#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 5.21 3.74 0.46 0.00 -1.26 -5.12 105.19 108.23 1oww n GLY 2 Ca 0.00 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 1oww n GLY 2 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1oww n PRO 3 N 0.00 2.36 -2.26 1.61 -0.02 -1.26 -4.92 135.00 130.51 1oww n PRO 3 Ca 0.00 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 1oww n PRO 3 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 1oww n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oww s VAL 4 N -1.14 4.43 -0.91 -1.45 1.01 -1.26 -4.94 120.40 116.14 1oww s VAL 4 Ca 0.56 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 63.51 1oww s VAL 4 Cb -0.50 -3.68 0.21 0.00 0.00 0.00 0.00 36.38 32.41 1oww s VAL 4 CO 0.61 -0.72 0.93 -1.61 0.00 0.00 0.00 175.10 174.31 1oww s GLU 5 N -4.23 3.73 -0.11 2.72 2.02 -0.70 -4.92 118.70 117.20 1oww s GLU 5 Ca 0.59 -2.45 -0.01 0.00 0.02 0.00 0.00 54.97 53.12 1oww s GLU 5 Cb -0.11 -4.58 -0.03 0.00 0.10 0.00 0.00 34.13 29.51 1oww s GLU 5 CO 0.36 -1.40 -0.07 0.54 0.02 0.00 0.00 175.26 174.70 1oww s VAL 6 N 0.51 3.63 0.32 2.63 0.11 -1.26 -1.04 120.40 125.30 1oww s VAL 6 Ca 0.24 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1oww s VAL 6 Cb -0.09 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 1oww s VAL 6 CO -0.08 0.55 0.18 0.72 -3.33 0.00 0.00 175.10 173.13 1oww s PHE 7 N -0.22 1.64 -0.19 1.54 -0.71 -0.95 -5.02 117.98 114.07 1oww s PHE 7 Ca 0.03 -1.41 -0.03 0.00 -1.04 0.00 0.00 56.93 54.48 1oww s PHE 7 Cb -0.13 -0.87 -0.01 0.00 -1.21 0.00 0.00 43.02 40.80 1oww s PHE 7 CO 0.03 -0.55 -0.08 -1.50 -1.34 0.00 0.00 175.22 171.78 1oww s ILE 8 N -3.53 3.25 0.17 -4.49 2.07 -1.26 -3.02 121.20 114.38 1oww s ILE 8 Ca 0.35 -0.55 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 1oww s ILE 8 Cb 0.04 -2.44 -0.03 0.00 0.13 0.00 0.00 42.46 40.16 1oww s ILE 8 CO 0.19 0.46 0.27 0.28 -1.91 0.00 0.00 174.94 174.23 1oww s THR 9 N 1.07 5.16 -1.47 4.00 -1.32 -1.14 -4.69 115.64 117.26 1oww s THR 9 Ca 0.00 -0.82 -0.08 0.00 -1.21 0.00 0.00 61.69 59.59 1oww s THR 9 Cb -0.15 -3.68 0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1oww s THR 9 CO -0.01 -0.14 0.85 -0.62 -2.21 0.00 0.00 174.62 172.49 1oww n GLU 10 N -0.68 -5.94 -3.78 7.08 1.02 -1.26 -4.37 120.64 112.71 1oww n GLU 10 Ca -0.08 0.81 -0.29 0.00 -0.02 0.00 0.00 57.16 57.58 1oww n GLU 10 Cb 0.55 -5.73 -0.13 0.00 -0.02 0.00 0.00 31.44 26.11 1oww n GLU 10 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oww s THR 11 N -3.22 1.91 -0.04 2.62 -4.23 -1.26 -4.85 115.64 106.56 1oww s THR 11 Ca 0.46 -3.09 0.15 0.00 -1.18 0.00 0.00 61.69 58.03 1oww s THR 11 Cb -0.21 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1oww s THR 11 CO 0.57 -0.92 1.51 1.55 -0.54 0.00 0.00 174.62 176.79 1oww h PRO 12 N 6.32 0.00 0.00 3.99 0.13 -1.98 -3.46 132.00 137.00 1oww h PRO 12 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1oww h PRO 12 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1oww h PRO 12 CO 0.57 0.51 0.00 -1.13 -0.23 0.00 0.00 178.00 177.73 1oww n SER 13 N -3.32 0.00 -3.33 1.44 3.41 -1.26 -5.15 113.62 105.41 1oww n SER 13 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 1oww n SER 13 Cb 0.69 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 1oww n SER 13 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1oww s GLN 14 N 0.00 0.38 0.15 4.33 -0.21 -1.24 -5.02 119.66 118.04 1oww s GLN 14 Ca 0.00 0.35 0.26 0.00 0.02 0.00 0.00 55.36 55.99 1oww s GLN 14 Cb 0.00 -0.40 0.66 0.00 1.00 0.00 0.00 