#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww n GLY 2 N 0.00 -1.33 3.78 5.00 0.00 -1.26 -4.92 105.19 106.46 1oww n GLY 2 Ca 0.00 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1oww n GLY 2 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1oww s PRO 3 N 0.00 4.02 0.44 1.61 0.02 -1.26 -4.81 135.00 135.02 1oww s PRO 3 Ca 0.00 2.55 -0.21 0.00 0.02 0.00 0.00 61.00 63.36 1oww s PRO 3 Cb 0.00 -2.91 -0.10 0.00 0.02 0.00 0.00 34.50 31.51 1oww s PRO 3 CO 0.00 -0.59 0.98 0.08 -0.33 0.00 0.00 177.00 177.13 1oww s VAL 4 N -1.14 4.21 -0.66 3.83 1.01 -1.26 -4.95 120.40 121.44 1oww s VAL 4 Ca 0.54 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 1oww s VAL 4 Cb -0.46 -3.57 0.17 0.00 0.00 0.00 0.00 36.38 32.52 1oww s VAL 4 CO 0.62 -0.28 0.56 -1.61 0.00 0.00 0.00 175.10 174.39 1oww s GLU 5 N -3.15 3.05 0.02 2.72 2.02 -0.74 -4.94 118.70 117.68 1oww s GLU 5 Ca 0.63 -2.17 0.08 0.00 0.02 0.00 0.00 54.97 53.53 1oww s GLU 5 Cb -0.11 -4.17 -0.02 0.00 0.10 0.00 0.00 34.13 29.92 1oww s GLU 5 CO 0.15 -1.26 -0.24 0.54 0.02 0.00 0.00 175.26 174.48 1oww s VAL 6 N 0.67 1.91 0.36 2.63 0.11 -1.26 -0.30 120.40 124.51 1oww s VAL 6 Ca 0.12 -1.18 -0.11 0.00 -2.93 0.00 0.00 61.98 57.89 1oww s VAL 6 Cb -0.19 -1.62 0.03 0.00 -1.53 0.00 0.00 36.38 33.07 1oww s VAL 6 CO -0.04 0.41 0.65 0.72 -3.33 0.00 0.00 175.10 173.50 1oww s PHE 7 N -0.69 0.49 -0.02 1.54 -0.12 -0.98 -5.02 117.98 113.19 1oww s PHE 7 Ca 0.10 -0.96 0.00 0.00 -0.05 0.00 0.00 56.93 56.01 1oww s PHE 7 Cb -0.09 0.43 0.02 0.00 -0.63 0.00 0.00 43.02 42.75 1oww s PHE 7 CO 0.01 -1.35 0.01 -1.50 -0.05 0.00 0.00 175.22 172.33 1oww s ILE 8 N -2.77 0.03 -0.10 -4.49 2.07 -1.26 -2.85 121.20 111.83 1oww s ILE 8 Ca 0.22 0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.58 1oww s ILE 8 Cb -0.03 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.45 1oww s ILE 8 CO 0.15 0.08 -0.13 0.42 -1.91 0.00 0.00 174.94 173.55 1oww s THR 9 N 0.74 1.28 -0.75 4.00 -4.23 -1.26 -4.87 115.64 110.55 1oww s THR 9 Ca -0.07 -0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1oww s THR 9 Cb -0.09 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 1oww s THR 9 CO -0.02 0.40 0.63 1.21 -0.54 0.00 0.00 174.62 176.30 1oww n GLU 10 N 4.24 -3.42 -3.58 3.99 2.13 -1.26 -5.04 120.64 117.71 1oww n GLU 10 Ca -0.19 0.56 -0.37 0.00 0.66 0.00 0.00 57.16 57.81 1oww n GLU 10 Cb 0.51 -4.57 -0.10 0.00 0.27 0.00 0.00 31.44 27.55 1oww n GLU 10 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1oww s THR 11 N -3.24 5.31 0.01 6.31 -1.32 -1.26 -5.00 115.64 116.45 1oww s THR 11 Ca 0.09 0.29 -0.18 0.00 -1.21 0.00 0.00 61.69 60.69 1oww s THR 11 Cb -0.01 -3.56 -0.30 0.00 -1.51 0.00 0.00 72.50 67.11 1oww s THR 11 CO 0.48 0.29 1.02 1.55 -2.21 0.00 0.00 174.62 175.75 1oww h PRO 12 N 7.77 0.49 -1.01 7.08 0.13 -2.01 -3.47 132.00 140.98 1oww h PRO 12 Ca -0.36 -0.71 0.22 0.00 -0.87 0.00 0.00 66.00 64.27 1oww h PRO 12 Cb 1.17 0.25 -0.34 0.00 0.13 0.00 0.00 31.00 32.21 1oww h PRO 12 CO 0.64 1.32 0.80 -1.54 -0.23 0.00 0.00 178.00 178.99 1oww s SER 13 N -7.23 -0.01 -0.29 1.44 1.04 -1.26 -5.08 113.70 102.31 1oww s SER 13 Ca -0.11 0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1oww