#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k05 s PRO 2 N 0.00 2.43 -0.42 1.97 0.04 -1.26 -4.81 135.00 132.96 2k05 s PRO 2 Ca 0.00 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.57 2k05 s PRO 2 Cb 0.00 -4.63 0.18 0.00 0.04 0.00 0.00 34.50 30.08 2k05 s PRO 2 CO 0.00 -3.14 0.36 0.28 0.04 0.00 0.00 177.00 174.54 2k05 n VAL 3 N 7.65 -1.07 -3.83 -0.36 0.31 -1.26 -5.10 118.33 114.67 2k05 n VAL 3 Ca 0.30 -3.53 -0.07 0.00 -0.01 0.00 0.00 64.34 61.04 2k05 n VAL 3 Cb 0.50 -1.70 0.01 0.00 -0.91 0.00 0.00 33.84 31.75 2k05 n VAL 3 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k05 s SER 4 N -0.11 -0.05 -0.09 4.52 0.01 -1.26 -5.04 113.70 111.66 2k05 s SER 4 Ca 0.33 -0.87 0.14 0.00 1.31 0.00 0.00 55.95 56.85 2k05 s SER 4 Cb 0.05 0.71 0.21 0.00 0.21 0.00 0.00 66.02 67.20 2k05 s SER 4 CO -0.19 -1.39 1.11 0.00 0.41 0.00 0.00 173.24 173.18 2k05 n LEU 5 N -0.55 1.70 -4.79 2.44 -0.00 -1.26 -5.08 117.00 109.46 2k05 n LEU 5 Ca -0.06 -2.51 -0.30 0.00 -0.00 0.00 0.00 56.01 53.14 2k05 n LEU 5 Cb 0.60 -0.31 0.10 0.00 -0.00 0.00 0.00 43.42 43.81 2k05 n LEU 5 CO 0.22 0.58 0.71 -0.94 -0.00 0.00 0.00 177.39 177.96 2k05 s SER 6 N -2.36 4.30 -0.36 1.45 1.04 -1.26 -4.98 113.70 111.53 2k05 s SER 6 Ca 0.23 1.29 -0.25 0.00 0.48 0.00 0.00 55.95 57.70 2k05 s SER 6 Cb 0.20 -2.00 0.01 0.00 0.10 0.00 0.00 66.02 64.34 2k05 s SER 6 CO 0.02 -2.09 0.87 -0.72 0.98 0.00 0.00 173.24 172.31 2k05 s TYR 7 N -3.15 3.10 0.18 5.02 -0.85 -1.26 -4.98 117.35 115.40 2k05 s TYR 7 Ca 0.61 0.71 0.04 0.00 -0.52 0.00 0.00 57.07 57.91 2k05 s TYR 7 Cb -0.15 -3.55 -0.05 0.00 0.38 0.00 0.00 41.96 38.60 2k05 s TYR 7 CO 0.54 -0.78 -0.06 1.03 -1.52 0.00 0.00 175.55 174.76 2k05 s ARG 8 N 3.33 1.16 -0.03 -3.49 0.52 -1.26 -4.80 118.95 114.38 2k05 s ARG 8 Ca 0.36 -1.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.06 2k05 s ARG 8 Cb -0.12 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.75 2k05 s ARG 8 CO 0.18 0.00 -0.11 0.00 0.02 0.00 0.00 175.30 175.39 2k05 h PRO 10 N 6.37 -0.17 -6.25 0.00 0.11 -1.98 -3.41 132.00 126.66 2k05 h PRO 10 Ca -0.33 0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.33 2k05 h PRO 10 Cb 1.17 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k05 h PRO 10 CO 0.48 -0.11 -0.39 0.00 -0.21 0.00 0.00 178.00 177.77 2k05 h ARG 12 N 1.10 0.34 -4.75 0.00 2.43 -2.02 -3.46 114.38 108.01 2k05 h ARG 12 Ca -0.52 -0.47 -0.25 0.00 -0.81 0.00 0.00 59.98 57.94 2k05 h ARG 12 Cb 1.23 0.16 -0.15 0.00 -0.42 0.00 0.00 29.97 30.79 2k05 h ARG 12 CO 0.61 1.17 -0.70 -0.06 -1.51 0.00 0.00 179.97 179.49 2k05 s PHE 13 N -2.77 1.01 0.09 2.20 0.08 -1.26 -5.12 117.98 112.22 2k05 s PHE 13 Ca -0.14 -0.90 0.07 0.00 0.12 0.00 0.00 56.93 56.09 2k05 s PHE 13 Cb 0.02 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 2k05 s PHE 13 CO 0.82 -0.11 -0.19 -0.59 -0.10 0.00 0.00 175.22 175.05 