33.01 34.26 1oww s GLN 14 CO 0.00 -0.82 1.60 -0.35 -2.12 0.00 0.00 175.29 173.61 1oww n PRO 15 N 5.36 0.24 -0.10 2.91 -0.04 -1.20 -4.31 135.00 137.85 1oww n PRO 15 Ca -0.02 0.14 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1oww n PRO 15 Cb 0.50 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 32.15 1oww n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1oww n ASN 16 N -2.10 2.20 -4.34 3.54 6.94 -1.26 -3.34 115.26 116.91 1oww n ASN 16 Ca 0.05 -0.02 -0.30 0.00 -0.02 0.00 0.00 54.58 54.29 1oww n ASN 16 Cb 0.42 -0.40 -0.15 0.00 -2.36 0.00 0.00 39.78 37.29 1oww n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1oww s SER 17 N -6.23 3.14 -0.37 0.53 1.04 -1.26 -1.60 113.70 108.96 1oww s SER 17 Ca -0.28 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1oww s SER 17 Cb 0.08 -0.29 0.13 0.00 0.10 0.00 0.00 66.02 66.04 1oww s SER 17 CO 0.45 0.26 0.19 -1.00 0.98 0.00 0.00 173.24 174.13 1oww s HIS 18 N -0.79 1.27 0.01 5.02 3.76 -0.72 -4.69 115.29 119.15 1oww s HIS 18 Ca 0.12 -1.83 -0.30 0.00 -0.15 0.00 0.00 55.06 52.89 1oww s HIS 18 Cb -0.10 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 1oww s HIS 18 CO 0.02 -0.82 1.19 -1.25 -0.85 0.00 0.00 174.74 173.03 1oww s PRO 19 N 1.04 4.40 0.07 8.40 0.04 -1.26 -2.13 135.00 145.56 1oww s PRO 19 Ca 0.15 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1oww s PRO 19 Cb -0.22 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1oww s PRO 19 CO -0.08 -0.33 0.09 0.42 0.04 0.00 0.00 177.00 177.14 1oww s ILE 20 N 1.58 4.63 0.00 0.56 -1.09 -1.02 -2.88 121.20 122.98 1oww s ILE 20 Ca 0.57 -0.71 -0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1oww s ILE 20 Cb -0.27 -3.23 -0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1oww s ILE 20 CO 0.26 0.14 0.00 -1.58 -1.23 0.00 0.00 174.94 172.53 1oww s GLN 21 N -2.37 0.10 0.15 2.79 0.74 -1.17 -1.25 119.66 118.65 1oww s GLN 21 Ca 0.30 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.55 1oww s GLN 21 Cb -0.12 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.98 1oww s GLN 21 CO 0.22 -0.02 0.01 1.67 -0.55 0.00 0.00 175.29 176.63 1oww s TRP 22 N -0.41 1.09 -0.07 1.67 -2.14 -0.98 -2.24 118.94 115.86 1oww s TRP 22 Ca -0.05 -1.06 0.01 0.00 2.66 0.00 0.00 56.10 57.66 1oww s TRP 22 Cb -0.03 -0.62 0.02 0.00 -3.10 0.00 0.00 33.47 29.74 1oww s TRP 22 CO -0.00 -0.28 -0.08 -0.80 -2.66 0.00 0.00 176.95 173.12 1oww s ASN 23 N -3.13 1.53 0.57 -2.66 -0.87 -0.21 -4.80 114.94 105.37 1oww s ASN 23 Ca 0.23 -0.23 -0.07 0.00 -1.57 0.00 0.00 52.86 51.22 1oww s ASN 23 Cb 0.06 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.25 40.60 1oww s ASN 23 CO 0.02 -0.03 0.90 0.00 -2.57 0.00 0.00 177.10 175.42 1oww s ALA 24 N 0.99 3.25 1.13 0.60 0.00 -1.26 -1.73 121.76 124.75 1oww s ALA 24 Ca -0.09 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1oww s ALA 24 Cb -0.15 -2.75 0.26 0.00 0.00 0.00 0.00 23.12 20.48 1oww s ALA 24 CO 0.00 -0.63 1.07 -2.14 0.00 0.00 0.00 175.76 174.06 1oww s PRO 25 N -4.97 -0.67 -0.10 0.00 0.02 -1.26 -4.93 135.00 123.10 1oww s PRO 25 Ca 0.52 0.38 -0.24 0.00 0.02 0.00 0.00 61.00 61.67 1oww s PRO 25 Cb -0.11 -1.62 -0.28 0.00 0.02 0.00 0.00 34.50 32.51 1oww s PRO 25 CO 0.48 -3.44 0.80 0.37 -0.33 0.00 0.00 177.00 174.88 1oww h GLN 26 N -2.40 0.16 -7.31 5.54 -0.00 -2.02 -3.46 115.11 105.62 1oww h GLN 26 Ca -0.53 -0.27 -0.48 0.00 -0.00 0.00 0.00 58.65 57.36 1oww h GLN 26 Cb 1.33 0.10 0.16 0.00 0.00 0.00 0.00 27.48 29.06 1oww h GLN 26 CO 0.48 1.13 0.23 -2.14 0.00 0.00 0.00 178.83 178.53 1oww s PRO 