#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdf s VAL 2 N 0.00 1.38 -0.04 -3.33 1.01 -1.26 -2.30 120.40 115.86 1hdf s VAL 2 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1hdf s VAL 2 Cb 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1hdf s VAL 2 CO 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 175.10 175.46 1hdf s LYS 4 N 0.89 3.97 0.02 0.00 1.02 -1.26 -0.02 119.74 124.37 1hdf s LYS 4 Ca -0.12 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1hdf s LYS 4 Cb -0.14 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1hdf s LYS 4 CO 0.00 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1hdf n GLY 5 N 0.57 -4.21 3.52 -3.33 0.00 0.43 -4.85 105.19 97.32 1hdf n GLY 5 Ca 0.05 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1hdf n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hdf s VAL 6 N -0.27 1.83 -0.02 1.61 -7.23 -1.26 -4.80 120.40 110.27 1hdf s VAL 6 Ca 0.00 -2.08 -0.21 0.00 -1.81 0.00 0.00 61.98 57.87 1hdf s VAL 6 Cb 0.00 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.24 1hdf s VAL 6 CO 0.00 -0.13 0.46 -0.94 -0.31 0.00 0.00 175.10 174.19 1hdf s SER 7 N -3.58 -0.38 0.35 4.85 1.04 -1.26 -5.00 113.70 109.73 1hdf s SER 7 Ca 0.33 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1hdf s SER 7 Cb 0.06 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1hdf s SER 7 CO 0.16 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1hdf n GLY 8 N 1.01 0.54 3.37 7.32 0.00 -1.26 -4.83 105.19 111.35 1hdf n GLY 8 Ca -0.20 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1hdf n GLY 8 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hdf s ASN 9 N -4.00 3.24 0.54 1.61 0.01 -1.26 -5.12 114.94 109.96 1hdf s ASN 9 Ca 0.00 -0.70 -0.21 0.00 -0.71 0.00 0.00 52.86 51.23 1hdf s ASN 9 Cb 0.00 -0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 1hdf s ASN 9 CO 0.00 0.20 1.31 -2.16 -1.51 0.00 0.00 177.10 174.94 1hdf s PRO 10 N -1.83 3.20 0.43 -0.60 0.04 -1.26 -5.05 135.00 129.93 1hdf s PRO 10 Ca 0.13 2.12 0.08 0.00 0.04 0.00 0.00 61.00 63.37 1hdf s PRO 10 Cb -0.10 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1hdf s PRO 10 CO 0.05 -1.11 0.56 0.00 0.04 0.00 0.00 177.00 176.54 1hdf s ALA 11 N -1.37 4.49 -0.07 8.56 0.00 -1.26 -4.39 121.76 127.73 1hdf s ALA 11 Ca 0.71 -1.72 -0.39 0.00 0.00 0.00 0.00 51.96 50.56 1hdf s ALA 11 Cb -0.38 -1.55 -0.18 0.00 0.00 0.00 0.00 23.12 21.02 1hdf s ALA 11 CO 0.44 -0.31 1.37 1.17 0.00 0.00 0.00 175.76 178.42 1hdf n LYS 12 N -1.85 0.69 -0.79 0.00 4.81 -1.26 -0.49 118.16 119.28 1hdf n LYS 12 Ca 0.08 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1hdf n LYS 12 Cb 0.59 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1hdf n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hdf n GLY 13 N 2.70 0.77 3.47 3.14 0.00 -1.26 -4.99 105.19 109.02 1hdf n GLY 13 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1hdf n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hdf s GLU 14 N -0.21 2.08 -0.05 1.61 2.02 0.35 -4.28 118.70 120.22 1hdf s GLU 14 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1hdf s GLU 14 Cb 0.00 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 32.05 1hdf s GLU 14 CO 0.00 0.54 -0.03 0.08 0.02 0.00 0.00 175.26 175.87 1hdf s VAL 15 N -0.96 0.45 -0.24 2.63 1.01 -0.30 -1.97 120.40 121.03 1hdf s VAL 15 Ca 