2k05 s PHE 14 N -3.57 1.61 -0.12 0.36 -0.12 -1.26 -4.70 117.98 110.17 2k05 s PHE 14 Ca 0.14 -0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 56.30 2k05 s PHE 14 Cb 0.05 -0.89 -0.02 0.00 -0.63 0.00 0.00 43.02 41.53 2k05 s PHE 14 CO -0.03 0.16 1.21 -1.21 -0.05 0.00 0.00 175.22 175.30 2k05 s GLU 15 N -1.85 4.29 -0.03 1.99 8.01 0.33 -4.81 118.70 126.63 2k05 s GLU 15 Ca 0.04 1.63 0.21 0.00 0.01 0.00 0.00 54.97 56.85 2k05 s GLU 15 Cb -0.10 -3.66 0.64 0.00 -4.31 0.00 0.00 34.13 26.70 2k05 s GLU 15 CO 0.04 -0.58 1.54 0.43 0.01 0.00 0.00 175.26 176.70 2k05 n SER 16 N 5.94 4.07 -3.59 -0.19 7.64 -1.26 -0.55 113.62 125.68 2k05 n SER 16 Ca 0.12 -2.11 -0.11 0.00 1.01 0.00 0.00 58.87 57.78 2k05 n SER 16 Cb 0.46 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 2k05 n SER 16 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k05 s HIS 17 N -1.21 -0.28 0.00 1.43 3.76 -1.26 -4.75 115.29 112.98 2k05 s HIS 17 Ca 0.48 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 2k05 s HIS 17 Cb 0.26 0.32 0.00 0.00 1.11 0.00 0.00 32.58 34.27 2k05 s HIS 17 CO 0.30 -0.73 0.00 1.55 -0.85 0.00 0.00 174.74 175.01 2k05 n VAL 18 N -0.22 0.00 -3.78 -0.90 3.14 -1.26 -5.01 118.33 110.30 2k05 n VAL 18 Ca -0.16 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.86 2k05 n VAL 18 Cb 0.64 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.32 2k05 n VAL 18 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k05 s ALA 19 N -2.00 3.53 -0.22 1.55 0.00 -1.26 -4.96 121.76 118.40 2k05 s ALA 19 Ca 0.00 -0.83 0.28 0.00 0.00 0.00 0.00 51.96 51.41 2k05 s ALA 19 Cb 0.00 -2.16 1.17 0.00 0.00 0.00 0.00 23.12 22.13 2k05 s ALA 19 CO 0.00 -0.05 1.83 0.07 0.00 0.00 0.00 175.76 177.61 2k05 h ARG 20 N 7.20 0.00 0.00 0.00 -0.00 -2.00 0.34 114.38 119.92 2k05 h ARG 20 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 2k05 h ARG 20 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2k05 h ARG 20 CO 0.68 0.00 -0.12 0.00 -0.00 0.00 0.00 179.97 180.53 2k05 n ALA 21 N -1.91 2.55 0.73 0.08 0.00 -1.26 -3.40 120.51 117.30 2k05 n ALA 21 Ca 0.01 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.43 2k05 n ALA 21 Cb 0.25 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 2k05 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k05 n ASN 22 N -1.66 0.67 -4.85 0.00 4.05 0.09 -4.89 115.26 108.66 2k05 n ASN 22 Ca 0.06 -0.47 -0.37 0.00 0.45 0.00 0.00 54.58 54.25 2k05 n ASN 22 Cb 0.36 0.90 -0.06 0.00 1.23 0.00 0.00 39.78 42.21 2k05 n ASN 22 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2k05 s VAL 23 N -3.13 5.35 0.09 3.44 -7.23 -1.06 -0.38 120.40 117.49 2k05 s VAL 23 Ca 0.05 0.41 0.10 0.00 -1.81 0.00 0.00 61.98 60.73 2k05 s VAL 23 Cb 0.15 -3.51 -0.12 0.00 0.56 0.00 0.00 36.38 33.47 2k05 s VAL 23 CO 0.82 0.59 1.38 0.11 -0.31 0.00 0.00 175.10 177.69 2k05 h LYS 24 N 5.03 0.00 -2.50 4.82 1.57 -1.24 -3.46 116.57 120.79 2k05 h LYS 24 Ca -0.53 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.40 2k05 h LYS 24 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 2k05 h LYS 24 CO 0.60 0.82 0.48 -3.38 -0.57 0.00 0.00 179.45 177.41 2k05 s HIS 25 N -2.93 -0.04 -0.10 -1.35 -3.43 -1.26 -5.03 115.29 101.14 2k05 s HIS 25 Ca 0.01 -0.34 0.04 0.00 -0.80 0.00 0.00 55.06 53.97 2k05 s HIS 25 Cb 0.10 0.68 0.00 0.00 -1.43 0.00 0.00 32.58 31.94 2k05 s HIS 25 CO 0.79 -0.96 -0.24 -1.17 -2.00 0.00 0.00 174.74 171.17 2k05 s LEU 26 N -3.10 2.08 -0.13 5.38 2.96 -1.26 -4.18 118.68 120.41 2k05 s LEU 26 Ca 0.16 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2k05 s LEU 26 Cb -0.02 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.30 2k05 s LEU 26 CO 0.04 0.15 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.40 2k05 s LYS 27 N 0.38 1.61 -0.19 1.98 2.20 0.49 -4.95 119.74 121.25 2k05 s LYS 27 Ca -0.18 -0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 54.99 2k05 s LYS 27 Cb -0.18 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.33 2k05 s LYS 27 CO 0.08 -0.31 0.06 0.42 -0.36 0.00 0.00 175.35 175.24 2k05 s ILE 28 N 1.66 4.67 -0.04 5.43 1.01 -1.26 0.10 121.20 132.77 2k05 s ILE 28 Ca 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2k05 s ILE 28 Cb -0.13 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 2k05 s ILE 28 CO -0.08 0.44 -0.17 -0.76 0.00 0.00 0.00 174.94 174.37 2k05 s LEU 29 N 0.54 1.92 -0.46 2.97 1.02 0.88 -5.00 118.68 120.55 2k05 s LEU 29 Ca 0.03 -0.35 -0.14 0.00 0.02 0.00 0.00 54.13 53.69 2k05 s LEU 29 Cb -0.13 -0.96 0.08 0.00 0.02 0.00 0.00 46.19 45.20 2k05 s LEU 29 CO 0.01 0.16 0.37 0.21 0.02 0.00 0.00 176.35 177.12 2k05 s ASN 30 N 0.01 6.01 0.30 2.29 2.47 -1.26 -1.03 114.94 123.72 2k05 s ASN 30 Ca -0.03 -1.43 0.08 0.00 0.42 0.00 0.00 52.86 51.90 2k05 s ASN 30 Cb -0.11 -2.13 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 2k05 s ASN 30 CO 0.02 -0.64 0.16 0.42 -3.72 0.00 0.00 177.10 173.34 2k05 s THR 31 N 1.57 3.68 -2.57 -5.21 -4.23 -1.25 -5.03 115.64 102.61 2k05 s THR 31 Ca 0.04 -1.57 0.27 0.00 -1.18 0.00 0.00 61.69 59.24 2k05 s THR 31 Cb -0.25 -3.13 0.47 0.00 1.34 0.00 0.00 72.50 70.94 2k05 s THR 31 CO 0.05 -0.27 1.63 -0.81 -0.54 0.00 0.00 174.62 174.68 2k05 n PRO 32 N -1.16 1.81 -0.08 3.99 -0.04 -1.26 -4.07 135.00 134.18 2k05 n PRO 32 Ca -0.05 -1.18 -0.09 0.00 -0.04 0.00 0.00 63.50 62.15 2k05 n PRO 32 Cb 0.59 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 2k05 n PRO 32 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k05 n ASN 33 N 0.43 0.99 -4.25 3.54 5.15 -1.26 -4.93 115.26 114.93 2k05 n ASN 33 Ca 0.18 -0.01 -0.25 0.00 -0.60 0.00 0.00 54.58 53.90 2k05 n ASN 33 Cb 0.40 0.81 -0.14 0.00 -0.53 0.00 0.00 39.78 40.32 2k05 n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k05 h ALA 35 N 4.69 -0.46 -2.17 0.00 0.00 -1.93 -3.33 119.26 116.05 2k05 h ALA 35 Ca -0.43 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2k05 h ALA 35 Cb 1.17 0.83 -0.22 0.00 0.00 0.00 0.00 17.79 19.57 2k05 h ALA 35 CO 0.43 -0.87 0.05 0.00 0.00 0.00 0.00 179.25 178.85 2k05 s GLN 37 N 0.34 1.26 -0.09 0.00 2.00 -0.20 -4.47 119.66 118.50 2k05 s GLN 37 Ca -0.00 -0.20 -0.01 0.00 -2.00 0.00 0.00 55.36 53.15 2k05 s GLN 37 Cb -0.04 -1.26 -0.03 0.00 0.80 0.00 0.00 33.01 32.47 2k05 s GLN 37 CO 0.01 -0.15 -0.05 0.42 -0.50 0.00 0.00 175.29 175.02 2k05 s ILE 38 N 1.29 3.84 -0.07 -2.34 1.01 -1.15 -0.08 121.20 123.70 2k05 s ILE 38 Ca -0.04 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.25 2k05 s ILE 38 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2k05 s ILE 38 CO -0.03 0.58 -0.24 -0.69 0.00 0.00 0.00 174.94 174.56 2k05 s VAL 39 N -0.56 1.98 -0.02 2.92 1.01 0.29 0.64 120.40 126.66 2k05 s VAL 39 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2k05 s VAL 39 Cb -0.12 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2k05 s VAL 39 CO 0.02 0.55 -0.00 0.00 0.00 0.00 0.00 175.10 175.66 2k05 s ALA 40 N -0.00 0.22 -0.26 5.51 0.00 0.15 -0.38 121.76 127.00 2k05 s ALA 40 Ca -0.08 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 2k05 s ALA 40 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2k05 s ALA 40 CO 0.05 -0.03 0.29 1.03 0.00 0.00 0.00 175.76 177.10 2k05 s ARG 41 N 0.59 4.02 0.64 0.00 0.52 -1.26 -0.35 118.95 123.11 2k05 s ARG 41 Ca -0.05 -0.09 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 2k05 s ARG 41 Cb -0.08 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 2k05 s ARG 41 CO -0.01 -0.17 1.19 -0.51 0.02 0.00 0.00 175.30 175.81 2k05 s LEU 42 N 1.75 3.52 -0.50 2.53 1.43 -1.17 -0.77 118.68 125.46 2k05 s LEU 42 Ca 0.12 2.30 -0.10 0.00 -1.03 0.00 0.00 54.13 55.42 2k05 s LEU 42 Cb -0.15 -4.59 0.13 0.00 0.03 0.00 0.00 46.19 41.61 2k05 s LEU 42 CO 0.09 -1.78 0.39 -1.59 0.23 0.00 0.00 176.35 173.69 2k05 s LYS 43 N -3.64 2.58 0.00 1.70 -2.85 0.49 -4.67 119.74 113.36 2k05 s LYS 43 Ca 0.74 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 2k05 s LYS 43 Cb -0.28 -3.98 0.00 0.00 -2.06 0.00 0.00 37.83 31.51 2k05 s LYS 43 CO 0.38 -1.21 0.00 -1.71 0.10 0.00 0.00 175.35 172.90 2k05 n ASN 44 N 4.85 0.00 -0.99 0.03 5.15 -1.26 -4.89 115.26 118.14 2k05 n ASN 44 Ca -0.07 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 53.93 2k05 n ASN 44 Cb 0.41 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.66 2k05 n ASN 44 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k05 n ASN 45 N 0.00 0.44 -3.14 1.20 4.13 -1.26 -5.10 115.26 111.52 2k05 n ASN 45 Ca 0.00 -1.96 -0.13 0.00 1.68 0.00 0.00 54.58 54.16 2k05 n ASN 45 Cb 0.00 -0.22 0.08 0.00 -1.54 0.00 0.00 39.78 38.10 2k05 n ASN 45 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k05 n ASN 46 N 0.24 0.39 -5.01 6.41 5.03 -1.26 -5.10 115.26 115.95 2k05 n ASN 46 Ca 0.02 -1.42 -0.20 0.00 0.87 0.00 0.00 54.58 53.85 2k05 n ASN 46 Cb 0.91 -0.42 0.04 0.00 -1.02 0.00 0.00 39.78 39.29 2k05 n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k05 s ARG 47 N -4.10 2.40 -0.16 3.52 1.04 -1.26 -4.86 118.95 115.53 2k05 s ARG 47 Ca 0.36 -1.60 -0.12 0.00 -1.04 0.00 0.00 55.73 53.33 2k05 s ARG 47 Cb -0.01 -2.61 -0.05 0.00 -2.04 0.00 0.00 34.95 30.24 2k05 s ARG 47 CO 0.24 -0.71 0.23 1.14 -0.04 0.00 0.00 175.30 176.16 2k05 s GLN 48 N -4.56 4.10 0.21 3.89 -2.07 -1.26 -3.04 119.66 116.93 2k05 s GLN 48 Ca 0.58 -0.01 0.10 0.00 -1.82 0.00 0.00 55.36 54.20 2k05 s GLN 48 Cb -0.06 -3.38 -0.04 0.00 -1.09 0.00 0.00 33.01 28.44 2k05 s GLN 48 CO 0.36 0.36 -0.11 0.14 -1.32 0.00 0.00 175.29 174.72 2k05 s VAL 49 N 0.13 3.03 -0.10 3.63 -7.23 0.52 -4.97 120.40 115.40 2k05 s VAL 49 Ca 0.14 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 2k05 s VAL 49 Cb -0.12 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 2k05 s VAL 49 CO 0.03 -0.21 -0.14 0.00 -0.31 0.00 0.00 175.10 174.47 2k05 s ILE 51 N 0.02 4.41 0.10 0.00 -0.00 0.21 0.12 121.20 126.06 2k05 s ILE 51 Ca -0.04 -0.41 -0.31 0.00 -0.00 0.00 0.00 60.65 59.88 2k05 s ILE 51 Cb -0.14 -2.95 -0.09 0.00 -0.00 0.00 0.00 42.46 39.28 2k05 s ILE 51 CO 0.04 0.44 1.57 -0.62 -0.00 0.00 0.00 174.94 176.38 2k05 s ASP 52 N -1.39 6.64 0.32 4.36 -1.08 0.29 -2.92 116.67 122.89 2k05 s ASP 52 Ca 0.18 2.48 0.24 0.00 -0.52 0.00 0.00 52.55 54.93 2k05 s ASP 52 Cb -0.12 -2.58 1.14 0.00 -1.46 0.00 0.00 42.92 39.91 2k05 s ASP 52 CO 0.09 -0.82 1.72 1.55 0.52 0.00 0.00 175.17 178.23 2k05 h PRO 53 N 7.58 0.00 -0.11 4.34 0.13 -1.92 -1.48 132.00 140.54 2k05 h PRO 53 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k05 h PRO 53 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k05 h PRO 53 CO 0.91 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.31 2k05 n LYS 54 N -2.32 2.29 -1.76 0.86 5.02 -1.26 -4.47 118.16 116.52 2k05 n LYS 54 Ca 0.00 -1.89 -0.41 0.00 -2.02 0.00 0.00 58.31 53.99 2k05 n LYS 54 Cb 0.13 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2k05 n LYS 54 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k05 n LEU 55 N 1.24 4.55 -0.14 -0.35 0.00 -0.56 -4.75 117.00 116.99 2k05 n LEU 55 Ca 0.16 1.19 -0.04 0.00 0.00 0.00 0.00 56.01 57.32 2k05 n LEU 55 Cb 0.57 -1.60 0.04 0.00 0.00 0.00 0.00 43.42 42.43 2k05 n LEU 55 CO 0.15 0.14 0.93 0.50 0.00 0.00 0.00 177.39 179.11 2k05 h LYS 56 N 3.77 0.27 0.00 1.96 1.63 -1.90 0.24 116.57 122.55 2k05 h LYS 56 Ca -0.49 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.23 2k05 h LYS 56 Cb 1.24 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2k05 h LYS 56 CO 0.71 0.18 -0.31 0.11 -3.45 0.00 0.00 179.45 176.68 2k05 h TRP 57 N 0.28 0.00 -0.22 1.91 5.08 -1.97 -1.18 115.95 119.84 2k05 h TRP 57 Ca 0.21 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.15 2k05 h TRP 57 Cb 0.