k04 h LEU 62 Cb 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2k04 h LEU 62 CO -0.09 0.11 0.37 -0.33 0.09 0.00 0.00 178.44 178.58 2k04 h GLU 63 N -0.23 0.97 0.16 1.13 5.08 -0.30 -2.60 114.58 118.79 2k04 h GLU 63 Ca -0.01 -0.11 -0.31 0.00 -1.00 0.00 0.00 59.36 57.93 2k04 h GLU 63 Cb 0.20 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k04 h GLU 63 CO 0.01 0.72 -1.46 0.87 -1.00 0.00 0.00 179.01 178.16 2k04 h LYS 64 N 0.97 0.34 -0.53 2.33 1.79 -0.33 -3.18 116.57 117.97 2k04 h LYS 64 Ca 0.24 -0.58 -0.04 0.00 -2.18 0.00 0.00 60.65 58.09 2k04 h LYS 64 Cb 0.05 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 2k04 h LYS 64 CO -0.04 1.25 0.17 0.00 -1.08 0.00 0.00 179.45 179.75 2k04 h LEU 66 N 0.77 0.00 0.00 0.00 8.10 -1.54 -0.93 115.31 121.70 2k04 h LEU 66 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2k04 h LEU 66 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 2k04 h LEU 66 CO -0.01 0.00 -0.72 -1.13 -4.11 0.00 0.00 178.44 172.47 2k04 h ASN 67 N 0.00 0.00 -0.03 0.17 -0.73 -1.22 -3.52 115.58 110.25 2k04 h ASN 67 Ca 0.00 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 57.98 2k04 h ASN 67 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 2k04 h ASN 67 CO 0.00 0.09 0.00 0.29 -0.37 0.00 0.00 177.43 177.44