s SER 13 Cb 0.04 0.93 0.18 0.00 0.10 0.00 0.00 66.02 67.27 1oww s SER 13 CO 0.89 -0.00 0.50 -1.58 0.98 0.00 0.00 173.24 174.02 1oww s GLN 14 N 0.93 0.48 0.34 4.02 2.00 -1.19 -5.04 119.66 121.21 1oww s GLN 14 Ca -0.07 0.35 0.23 0.00 -2.00 0.00 0.00 55.36 53.88 1oww s GLN 14 Cb -0.02 -0.03 0.31 0.00 0.80 0.00 0.00 33.01 34.06 1oww s GLN 14 CO -0.10 -1.02 1.47 -1.00 -0.50 0.00 0.00 175.29 174.14 1oww h PRO 15 N 8.08 0.00 0.00 1.67 0.13 -1.91 -3.37 132.00 136.60 1oww h PRO 15 Ca -0.06 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.74 1oww h PRO 15 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1oww h PRO 15 CO 0.21 0.00 -2.24 0.27 -0.23 0.00 0.00 178.00 176.01 1oww n ASN 16 N -2.85 2.30 -4.54 1.44 0.23 -1.26 -3.38 115.26 107.20 1oww n ASN 16 Ca 0.03 -0.12 -0.25 0.00 -0.53 0.00 0.00 54.58 53.71 1oww n ASN 16 Cb 0.52 -0.35 -0.09 0.00 -2.08 0.00 0.00 39.78 37.78 1oww n ASN 16 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1oww s SER 17 N -6.12 4.04 -0.41 0.53 0.01 -1.26 -1.34 113.70 109.15 1oww s SER 17 Ca -0.29 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.25 1oww s SER 17 Cb 0.08 -0.58 0.14 0.00 0.21 0.00 0.00 66.02 65.86 1oww s SER 17 CO 0.50 0.07 0.23 -2.28 0.41 0.00 0.00 173.24 172.17 1oww s HIS 18 N -1.99 1.58 -0.62 2.43 2.46 -0.31 -4.70 115.29 114.14 1oww s HIS 18 Ca 0.27 -2.17 -0.25 0.00 0.47 0.00 0.00 55.06 53.38 1oww s HIS 18 Cb -0.07 -1.58 0.04 0.00 -0.13 0.00 0.00 32.58 30.84 1oww s HIS 18 CO 0.15 -0.80 1.06 -1.25 -2.47 0.00 0.00 174.74 171.44 1oww s PRO 19 N 0.58 3.29 0.50 2.88 0.04 -1.26 -2.28 135.00 138.74 1oww s PRO 19 Ca 0.18 -0.29 0.02 0.00 0.04 0.00 0.00 61.00 60.95 1oww s PRO 19 Cb -0.24 -4.11 0.02 0.00 0.04 0.00 0.00 34.50 30.21 1oww s PRO 19 CO 0.00 -1.73 0.71 0.96 0.04 0.00 0.00 177.00 176.98 1oww s ILE 20 N 4.53 3.13 -0.01 0.56 -4.36 -0.77 -4.84 121.20 119.44 1oww s ILE 20 Ca 0.32 -0.68 -0.06 0.00 -0.26 0.00 0.00 60.65 59.97 1oww s ILE 20 Cb -0.12 -3.15 0.00 0.00 1.25 0.00 0.00 42.46 40.45 1oww s ILE 20 CO 0.17 -0.10 0.13 -1.58 0.24 0.00 0.00 174.94 173.81 1oww s GLN 21 N -4.63 0.41 0.14 0.37 0.74 -1.13 -1.96 119.66 113.60 1oww s GLN 21 Ca 0.54 -0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.72 1oww s GLN 21 Cb -0.10 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 1oww s GLN 21 CO 0.37 -0.09 -0.13 1.67 -0.55 0.00 0.00 175.29 176.56 1oww s TRP 22 N -1.08 1.38 0.09 1.67 -2.14 -0.67 -2.32 118.94 115.87 1oww s TRP 22 Ca -0.12 -0.61 0.06 0.00 2.66 0.00 0.00 56.10 58.09 1oww s TRP 22 Cb -0.06 -0.71 -0.04 0.00 -3.10 0.00 0.00 33.47 29.56 1oww s TRP 22 CO 0.01 0.15 -0.05 1.21 -2.66 0.00 0.00 176.95 175.60 1oww s ASN 23 N -2.73 4.69 0.42 -2.66 3.84 0.58 -4.76 114.94 114.33 1oww s ASN 23 Ca 0.12 -0.27 0.07 0.00 0.21 0.00 0.00 52.86 52.99 1oww s ASN 23 Cb -0.02 -1.02 -0.06 0.00 -0.55 0.00 0.00 41.25 39.60 1oww s ASN 23 CO 0.03 0.19 0.13 0.00 -2.79 0.00 0.00 177.10 174.66 1oww s ALA 24 N -1.23 3.49 1.09 1.71 0.00 -1.26 -1.80 121.76 123.77 1oww s ALA 24 Ca 0.23 -2.11 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 1oww s ALA 24 Cb -0.11 -0.21 0.24 0.00 0.00 0.00 0.00 23.12 23.04 1oww