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1hdf s VAL 15 Cb -0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1hdf s VAL 15 CO 0.06 0.22 0.15 -0.36 0.00 0.00 0.00 175.10 175.17 1hdf s PHE 16 N 1.13 3.27 -0.17 5.22 0.08 -0.48 -0.46 117.98 126.56 1hdf s PHE 16 Ca -0.08 0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1hdf s PHE 16 Cb -0.14 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1hdf s PHE 16 CO -0.01 -0.00 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.57 1hdf s LEU 17 N 1.17 3.23 -0.04 -0.37 1.43 0.41 -1.94 118.68 122.57 1hdf s LEU 17 Ca 0.07 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1hdf s LEU 17 Cb -0.14 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1hdf s LEU 17 CO 0.05 0.13 -0.19 -0.31 0.23 0.00 0.00 176.35 176.27 1hdf s TYR 18 N 0.58 2.56 0.29 0.29 1.51 -0.75 -0.70 117.35 121.13 1hdf s TYR 18 Ca -0.02 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1hdf s TYR 18 Cb -0.14 -1.58 0.44 0.00 -0.11 0.00 0.00 41.96 40.57 1hdf s TYR 18 CO 0.02 0.10 1.71 -0.22 -1.11 0.00 0.00 175.55 176.05 1hdf h LYS 19 N 5.41 0.36 -6.07 -0.62 3.64 -0.68 0.15 116.57 118.76 1hdf h LYS 19 Ca -0.45 -0.15 -0.55 0.00 -1.27 0.00 0.00 60.65 58.23 1hdf h LYS 19 Cb 1.14 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 1hdf h LYS 19 CO 0.49 0.65 -0.53 -1.01 -2.27 0.00 0.00 179.45 176.78 1hdf s HIS 20 N -4.32 2.69 1.07 1.91 3.76 0.03 -3.61 115.29 116.81 1hdf s HIS 20 Ca -0.06 -0.41 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1hdf s HIS 20 Cb 0.14 -1.69 0.23 0.00 1.11 0.00 0.00 32.58 32.37 1hdf s HIS 20 CO 0.78 0.31 1.07 0.14 -0.85 0.00 0.00 174.74 176.20 1hdf s VAL 21 N -2.45 1.99 -1.53 -0.90 -7.23 -1.26 -3.33 120.40 105.69 1hdf s VAL 21 Ca 0.38 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1hdf s VAL 21 Cb -0.02 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1hdf s VAL 21 CO 0.23 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.61 1hdf n ASN 22 N -4.45 -5.05 -3.09 4.85 3.02 0.32 -2.51 115.26 108.35 1hdf n ASN 22 Ca 0.04 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.49 1hdf n ASN 22 Cb 0.57 -4.26 0.05 0.00 -0.61 0.00 0.00 39.78 35.53 1hdf n ASN 22 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1hdf n PHE 23 N -3.58 -2.26 -4.05 3.10 3.72 -1.24 -5.01 117.46 108.14 1hdf n PHE 23 Ca -0.20 0.72 -0.23 0.00 -0.05 0.00 0.00 57.45 57.68 1hdf n PHE 23 Cb 0.65 -4.51 -0.06 0.00 -0.94 0.00 0.00 39.48 34.61 1hdf n PHE 23 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1hdf s GLN 24 N -5.92 2.33 0.83 -1.08 -1.52 -1.05 -5.00 119.66 108.25 1hdf s GLN 24 Ca 0.41 -1.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.16 1hdf s GLN 24 Cb -0.18 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.49 1hdf s GLN 24 CO 0.51 -0.01 0.00 0.41 -0.25 0.00 0.00 175.29 175.95 1hdf n GLY 25 N -1.23 -2.13 3.62 3.09 0.00 -1.26 -0.79 105.19 106.49 1hdf n GLY 25 Ca -0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1hdf n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hdf n ASP 26 N 0.68 1.46 -4.30 1.61 8.00 -1.26 -4.57 116.55 118.16 1hdf n ASP 26 Ca 0.00 1.08 -0.16 0.00 0.71 0.00 0.00 54.79 56.42 1hdf n ASP 26 Cb 0.00 -1.36 -0.10 0.00 -0.02 0.00 0.00 41.12 39.64 1hdf n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1hdf s SER 27 N -0.66 1.58 -0.13 -2.24 1.04 -1.26 -0.28 113.70 111.75 1hdf s SER 27 Ca 0.61 -1.22 -0.11 0.00 0.48 0.00 0.00 55.95 55.72 1hdf s SER 27 Cb -0.58 0.06 0.04 0.00 0.10 0.00 0.00 66.02 65.63 1hdf s SER 27 CO 0.58 -0.55 0.34 0.26 0.98 0.00 0.00 173.24 174.85 1hdf s TRP 28 N -3.52 -0.40 -0.22 5.02 0.51 0.12 -0.43 118.94 120.02 1hdf s TRP 28 Ca 0.28 0.95 -0.09 0.00 -2.12 0.00 0.00 56.10 55.12 1hdf s TRP 28 Cb 0.06 0.14 -0.04 0.00 -0.81 0.00 0.00 33.47 32.81 1hdf s TRP 28 CO 0.08 -0.21 0.11 0.21 -0.51 0.00 0.00 176.95 176.63 1hdf s LYS 29 N 0.48 3.99 0.03 4.98 2.20 0.98 -0.44 119.74 131.95 1hdf s LYS 29 Ca -0.02 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 1hdf s LYS 29 Cb -0.04 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1hdf s LYS 29 CO -0.02 0.13 -0.22 0.08 -0.36 0.00 0.00 175.35 174.95 1hdf s VAL 30 N 0.81 1.78 0.12 4.02 1.01 0.39 -0.93 120.40 127.60 1hdf s VAL 30 Ca 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1hdf s VAL 30 Cb -0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1hdf s VAL 30 CO 0.02 0.32 -0.00 0.42 0.00 0.00 0.00 175.10 175.86 1hdf s THR 31 N -0.72 0.43 0.00 3.92 -4.23 -0.97 -1.15 115.64 112.92 1hdf s THR 31 Ca 0.09 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1hdf s THR 31 Cb -0.09 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1hdf s THR 31 CO 0.01 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1hdf n GLY 32 N -0.09 0.75 3.56 3.99 0.00 -1.26 -2.74 105.19 109.40 1hdf n GLY 32 Ca -0.09 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1hdf n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hdf s ASN 33 N -4.00 4.19 -0.26 1.61 0.01 -1.26 -2.34 114.94 112.89 1hdf s ASN 33 Ca 0.00 -0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 51.53 1hdf s ASN 33 Cb 0.00 -0.68 0.08 0.00 0.41 0.00 0.00 41.25 41.06 1hdf s ASN 33 CO 0.00 0.11 0.07 -0.69 -1.51 0.00 0.00 177.10 175.08 1hdf s VAL 34 N -1.68 0.59 -1.36 1.60 1.01 -1.26 -4.83 120.40 114.47 1hdf s VAL 34 Ca 0.24 -0.95 0.28 0.00 0.00 0.00 0.00 61.98 61.55 1hdf s VAL 34 Cb -0.09 -1.30 0.45 0.00 0.00 0.00 0.00 36.38 35.44 1hdf s VAL 34 CO 0.15 -0.48 1.96 0.00 0.00 0.00 0.00 175.10 176.72 1hdf n TYR 35 N 4.99 0.00 -3.18 5.22 0.18 -1.26 -4.43 117.16 118.67 1hdf n TYR 35 Ca -0.06 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.74 1hdf n TYR 35 Cb 0.44 -0.32 -0.01 0.00 -0.38 0.00 0.00 39.34 39.07 1hdf n TYR 35 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1hdf s ASP 36 N -2.64 -1.19 0.00 9.48 -1.08 -1.25 0.17 116.67 120.15 1hdf s ASP 36 Ca 0.25 0.19 0.00 0.00 -0.52 0.00 0.00 52.55 52.46 1hdf s ASP 36 Cb 0.19 1.87 0.00 0.00 -1.46 0.00 0.00 42.92 43.51 1hdf s ASP 36 CO 0.44 -0.30 0.96 0.49 0.52 0.00 0.00 175.17 177.28 1hdf n PHE 37 N 5.41 0.00 0.31 -5.34 3.01 0.04 -0.85 117.46 120.04 1hdf n PHE 37 Ca 0.03 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.65 1hdf n PHE 37 Cb 0.53 -0.46 0.61 0.00 -0.01 0.00 0.00 39.48 40.14 1hdf n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hdf h ARG 38 N 0.00 0.00 0.00 -1.08 -0.00 -1.94 -2.66 114.38 108.70 1hdf h ARG 38 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1hdf h ARG 38 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1hdf h ARG 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.97 178.84 1hdf n SER 39 N -2.89 0.30 -4.14 7.04 3.41 -0.03 -4.47 113.62 112.84 1hdf n SER 39 