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.39 2k05 h TRP 57 CO -0.18 0.31 0.03 0.82 -1.28 0.00 0.00 178.44 178.14 2k05 h ILE 58 N 0.00 1.24 -0.34 0.12 1.08 -1.43 0.39 117.51 118.57 2k05 h ILE 58 Ca -0.00 -0.79 0.07 0.00 -0.39 0.00 0.00 64.86 63.75 2k05 h ILE 58 Cb 0.67 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 35.66 2k05 h ILE 58 CO 0.04 0.25 -0.16 1.56 -0.69 0.00 0.00 178.15 179.15 2k05 h GLN 59 N 0.17 -0.10 0.18 2.37 1.08 -0.10 0.98 115.11 119.69 2k05 h GLN 59 Ca 0.07 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2k05 h GLN 59 Cb 0.34 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2k05 h GLN 59 CO 0.01 -0.07 -0.09 0.93 -0.95 0.00 0.00 178.83 178.67 2k05 h GLU 60 N -0.10 -0.23 -0.71 1.46 4.39 -1.08 -2.53 114.58 115.77 2k05 h GLU 60 Ca 0.17 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2k05 h GLU 60 Cb 0.36 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2k05 h GLU 60 CO -0.41 -0.05 0.46 -0.92 -1.16 0.00 0.00 179.01 176.93 2k05 h TYR 61 N -0.36 0.87 0.05 4.33 3.20 0.38 0.16 116.97 125.60 2k05 h TYR 61 Ca -0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k05 h TYR 61 Cb 0.28 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2k05 h TYR 61 CO -0.03 0.53 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.92 2k05 h LEU 62 N 0.92 -0.05 -2.01 2.82 3.38 -0.84 0.10 115.31 119.64 2k05 h LEU 62 Ca 0.27 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.18 2k05 h LEU 62 Cb -0.05 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2k05 h LEU 62 CO -0.08 0.14 0.28 -0.33 0.09 0.00 0.00 178.44 178.54 2k05 h GLU 63 N -0.25 0.00 0.03 1.13 5.08 -0.94 0.66 114.58 120.29 2k05 h GLU 63 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2k05 h GLU 63 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k05 h GLU 63 CO 0.01 0.00 -0.47 0.87 -1.00 0.00 0.00 179.01 178.42 2k05 h LYS 64 N 0.00 0.26 0.00 2.33 1.79 0.04 -3.30 116.57 117.70 2k05 h LYS 64 Ca 0.18 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 58.25 2k05 h LYS 64 Cb 0.73 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2k05 h LYS 64 CO -0.00 1.06 -0.36 0.00 -1.08 0.00 0.00 179.45 179.07 2k05 h LEU 66 N 0.00 0.67 0.00 0.00 7.12 -0.95 -3.35 115.31 118.80 2k05 h LEU 66 Ca -0.00 -0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.93 2k05 h LEU 66 Cb 0.76 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 2k05 h LEU 66 CO 0.05 0.48 -1.22 -3.20 -0.13 0.00 0.00 178.44 174.42 2k05 n ASN 67 N -4.45 1.31 0.00 1.25 2.85 -1.11 -5.10 115.26 110.01 2k05 n ASN 67 Ca 0.06 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 2k05 n ASN 67 Cb 0.06 -0.10 0.00 0.00 1.24 0.00 0.00 39.78 40.98 2k05 n ASN 67 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44