s ALA 24 CO 0.15 -0.16 1.06 -2.14 0.00 0.00 0.00 175.76 174.67 1oww s PRO 25 N -3.85 -0.35 -0.12 0.00 0.02 -1.26 -4.90 135.00 124.54 1oww s PRO 25 Ca 0.38 0.68 -0.11 0.00 0.02 0.00 0.00 61.00 61.96 1oww s PRO 25 Cb 0.06 -1.63 -0.10 0.00 0.02 0.00 0.00 34.50 32.84 1oww s PRO 25 CO 0.21 -3.30 0.28 1.96 -0.33 0.00 0.00 177.00 175.82 1oww h GLN 26 N -2.31 0.00 -7.50 5.54 4.20 -2.00 -3.47 115.11 109.57 1oww h GLN 26 Ca -0.59 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.66 1oww h GLN 26 Cb 1.33 0.00 0.13 0.00 0.30 0.00 0.00 27.48 29.24 1oww h GLN 26 CO 0.54 0.39 0.31 -1.25 -0.67 0.00 0.00 178.83 178.15 1oww s PRO 27 N -1.84 1.24 -1.06 1.46 0.04 -1.26 -4.94 135.00 128.64 1oww s PRO 27 Ca -0.08 0.29 -0.18 0.00 0.04 0.00 0.00 61.00 61.07 1oww s PRO 27 Cb -0.01 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.80 1oww s PRO 27 CO 0.27 -2.13 1.33 -1.12 0.04 0.00 0.00 177.00 175.39 1oww s SER 28 N -4.06 6.76 0.00 6.66 0.01 -1.26 -4.53 113.70 117.28 1oww s SER 28 Ca 0.64 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1oww s SER 28 Cb -0.15 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1oww s SER 28 CO 0.53 -1.05 0.00 1.57 0.41 0.00 0.00 173.24 174.70 1oww n HIS 29 N 6.85 0.00 -4.06 2.43 -0.00 -1.26 -5.02 115.22 114.15 1oww n HIS 29 Ca 0.32 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.68 1oww n HIS 29 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.38 1oww n HIS 29 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1oww s ILE 30 N -1.81 4.94 0.00 3.57 1.09 -1.26 -3.03 121.20 124.70 1oww s ILE 30 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1oww s ILE 30 Cb 0.00 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 1oww s ILE 30 CO 0.00 0.56 0.00 -0.24 -0.10 0.00 0.00 174.94 175.16 1oww n SER 31 N 2.54 0.00 -4.92 3.58 2.88 0.05 -4.79 113.62 112.96 1oww n SER 31 Ca -0.18 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.13 1oww n SER 31 Cb 0.54 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1oww s LYS 32 N 0.00 2.32 -0.01 -1.46 1.02 -1.07 -3.77 119.74 116.76 1oww s LYS 32 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.38 1oww s LYS 32 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1oww s LYS 32 CO 0.00 -0.97 -0.19 0.71 -0.92 0.00 0.00 175.35 173.98 1oww s TYR 33 N -2.96 1.67 -0.11 3.18 2.02 -0.98 -2.40 117.35 117.77 1oww s TYR 33 Ca 0.59 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.01 1oww s TYR 33 Cb -0.10 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1oww s TYR 33 CO 0.41 -0.02 -0.22 0.42 -1.57 0.00 0.00 175.55 174.57 1oww s ILE 34 N -0.46 1.96 -0.11 2.71 1.01 0.29 -1.05 121.20 125.55 1oww s ILE 34 Ca 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1oww s ILE 34 Cb -0.07 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1oww s ILE 34 CO -0.01 0.54 0.00 -0.76 0.00 0.00 0.00 174.94 174.71 1oww s LEU 35 N 0.58 3.55 0.11 2.97 1.43 -0.89 -1.27 118.68 125.16 1oww s LEU 35 Ca -0.13 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1oww s LEU 35 Cb -0.17 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1oww s LEU 35 CO 0.04 0.32 -0.11 0.00 0.23 0.00 0.00 176.35 176.83 1oww