Ca 0.01 0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 58.85 1hdf n SER 39 Cb 0.31 -0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 63.48 1hdf n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hdf s VAL 40 N -3.11 2.44 -0.08 -3.33 1.01 -1.00 -5.08 120.40 111.25 1hdf s VAL 40 Ca 0.08 -1.16 -0.37 0.00 0.00 0.00 0.00 61.98 60.52 1hdf s VAL 40 Cb 0.11 -2.23 -0.15 0.00 0.00 0.00 0.00 36.38 34.11 1hdf s VAL 40 CO 0.39 0.24 1.61 -0.24 0.00 0.00 0.00 175.10 177.10 1hdf n SER 41 N 4.59 2.36 -0.02 3.32 2.88 -1.26 -1.61 113.62 123.87 1hdf n SER 41 Ca -0.17 1.08 -0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1hdf n SER 41 Cb 0.47 -1.22 -0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1hdf n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hdf n GLY 42 N 3.56 0.32 0.14 0.46 0.00 -1.26 -4.90 105.19 103.50 1hdf n GLY 42 Ca 0.22 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1hdf n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hdf h LEU 43 N 0.00 0.47 -9.74 0.99 6.46 -1.49 -3.44 115.31 108.56 1hdf h LEU 43 Ca -0.01 -0.90 -0.56 0.00 -0.12 0.00 0.00 57.88 56.30 1hdf h LEU 43 Cb 0.42 -0.15 0.09 0.00 -0.73 0.00 0.00 40.66 40.29 1hdf h LEU 43 CO 0.01 1.75 0.73 -3.20 -0.62 0.00 0.00 178.44 177.11 1hdf n ASN 44 N -3.69 3.34 -2.85 1.25 4.05 -1.21 -3.22 115.26 112.93 1hdf n ASN 44 Ca -0.27 1.16 -0.17 0.00 0.45 0.00 0.00 54.58 55.75 1hdf n ASN 44 Cb 1.00 -1.53 -0.00 0.00 1.23 0.00 0.00 39.78 40.48 1hdf n ASN 44 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1hdf n ASP 45 N 1.79 -3.91 0.00 1.20 8.00 -1.02 -4.83 116.55 117.78 1hdf n ASP 45 Ca 0.08 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1hdf n ASP 45 Cb 0.35 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 1hdf n ASP 45 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1hdf n VAL 46 N -3.67 0.00 -1.95 2.53 0.24 -1.20 -4.14 118.33 110.15 1hdf n VAL 46 Ca -0.09 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 1hdf n VAL 46 Cb 0.58 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 1hdf n VAL 46 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hdf s VAL 47 N -0.67 2.60 0.00 3.34 1.01 -1.26 -4.49 120.40 120.93 1hdf s VAL 47 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1hdf s VAL 47 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1hdf s VAL 47 CO 0.00 0.05 0.00 -1.20 0.00 0.00 0.00 175.10 173.95 1hdf n SER 48 N 3.41 4.16 -4.00 3.32 7.64 0.03 -1.64 113.62 126.55 1hdf n SER 48 Ca 0.12 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.91 1hdf n SER 48 Cb 0.39 0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 64.21 1hdf n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hdf s SER 49 N -1.92 0.29 0.03 6.43 1.04 -1.14 -0.11 113.70 118.32 1hdf s SER 49 Ca 0.00 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1hdf s SER 49 Cb 0.00 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1hdf s SER 49 CO 0.00 -0.43 0.05 -0.69 0.98 0.00 0.00 173.24 173.16 1hdf s VAL 50 N -2.37 0.13 -0.04 5.02 1.01 -0.58 -1.81 120.40 121.76 1hdf s VAL 50 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1hdf s VAL 50 Cb -0.03 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1hdf s VAL 50 CO -0.04 -0.60 -0.01 -0.54 0.00 0.00 0.00 175.10 173.91 1hdf s LYS 51 N -2.32 0.53 -0.12 2.72 1.02 -0.82 -1.57 119.74 119.18 