s ARG 36 N -0.53 0.93 -0.11 1.70 3.03 -0.54 -0.99 118.95 122.44 1oww s ARG 36 Ca 0.09 -1.23 -0.22 0.00 2.03 0.00 0.00 55.73 56.40 1oww s ARG 36 Cb -0.12 -0.64 0.05 0.00 -1.03 0.00 0.00 34.95 33.21 1oww s ARG 36 CO 0.02 0.10 0.53 1.67 -1.13 0.00 0.00 175.30 176.49 1oww s TRP 37 N -2.53 -0.51 -0.00 5.89 -2.14 -0.82 -1.42 118.94 117.40 1oww s TRP 37 Ca 0.08 1.05 0.02 0.00 2.66 0.00 0.00 56.10 59.91 1oww s TRP 37 Cb -0.02 0.24 -0.01 0.00 -3.10 0.00 0.00 33.47 30.58 1oww s TRP 37 CO 0.01 -0.42 -0.06 0.50 -2.66 0.00 0.00 176.95 174.33 1oww s ARG 38 N -0.60 0.44 -0.22 3.25 3.52 -0.59 -2.18 118.95 122.57 1oww s ARG 38 Ca -0.07 -0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.01 1oww s ARG 38 Cb -0.03 -0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 32.93 1oww s ARG 38 CO 0.05 0.11 1.42 -1.25 -0.81 0.00 0.00 175.30 174.82 1oww s PRO 39 N -0.22 3.97 -1.13 5.12 0.04 -1.26 -1.40 135.00 140.12 1oww s PRO 39 Ca 0.01 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.39 1oww s PRO 39 Cb -0.03 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 1oww s PRO 39 CO -0.00 -1.06 1.81 0.21 0.04 0.00 0.00 177.00 178.00 1oww s LYS 40 N 4.17 3.05 0.00 4.56 2.20 -0.73 -3.93 119.74 129.05 1oww s LYS 40 Ca 0.62 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1oww s LYS 40 Cb -0.22 -5.29 0.00 0.00 -1.51 0.00 0.00 37.83 30.81 1oww s LYS 40 CO 0.24 -3.15 0.00 0.09 -0.36 0.00 0.00 175.35 172.16 1oww n ASN 41 N 11.97 0.00 -4.99 1.43 4.13 -1.26 -4.76 115.26 121.79 1oww n ASN 41 Ca 0.43 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.49 1oww n ASN 41 Cb 0.47 0.13 0.02 0.00 -1.54 0.00 0.00 39.78 38.86 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1oww s SER 42 N -1.58 5.60 -0.46 6.41 1.04 -1.25 -5.05 113.70 118.41 1oww s SER 42 Ca 0.00 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1oww s SER 42 Cb 0.00 -0.95 0.39 0.00 0.10 0.00 0.00 66.02 65.55 1oww s SER 42 CO 0.00 -0.83 0.97 1.33 0.98 0.00 0.00 173.24 175.69 1oww n VAL 43 N -2.02 2.04 0.00 5.02 0.24 -1.26 -4.88 118.33 117.48 1oww n VAL 43 Ca 0.06 -4.85 0.00 0.00 -2.04 0.00 0.00 64.34 57.51 1oww n VAL 43 Cb 0.59 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 1oww n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oww n GLY 44 N -0.22 0.71 3.91 7.63 0.00 -1.26 -5.08 105.19 110.88 1oww n GLY 44 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 1oww n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oww s ARG 45 N 1.06 2.61 0.28 1.61 1.81 -1.26 -5.14 118.95 119.91 1oww s ARG 45 Ca 0.00 -1.46 -0.10 0.00 -1.72 0.00 0.00 55.73 52.45 1oww s ARG 45 Cb 0.00 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1oww s ARG 45 CO 0.00 -0.21 0.50 1.67 -0.68 0.00 0.00 175.30 176.57 1oww s TRP 46 N -2.44 0.55 0.19 -0.53 1.48 -1.26 -4.91 118.94 112.02 1oww s TRP 46 Ca 0.50 -0.90 0.08 0.00 -1.06 0.00 0.00 56.10 54.72 1oww s TRP 46 Cb -0.05 0.16 -0.04 0.00 -1.16 0.00 0.00 33.47 32.38 1oww s TRP 46 CO 0.29 -1.07 -0.01 0.15 -4.06 0.00 0.00 176.95 172.25 1oww s LYS 47 N -3.62 2.34 0.12 3.25 1.02 -0.93 -5.03 119.74 116.91 1oww s LYS 47 Ca 0.24 -1.19 -0.14 0.00 0.02 0.00 0.00 55.97 54.91 1oww s LYS 47 Cb -0.01 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1oww s LYS 47 CO 0.12 0.43 0.34 -1.83 -0.92 0.00 0.00 175.35 173.50 1oww s GLU 48 N -3.09 1.03 0.07 1.68 -1.05 -1.26 -1.95 118.70 114.13 1oww s GLU 48 Ca 0.28 -0.82 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 1oww s GLU 48 Cb -0.09 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1oww s GLU 48 CO 0.18 -0.39 -0.06 0.00 0.95 0.00 0.00 175.26 175.95 1oww s ALA 49 N -3.84 0.68 -0.16 -0.84 0.00 -0.16 -5.00 121.76 112.44 1oww s ALA 49 Ca 0.05 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1oww s ALA 49 Cb 0.03 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1oww s ALA 49 CO -0.10 -0.21 -0.17 0.99 0.00 0.00 0.00 175.76 176.26 1oww s THR 50 N -2.98 2.41 -0.05 0.00 2.01 -1.26 -2.09 115.64 113.68 1oww s THR 50 Ca 0.03 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1oww s THR 50 Cb 0.01 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1oww s THR 50 CO -0.05 0.52 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.55 1oww s ILE 51 N 1.01 2.27 0.95 1.82 1.01 -0.21 -5.02 121.20 123.02 1oww s ILE 51 Ca -0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1oww s ILE 51 Cb -0.15 -1.83 0.16 0.00 0.01 0.00 0.00 42.46 40.66 1oww s ILE 51 CO -0.04 0.58 1.09 -2.84 0.00 0.00 0.00 174.94 173.73 1oww s PRO 52 N -0.41 0.81 0.33 2.79 0.02 -1.26 -2.31 135.00 134.98 1oww s PRO 52 Ca 0.04 1.09 0.25 0.00 0.02 0.00 0.00 61.00 62.40 1oww s PRO 52 Cb -0.12 -1.74 0.66 0.00 0.02 0.00 0.00 34.50 33.33 1oww s PRO 52 CO 0.01 -2.62 1.72 0.78 -0.33 0.00 0.00 177.00 176.56 1oww h GLY 53 N -1.84 0.00 1.65 0.52 0.00 -1.90 -3.13 103.07 98.37 1oww h GLY 53 Ca -0.50 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1oww h GLY 53 CO 0.49 0.00 -0.69 1.12 0.00 0.00 0.00 176.54 177.47 1oww h HIS 54 N 0.00 0.00 -3.38 5.60 2.07 -1.93 -3.43 115.15 114.08 1oww h HIS 54 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 1oww h HIS 54 Cb 0.81 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.71 1oww h HIS 54 CO 0.00 0.38 0.15 -0.51 -3.07 0.00 0.00 177.93 174.88 1oww s LEU 55 N -6.14 4.19 0.00 6.12 1.43 -1.18 -4.92 118.68 118.18 1oww s LEU 55 Ca 0.02 0.97 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 1oww s LEU 55 Cb 0.08 -2.98 0.20 0.00 0.03 0.00 0.00 46.19 43.51 1oww s LEU 55 CO 0.75 -0.25 1.07 -0.46 0.23 0.00 0.00 176.35 177.70 1oww n ASN 56 N 4.74 2.44 -3.98 2.29 0.23 -1.26 -4.79 115.26 114.93 1oww n ASN 56 Ca -0.01 -1.80 -0.09 0.00 -0.53 0.00 0.00 54.58 52.16 1oww n ASN 56 Cb 0.50 -0.13 -0.10 0.00 -2.08 0.00 0.00 39.78 37.97 1oww n ASN 56 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oww s SER 57 N -0.93 0.26 0.28 0.53 1.04 -1.26 -1.66 113.70 111.97 1oww s SER 57 Ca 0.17 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1oww s SER 57 Cb 0.09 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1oww s SER 57 CO 0.13 -0.48 0.11 -0.47 0.98 0.00 0.00 173.24 173.50 1oww s TYR 58 N -2.66 1.61 -0.22 5.02 5.04 -0.83 -4.99 117.35 120.32 1oww s TYR 58 Ca -0.05 -1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 53.36 1oww s TYR 58 Cb -0.01 -0.94 0.06 0.00 0.35 0.00 0.00 41.96 41.42 1oww s TYR 58 CO -0.05 -0.34 0.02 0.99 -1.34 0.00 0.00 175.55 174.83 1oww s THR 59 N -3.65 0.84 0.16 4.34 2.01 -1.26 -1.84 115.64 116.23 1oww s THR 59 Ca 0.37 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.29 1oww s THR 59 Cb 0.07 -1.31 -0.08 0.00 0.01 0.00 0.00 72.50 71.20 1oww s THR 59 CO 0.15 -0.22 0.78 -0.63 -0.69 0.00 0.00 174.62 174.00 1oww s ILE 60 N 1.70 4.40 0.09 1.82 1.01 -0.97 -4.96 121.20 124.30 1oww s ILE 60 Ca -0.01 1.70 -0.10 0.00 0.00 0.00 0.00 60.65 62.25 1oww s ILE 60 Cb -0.18 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1oww s ILE 60 CO -0.09 0.51 0.21 -1.59 0.00 0.00 0.00 174.94 173.98 1oww s LYS 61 N -1.04 0.87 0.00 2.79 -2.85 -1.26 -1.16 119.74 117.09 1oww s LYS 61 Ca 0.36 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1oww s LYS 61 Cb -0.23 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1oww s LYS 61 CO 0.26 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.84 1oww n GLY 62 N -0.08 0.63 3.71 0.59 0.00 -0.85 -4.99 105.19 104.20 1oww n GLY 62 Ca -0.15 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1oww n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oww s LEU 63 N -2.25 2.81 -0.02 0.99 1.43 -0.45 -5.07 118.68 116.13 1oww s LEU 63 Ca 0.00 -1.33 0.06 0.00 -1.03 0.00 0.00 54.13 51.83 1oww s LEU 63 Cb 0.00 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 1oww s LEU 63 CO 0.00 -0.63 -0.20 -0.75 0.23 0.00 0.00 176.35 175.00 1oww s LYS 64 N -3.86 1.67 0.78 1.70 2.20 -1.23 -4.46 119.74 116.55 1oww s LYS 64 Ca 0.30 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 1oww s LYS 64 Cb 0.05 -1.60 0.06 0.00 -1.51 0.00 0.00 37.83 34.83 1oww s LYS 64 CO 0.16 0.42 1.09 -1.25 -0.36 0.00 0.00 175.35 175.42 1oww s PRO 65 N -0.43 2.21 -1.12 4.03 0.04 -1.22 -4.19 135.00 134.32 1oww s PRO 65 Ca 0.07 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.76 1oww s PRO 65 Cb -0.08 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1oww s PRO 65 CO -0.00 -1.54 0.97 0.41 0.04 0.00 0.00 177.00 176.87 1oww n GLY 66 N -2.07 -0.31 2.86 0.56 0.00 -0.63 -4.94 105.19 100.66 1oww n GLY 66 Ca 0.07 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1oww n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oww s VAL 67 N -3.29 0.47 -0.31 1.61 1.01 -1.18 -5.06 120.40 113.63 1oww s VAL 67 Ca 0.30 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 1oww s VAL 67 Cb -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1oww s VAL 67 CO 0.63 0.23 0.91 0.54 0.00 0.00 0.00 175.10 177.41 1oww s VAL 68 N 1.19 4.67 0.05 2.92 0.11 -1.26 -2.25 120.40 125.83 1oww s VAL 68 Ca -0.07 1.41 -0.05 0.00 -2.93 0.00 0.00 61.98 60.34 1oww s VAL 68 Cb -0.14 -4.27 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 1oww s VAL 68 CO -0.02 -0.36 0.28 -0.31 -3.33 0.00 0.00 175.10 171.37 1oww s TYR 69 N 3.26 3.54 -0.02 1.54 1.51 -0.40 -1.78 117.35 125.00 1oww s TYR 69 Ca 0.38 0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 56.82 1oww s TYR 69 Cb -0.13 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 1oww s TYR 69 CO 0.14 0.57 0.33 -1.83 -1.11 0.00 0.00 175.55 173.64 1oww s GLU 70 N -2.13 3.76 0.06 -0.62 -1.05 -0.49 -1.73 118.70 116.50 