1hdf s LYS 51 Ca -0.08 0.02 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1hdf s LYS 51 Cb -0.03 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.58 1hdf s LYS 51 CO -0.04 -0.14 -0.15 0.08 -0.92 0.00 0.00 175.35 174.18 1hdf s VAL 52 N 1.15 2.91 1.08 3.17 1.01 0.52 -1.38 120.40 128.86 1hdf s VAL 52 Ca -0.08 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1hdf s VAL 52 Cb -0.14 -2.20 0.23 0.00 0.00 0.00 0.00 36.38 34.28 1hdf s VAL 52 CO -0.02 0.54 1.12 -0.83 0.00 0.00 0.00 175.10 175.91 1hdf s GLY 53 N 0.21 1.58 0.83 4.51 0.00 -0.83 -1.25 107.32 112.38 1hdf s GLY 53 Ca -0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 1hdf s GLY 53 CO 0.05 0.04 1.15 2.56 0.00 0.00 0.00 173.10 176.91 1hdf s PRO 54 N -5.25 1.60 -1.40 2.90 0.04 -1.26 -1.40 135.00 130.24 1hdf s PRO 54 Ca 0.68 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 1hdf s PRO 54 Cb -0.13 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.76 1hdf s PRO 54 CO 0.56 -2.19 0.51 0.09 0.04 0.00 0.00 177.00 176.01 1hdf n ASN 55 N -3.64 -2.36 -4.01 6.66 5.03 -1.26 -4.14 115.26 111.55 1hdf n ASN 55 Ca 0.12 -0.72 -0.15 0.00 0.87 0.00 0.00 54.58 54.70 1hdf n ASN 55 Cb 0.52 -2.01 -0.13 0.00 -1.02 0.00 0.00 39.78 37.13 1hdf n ASN 55 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1hdf s THR 56 N -2.97 0.51 0.08 3.41 2.01 -1.19 -2.41 115.64 115.08 1hdf s THR 56 Ca 0.58 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 62.10 1hdf s THR 56 Cb -0.33 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1hdf s THR 56 CO 0.72 -0.07 -0.25 -0.75 -0.69 0.00 0.00 174.62 173.58 1hdf s LYS 57 N -0.71 1.71 -0.04 4.92 2.47 0.12 -1.64 119.74 126.58 1hdf s LYS 57 Ca -0.02 -1.18 0.02 0.00 -1.56 0.00 0.00 55.97 53.23 1hdf s LYS 57 Cb -0.05 -1.99 0.01 0.00 -1.46 0.00 0.00 37.83 34.33 1hdf s LYS 57 CO 0.00 0.49 -0.09 0.00 0.16 0.00 0.00 175.35 175.91 1hdf s ALA 58 N -0.93 0.91 -0.23 3.13 0.00 -0.54 -1.42 121.76 122.68 1hdf s ALA 58 Ca 0.13 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1hdf s ALA 58 Cb -0.10 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1hdf s ALA 58 CO 0.04 0.12 -0.13 -0.06 0.00 0.00 0.00 175.76 175.73 1hdf s PHE 59 N 0.38 3.01 -0.17 0.00 0.40 -0.14 0.11 117.98 121.58 1hdf s PHE 59 Ca -0.06 -2.05 -0.08 0.00 -0.60 0.00 0.00 56.93 54.13 1hdf s PHE 59 Cb -0.11 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 1hdf s PHE 59 CO 0.01 -0.84 0.09 0.96 0.70 0.00 0.00 175.22 176.14 1hdf s ILE 60 N 1.19 5.04 0.03 0.64 -4.36 -1.08 -1.11 121.20 121.56 1hdf s ILE 60 Ca -0.05 0.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.46 1hdf s ILE 60 Cb -0.18 -3.26 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 1hdf s ILE 60 CO -0.07 0.49 -0.15 -0.36 0.24 0.00 0.00 174.94 175.08 1hdf s PHE 61 N 0.08 2.64 0.28 1.37 0.40 -0.58 -2.68 117.98 119.49 1hdf s PHE 61 Ca 0.07 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1hdf s PHE 61 Cb -0.12 -1.49 0.42 0.00 0.51 0.00 0.00 43.02 42.34 1hdf s PHE 61 CO 0.00 0.28 1.71 -0.22 0.70 0.00 0.00 175.22 177.70 1hdf h LYS 62 N 4.50 0.39 -5.90 0.44 3.64 -1.04 0.98 116.57 119.59 1hdf h LYS 62 Ca -0.48 -0.16 -0.57 0.00 -1.27 0.00 0.00 60.65 58.17 1hdf h LYS 62 Cb 1.16 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1hdf h LYS 62 CO 0.49 0.67 -0.42 -0.51 -2.27 0.00 0.00 179.45 177.41 1hdf s ASP 