1oww s GLU 70 Ca 0.32 0.22 0.03 0.00 -0.15 0.00 0.00 54.97 55.39 1oww s GLU 70 Cb -0.13 -3.18 -0.03 0.00 -0.44 0.00 0.00 34.13 30.35 1oww s GLU 70 CO 0.21 0.70 -0.09 0.20 0.95 0.00 0.00 175.26 177.22 1oww s GLY 71 N -1.17 0.67 -0.06 -3.83 0.00 -0.91 -1.54 107.32 100.48 1oww s GLY 71 Ca 0.23 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 1oww s GLY 71 CO 0.12 -1.00 0.14 1.20 0.00 0.00 0.00 173.10 173.55 1oww s GLN 72 N -2.04 0.13 -0.33 2.90 -0.21 -0.51 -1.74 119.66 117.86 1oww s GLN 72 Ca -0.04 0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.65 1oww s GLN 72 Cb -0.07 -0.03 0.10 0.00 1.00 0.00 0.00 33.01 34.00 1oww s GLN 72 CO 0.00 -0.08 0.03 -1.17 -2.12 0.00 0.00 175.29 171.96 1oww s LEU 73 N 0.55 4.64 -0.12 2.90 2.96 -0.72 -1.47 118.68 127.41 1oww s LEU 73 Ca -0.04 -2.08 -0.16 0.00 -0.22 0.00 0.00 54.13 51.63 1oww s LEU 73 Cb -0.05 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1oww s LEU 73 CO -0.03 -0.36 0.38 -0.63 -1.32 0.00 0.00 176.35 174.40 1oww s ILE 74 N 0.92 5.23 -0.19 6.68 1.01 -0.40 -1.59 121.20 132.86 1oww s ILE 74 Ca 0.09 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 1oww s ILE 74 Cb -0.19 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1oww s ILE 74 CO -0.08 0.39 -0.00 -0.94 0.00 0.00 0.00 174.94 174.30 1oww s SER 75 N 0.34 4.86 -0.02 3.58 1.04 -0.18 -0.55 113.70 122.77 1oww s SER 75 Ca 0.21 -0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.31 1oww s SER 75 Cb -0.14 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.10 1oww s SER 75 CO 0.08 0.09 0.45 -0.63 0.98 0.00 0.00 173.24 174.20 1oww s ILE 76 N 0.85 5.03 0.27 -1.02 1.09 -1.01 -1.29 121.20 125.12 1oww s ILE 76 Ca 0.01 0.92 -0.06 0.00 -1.10 0.00 0.00 60.65 60.42 1oww s ILE 76 Cb -0.14 -3.77 -0.06 0.00 -1.06 0.00 0.00 42.46 37.43 1oww s ILE 76 CO 0.02 0.50 0.54 -1.10 -0.10 0.00 0.00 174.94 174.80 1oww s GLN 77 N -0.58 3.66 0.00 2.79 1.11 -0.51 -0.77 119.66 125.36 1oww s GLN 77 Ca 0.25 0.05 0.00 0.00 0.01 0.00 0.00 55.36 55.67 1oww s GLN 77 Cb -0.17 -2.66 0.00 0.00 -1.01 0.00 0.00 33.01 29.17 1oww s GLN 77 CO 0.13 0.25 1.10 0.94 0.01 0.00 0.00 175.29 177.72 1oww n GLN 78 N -0.72 0.88 -0.21 2.91 7.27 -1.17 -3.08 117.38 123.26 1oww n GLN 78 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1oww n GLN 78 Cb 0.53 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 32.12 1oww n GLN 78 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1oww n TYR 79 N 0.81 0.00 0.00 3.69 4.01 -1.26 -5.00 117.16 119.41 1oww n TYR 79 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1oww n TYR 79 Cb 0.44 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1oww n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oww n GLY 80 N 0.00 2.89 3.92 2.72 0.00 -1.18 -5.02 105.19 108.52 1oww n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1oww n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oww s HIS 81 N -2.11 2.29 -0.16 1.61 3.76 -1.26 -4.89 115.29 114.52 1oww s HIS 81 Ca 0.00 0.46 -0.20 0.00 -0.15 0.00 0.00 55.06 55.17 1oww s HIS 81 Cb 0.00 -3.69 0.05 0.00 1.11 0.00 0.00 32.58 30.05 1oww s HIS 81 CO 0.00 -2.09 0.53 1.14 -0.85 0.00 0.00 174.74 173.47 1oww s