63 N -6.84 4.57 0.84 4.20 1.01 -0.81 -3.46 116.67 116.17 1hdf s ASP 63 Ca -0.06 -1.12 -0.12 0.00 0.71 0.00 0.00 52.55 51.96 1hdf s ASP 63 Cb 0.14 -0.15 0.09 0.00 1.01 0.00 0.00 42.92 44.01 1hdf s ASP 63 CO 0.78 -0.76 1.12 1.51 0.21 0.00 0.00 175.17 178.04 1hdf s ASP 64 N -4.05 4.19 -1.38 0.27 -4.77 -1.26 -3.37 116.67 106.29 1hdf s ASP 64 Ca 0.37 1.13 -0.01 0.00 -3.30 0.00 0.00 52.55 50.73 1hdf s ASP 64 Cb 0.01 -1.79 0.01 0.00 -1.09 0.00 0.00 42.92 40.06 1hdf s ASP 64 CO 0.21 -2.14 0.12 0.54 0.70 0.00 0.00 175.17 174.60 1hdf n ARG 65 N -3.52 -2.47 -3.20 2.11 1.74 0.44 -2.66 116.66 109.10 1hdf n ARG 65 Ca 0.07 0.76 -0.22 0.00 -0.77 0.00 0.00 57.85 57.69 1hdf n ARG 65 Cb 0.58 -5.42 0.05 0.00 -1.02 0.00 0.00 32.46 26.64 1hdf n ARG 65 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1hdf n PHE 66 N -3.78 -2.20 -3.94 -1.55 3.72 -1.26 -5.02 117.46 103.44 1hdf n PHE 66 Ca -0.16 0.68 -0.23 0.00 -0.05 0.00 0.00 57.45 57.69 1hdf n PHE 66 Cb 0.63 -4.49 -0.05 0.00 -0.94 0.00 0.00 39.48 34.62 1hdf n PHE 66 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1hdf s ASN 67 N -2.96 4.79 0.00 4.37 0.01 -1.09 -5.03 114.94 115.03 1hdf s ASN 67 Ca 0.39 -0.80 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1hdf s ASN 67 Cb -0.17 -0.67 0.00 0.00 0.41 0.00 0.00 41.25 40.82 1hdf s ASN 67 CO 0.49 -0.44 0.00 0.61 -1.51 0.00 0.00 177.10 176.24 1hdf n GLY 68 N -1.29 -2.26 3.69 0.66 0.00 -1.26 -1.92 105.19 102.81 1hdf n GLY 68 Ca -0.01 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 1hdf n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hdf n ASN 69 N -0.84 1.75 -3.79 1.61 5.15 -1.26 -4.59 115.26 113.30 1hdf n ASN 69 Ca 0.00 0.86 -0.07 0.00 -0.60 0.00 0.00 54.58 54.77 1hdf n ASN 69 Cb 0.00 -1.50 -0.02 0.00 -0.53 0.00 0.00 39.78 37.73 1hdf n ASN 69 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1hdf s PHE 70 N -1.40 -0.11 0.04 1.20 -0.71 -1.26 -0.77 117.98 114.96 1hdf s PHE 70 Ca 0.77 -0.36 -0.13 0.00 -1.04 0.00 0.00 56.93 56.17 1hdf s PHE 70 Cb -0.41 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1hdf s PHE 70 CO 0.45 -1.25 0.29 0.96 -1.34 0.00 0.00 175.22 174.33 1hdf s ILE 71 N -3.78 0.09 -0.08 -4.49 -4.36 -1.09 -5.01 121.20 102.47 1hdf s ILE 71 Ca 0.12 -0.71 -0.16 0.00 -0.26 0.00 0.00 60.65 59.65 1hdf s ILE 71 Cb -0.05 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.67 1hdf s ILE 71 CO 0.08 -0.39 0.41 -0.60 0.24 0.00 0.00 174.94 174.68 1hdf s ARG 72 N -2.58 4.16 -0.17 0.37 3.52 -1.26 -2.65 118.95 120.34 1hdf s ARG 72 Ca -0.05 0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1hdf s ARG 72 Cb -0.01 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1hdf s ARG 72 CO -0.04 0.38 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.30 1hdf s LEU 73 N -0.07 3.23 0.60 -0.88 1.43 0.31 -4.96 118.68 118.32 1hdf s LEU 73 Ca 0.23 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 1hdf s LEU 73 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1hdf s LEU 73 CO 0.10 0.12 1.04 -1.61 0.23 0.00 0.00 176.35 176.23 1hdf s GLU 74 N 0.66 3.43 0.70 1.70 0.41 -1.26 -1.47 118.70 122.86 1hdf s GLU 74 Ca -0.02 1.05 -0.16 0.00 -0.41 0.00 0.00 54.97 55.43 1hdf s GLU 74 Cb -0.14 -2.05 -0.01 0.00 -1.78 0.00 0.00 34.13 30.14 1hdf s GLU 74 CO 0.02 -0.71 0.87 -0.85 -0.49 0.00 0.00 175.26 174.10 1hdf n GLU 75 N -2.20 0.53 -4.18 