GLN 82 N -5.64 0.69 -0.08 1.40 -2.07 -1.26 -1.42 119.66 111.29 1oww s GLN 82 Ca 0.67 0.58 -0.01 0.00 -1.82 0.00 0.00 55.36 54.78 1oww s GLN 82 Cb -0.08 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 1oww s GLN 82 CO 0.50 -0.12 -0.02 -1.21 -1.32 0.00 0.00 175.29 173.11 1oww s GLU 83 N -0.09 2.89 -0.05 9.60 2.02 -0.41 -4.98 118.70 127.68 1oww s GLU 83 Ca -0.03 -0.47 0.05 0.00 0.02 0.00 0.00 54.97 54.55 1oww s GLU 83 Cb -0.03 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 1oww s GLU 83 CO 0.02 0.69 -0.21 0.54 0.02 0.00 0.00 175.26 176.32 1oww s VAL 84 N -0.87 2.43 -0.02 2.63 0.11 -1.26 -1.01 120.40 122.40 1oww s VAL 84 Ca 0.13 -0.95 0.06 0.00 -2.93 0.00 0.00 61.98 58.30 1oww s VAL 84 Cb -0.11 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 1oww s VAL 84 CO 0.02 0.57 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.27 1oww s THR 85 N -0.40 2.52 0.14 5.04 2.01 -0.62 -4.44 115.64 119.89 1oww s THR 85 Ca 0.04 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.14 1oww s THR 85 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1oww s THR 85 CO 0.02 0.56 -0.17 0.00 -0.69 0.00 0.00 174.62 174.33 1oww s ARG 86 N -0.75 1.16 0.22 4.92 1.04 -1.26 -1.76 118.95 122.52 1oww s ARG 86 Ca 0.11 -1.30 -0.18 0.00 -1.04 0.00 0.00 55.73 53.32 1oww s ARG 86 Cb -0.10 -1.20 0.07 0.00 -2.04 0.00 0.00 34.95 31.67 1oww s ARG 86 CO 0.00 0.25 0.90 1.97 -0.04 0.00 0.00 175.30 178.38 1oww n PHE 87 N 0.54 -1.53 -4.10 5.89 1.16 -0.71 -4.98 117.46 113.73 1oww n PHE 87 Ca -0.15 -1.30 -0.08 0.00 -1.87 0.00 0.00 57.45 54.04 1oww n PHE 87 Cb 0.56 0.64 -0.10 0.00 -1.61 0.00 0.00 39.48 38.97 1oww n PHE 87 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1oww s ASP 88 N -3.17 0.62 0.25 5.98 1.47 -1.26 -2.15 116.67 118.40 1oww s ASP 88 Ca 0.20 -0.98 -0.01 0.00 1.18 0.00 0.00 52.55 52.94 1oww s ASP 88 Cb -0.03 0.17 -0.03 0.00 -0.34 0.00 0.00 42.92 42.69 1oww s ASP 88 CO 0.07 -0.56 0.24 0.72 0.68 0.00 0.00 175.17 176.32 1oww s PHE 89 N -3.74 1.17 0.02 2.11 -0.71 -0.71 -4.90 117.98 111.23 1oww s PHE 89 Ca 0.07 -1.35 0.04 0.00 -1.04 0.00 0.00 56.93 54.66 1oww s PHE 89 Cb 0.07 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 1oww s PHE 89 CO -0.08 -0.79 -0.13 0.99 -1.34 0.00 0.00 175.22 173.86 1oww s THR 90 N -3.87 1.04 -0.14 -4.49 2.01 -1.26 -1.27 115.64 107.66 1oww s THR 90 Ca 0.36 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1oww s THR 90 Cb 0.04 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1oww s THR 90 CO 0.16 0.11 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.09 1oww s THR 91 N -0.63 2.01 0.23 -0.82 2.01 -0.95 -4.97 115.64 112.51 1oww s THR 91 Ca 0.03 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1oww s THR 91 Cb -0.07 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1oww s THR 91 CO 0.01 0.54 0.06 0.42 -0.69 0.00 0.00 174.62 174.95 1oww s THR 92 N 0.85 0.64 -2.89 -0.82 -4.23 -1.26 -1.60 115.64 106.33 1oww s THR 92 Ca -0.06 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.70 1oww s THR 92 Cb -0.15 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.51 1oww s THR 92 CO -0.02 -0.18 1.37 -1.54 -0.54 0.00 0.00 174.62 173.70