1.61 0.00 -0.65 -2.90 120.64 112.86 1hdf n GLU 75 Ca 0.08 0.23 -0.32 0.00 0.00 0.00 0.00 57.16 57.15 1hdf n GLU 75 Cb 0.53 -2.12 -0.05 0.00 0.00 0.00 0.00 31.44 29.81 1hdf n GLU 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1hdf n SER 76 N -1.19 -1.03 -4.50 -1.84 7.64 -0.38 -4.92 113.62 107.40 1hdf n SER 76 Ca 0.13 -1.10 -0.24 0.00 1.01 0.00 0.00 58.87 58.67 1hdf n SER 76 Cb 0.49 -2.49 -0.11 0.00 -1.01 0.00 0.00 64.21 61.10 1hdf n SER 76 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hdf s SER 77 N -3.95 2.92 -0.07 6.43 1.04 -1.01 -4.94 113.70 114.12 1hdf s SER 77 Ca 0.30 -1.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.05 1hdf s SER 77 Cb -0.17 -0.16 0.07 0.00 0.10 0.00 0.00 66.02 65.86 1hdf s SER 77 CO 0.94 -0.57 0.65 0.00 0.98 0.00 0.00 173.24 175.24 1hdf s GLN 78 N -3.83 0.99 -0.16 4.02 0.00 -1.26 -0.36 119.66 119.07 1hdf s GLN 78 Ca 0.35 0.30 0.00 0.00 -0.00 0.00 0.00 55.36 56.01 1hdf s GLN 78 Cb 0.09 0.47 0.03 0.00 0.00 0.00 0.00 33.01 33.60 1hdf s GLN 78 CO 0.16 -0.29 -0.09 0.54 0.00 0.00 0.00 175.29 175.61 1hdf s VAL 79 N -1.02 1.36 -0.04 3.63 0.11 -0.61 -4.98 120.40 118.85 1hdf s VAL 79 Ca -0.10 -0.68 0.27 0.00 -2.93 0.00 0.00 61.98 58.54 1hdf s VAL 79 Cb -0.01 -1.41 0.30 0.00 -1.53 0.00 0.00 36.38 33.73 1hdf s VAL 79 CO 0.08 0.27 1.80 0.71 -3.33 0.00 0.00 175.10 174.63 1hdf h THR 80 N 6.26 0.24 -2.29 5.04 1.35 -1.87 -1.55 112.91 120.10 1hdf h THR 80 Ca -0.30 -0.96 -0.24 0.00 -0.55 0.00 0.00 66.41 64.36 1hdf h THR 80 Cb 1.12 1.79 -0.33 0.00 -1.73 0.00 0.00 68.15 68.99 1hdf h THR 80 CO 0.46 0.11 -0.56 -0.62 -0.25 0.00 0.00 175.52 174.66 1hdf s ASP 81 N -6.03 0.84 0.00 5.36 -1.08 -1.25 -0.52 116.67 113.98 1hdf s ASP 81 Ca 0.03 0.02 0.12 0.00 -0.52 0.00 0.00 52.55 52.20 1hdf s ASP 81 Cb 0.08 0.71 0.55 0.00 -1.46 0.00 0.00 42.92 42.80 1hdf s ASP 81 CO 0.62 -0.31 1.35 0.18 0.52 0.00 0.00 175.17 177.53 1hdf n LEU 82 N 5.34 0.00 0.11 -1.34 4.77 0.85 -2.20 117.00 124.53 1hdf n LEU 82 Ca -0.05 0.43 0.02 0.00 -0.03 0.00 0.00 56.01 56.38 1hdf n LEU 82 Cb 0.50 -0.43 0.37 0.00 -2.33 0.00 0.00 43.42 41.53 1hdf n LEU 82 CO 0.07 -0.25 0.87 0.71 -1.33 0.00 0.00 177.39 177.46 1hdf h THR 83 N 0.00 1.19 -0.01 -5.08 1.35 -1.87 -0.58 112.91 107.90 1hdf h THR 83 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1hdf h THR 83 Cb 0.17 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1hdf h THR 83 CO 0.00 0.27 0.07 0.00 -0.25 0.00 0.00 175.52 175.60 1hdf h THR 84 N 0.24 0.09 -0.09 6.82 1.03 -1.85 -0.18 112.91 118.97 1hdf h THR 84 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 1hdf h THR 84 Cb 0.41 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1hdf h THR 84 CO 0.02 0.00 0.00 0.54 -0.01 0.00 0.00 175.52 176.07 1hdf n ARG 85 N -3.19 2.13 -2.16 0.00 5.12 -0.52 -4.97 116.66 113.07 1hdf n ARG 85 Ca -0.03 -2.38 -0.19 0.00 -1.93 0.00 0.00 57.85 53.32 1hdf n ARG 85 Cb 0.14 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 1hdf n ARG 85 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1hdf n ASN 86 N -0.88 -5.53 -1.28 0.55 3.02 -0.08 -4.90 115.26 106.17 1hdf n ASN 86 Ca 0.14 0.11 0.02 0.00 -0.03 0.00 0.00 54.58 54.82 1hdf n ASN 86 Cb 0.60 -4.61 0.10 0.00 -0.61 0.00 0.00 39.78 35.26 1hdf n ASN 86 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hdf n LEU 87 N -2.64 2.05 -4.76 3.41 4.77 -0.34 -5.00 117.00 114.49 1hdf n LEU 87 Ca -0.22 -3.08 -0.40 0.00 -0.03 0.00 0.00 56.01 52.28 1hdf n LEU 87 Cb 0.67 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1hdf n LEU 87 CO 0.28 1.04 0.76 0.21 -1.33 0.00 0.00 177.39 178.34 1hdf s ASN 88 N -2.78 7.36 -1.48 -1.43 3.04 -1.18 -3.73 114.94 114.74 1hdf s ASN 88 Ca 0.36 2.18 -0.05 0.00 0.04 0.00 0.00 52.86 55.40 1hdf s ASN 88 Cb 0.38 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.47 1hdf s ASN 88 CO -0.10 -0.07 0.17 0.47 -3.04 0.00 0.00 177.10 174.53 1hdf n ASP 89 N 1.31 0.01 0.00 -4.21 8.00 -0.65 -4.78 116.55 116.23 1hdf n ASP 89 Ca -0.01 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1hdf n ASP 89 Cb 0.45 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 1hdf n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hdf n ALA 90 N -4.61 0.00 -1.99 2.24 0.00 -1.24 -4.54 120.51 110.36 1hdf n ALA 90 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 1hdf n ALA 90 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 1hdf n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hdf s ILE 91 N 0.00 3.05 0.00 0.00 1.01 -1.26 -4.41 121.20 119.58 1hdf s ILE 91 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.49 1hdf s ILE 91 Cb 0.00 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1hdf s ILE 91 CO 0.00 0.11 0.28 -1.20 0.00 0.00 0.00 174.94 174.14 1hdf n SER 92 N 2.85 0.55 -2.55 3.58 7.64 0.34 -2.43 113.62 123.60 1hdf n SER 92 Ca 0.08 -1.01 -0.04 0.00 1.01 0.00 0.00 58.87 58.90 1hdf n SER 92 Cb 0.42 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1hdf n SER 92 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1hdf n SER 93 N -0.01 -1.49 -3.71 6.43 3.41 -1.22 -0.78 113.62 116.26 1hdf n SER 93 Ca 0.00 -1.91 -0.12 0.00 -0.26 0.00 0.00 58.87 56.58 1hdf n SER 93 Cb 0.12 2.46 -0.12 0.00 -0.26 0.00 0.00 64.21 66.41 1hdf n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hdf s ILE 95 N -2.25 -0.11 -0.24 -1.33 1.01 -0.27 -1.53 121.20 116.49 1hdf s ILE 95 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1hdf s ILE 95 Cb -0.03 -0.48 0.03 0.00 0.01 0.00 0.00 42.46 41.98 1hdf s ILE 95 CO 0.06 0.06 -0.08 -0.69 0.00 0.00 0.00 174.94 174.29 1hdf s VAL 96 N 1.51 2.77 -0.01 2.92 1.01 -0.99 -0.96 120.40 126.64 1hdf s VAL 96 Ca -0.08 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1hdf s VAL 96 Cb -0.10 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1hdf s VAL 96 CO -0.10 0.23 -0.19 0.00 0.00 0.00 0.00 175.10 175.04 1hdf s ALA 97 N 1.32 1.58 0.38 5.51 0.00 -0.51 -4.28 121.76 125.76 1hdf s ALA 97 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1hdf s ALA 97 Cb -0.16 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 1hdf s ALA 97 CO -0.05 0.39 0.08 0.95 0.00 0.00 0.00 175.76 177.12 1hdf s THR 98 N -0.45 2.37 0.18 0.00 -4.23 -1.26 0.11 115.64 112.36 1hdf s THR 98 Ca 0.07 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 58.53 1hdf s THR 98 Cb -0.07 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.88 1hdf s THR 98 CO -0.01 -0.08 0.52 0.72 -0.54 0.00 0.00 174.62 175.24 1hdf s PHE 99 N -2.59 -0.21 -2.99 3.99 -0.12 -1.01 -4.99 117.98 110.06 1hdf s PHE 99 Ca 0.37 -0.11 0.24 0.00 -0.05 0.00 0.00 56.93 57.38 1hdf s PHE 99 Cb 0.04 0.41 0.20 0.00 -0.63 0.00 0.00 43.02 43.04 1hdf s PHE 99 CO 0.20 -0.88 1.27 -0.85 -0.05 0.00 0.00 175.22 174.91