27 N -2.34 1.09 -1.06 -2.39 0.02 -1.26 -4.93 135.00 124.13 1oww s PRO 27 Ca -0.17 0.90 -0.17 0.00 0.02 0.00 0.00 61.00 61.58 1oww s PRO 27 Cb -0.00 -1.78 0.13 0.00 0.02 0.00 0.00 34.50 32.87 1oww s PRO 27 CO 0.76 -2.38 1.30 0.45 -0.33 0.00 0.00 177.00 176.81 1oww s SER 28 N -3.28 6.79 -0.03 2.53 0.15 -1.26 -4.54 113.70 114.06 1oww s SER 28 Ca 0.64 -2.35 0.04 0.00 0.70 0.00 0.00 55.95 54.97 1oww s SER 28 Cb -0.19 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1oww s SER 28 CO 0.58 -1.00 0.02 1.57 1.20 0.00 0.00 173.24 175.61 1oww n HIS 29 N 6.57 0.00 -4.83 3.44 -0.00 -1.26 -5.03 115.22 114.11 1oww n HIS 29 Ca 0.31 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.77 1oww n HIS 29 Cb 0.47 -0.18 -0.16 0.00 -0.00 0.00 0.00 29.99 30.12 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 -2.12 1.40 0.00 3.57 1.01 -1.26 -4.41 121.20 119.39 1oww s ILE 30 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1oww s ILE 30 Cb 0.01 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1oww s ILE 30 CO 0.16 0.40 0.00 -0.24 0.00 0.00 0.00 174.94 175.26 1oww n SER 31 N 2.97 0.00 -4.91 3.58 2.88 -0.30 -5.00 113.62 112.84 1oww n SER 31 Ca -0.17 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.11 1oww n SER 31 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1oww n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1oww s LYS 32 N 0.00 3.45 -0.01 -1.46 2.20 -1.10 -4.22 119.74 118.60 1oww s LYS 32 Ca 0.00 0.08 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1oww s LYS 32 Cb 0.00 -2.41 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1oww s LYS 32 CO 0.00 -0.21 -0.16 0.71 -0.36 0.00 0.00 175.35 175.33 1oww s TYR 33 N -2.70 1.46 -0.07 4.03 2.02 -0.98 -1.25 117.35 119.85 1oww s TYR 33 Ca 0.47 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1oww s TYR 33 Cb -0.10 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1oww s TYR 33 CO 0.43 -0.03 -0.18 0.42 -1.57 0.00 0.00 175.55 174.63 1oww s ILE 34 N -0.38 1.54 -0.17 2.71 1.01 0.12 -0.93 121.20 125.09 1oww s ILE 34 Ca 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1oww s ILE 34 Cb -0.06 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1oww s ILE 34 CO -0.01 0.44 -0.03 -0.76 0.00 0.00 0.00 174.94 174.59 1oww s LEU 35 N 0.42 3.21 0.25 2.97 1.43 -0.67 -1.11 118.68 125.18 1oww s LEU 35 Ca -0.14 -0.18 0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1oww s LEU 35 Cb -0.16 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1oww s LEU 35 CO 0.05 0.12 -0.12 -0.13 0.23 0.00 0.00 176.35 176.51 1oww s ARG 36 N 0.64 1.94 -0.19 1.70 1.81 -0.12 -0.99 118.95 123.74 1oww s ARG 36 Ca -0.02 -1.53 -0.23 0.00 -1.72 0.00 0.00 55.73 52.23 1oww s ARG 36 Cb -0.14 -1.98 0.06 0.00 -0.45 0.00 0.00 34.95 32.44 1oww s ARG 36 CO 0.02 0.37 0.61 1.67 -0.68 0.00 0.00 175.30 177.30 1oww s TRP 37 N -2.21 -0.65 -0.07 -0.53 -2.14 -0.84 -1.92 118.94 110.57 1oww s TRP 37 Ca 0.28 1.49 0.01 0.00 2.66 0.00 0.00 56.10 60.54 1oww s TRP 37 Cb -0.06 0.26 0.02 0.00 -3.10 0.00 0.00 33.47 30.58 1oww s TRP 37 CO 0.16 -0.38 -0.07 0.50 -2.66 0.00 0.00 176.95 174.51 1oww s ARG 38 N -0.03 1.22 -0.17 3.25 3.52 -0.26 -2.17 118.95 124.32 1oww s ARG 38 Ca -0.03 -0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 1oww s ARG 38 Cb -0.04 -1.23 -0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1oww s ARG 38 CO 0.03 -0.15 1.37 -1.25 -0.81 0.00 0.00 175.30 174.49 1oww s PRO 39 N 1.27 4.14 -0.95 5.12 0.05 -1.26 -1.04 135.00 142.32 1oww s PRO 39 Ca -0.04 1.70 -0.24 0.00 0.05 0.00 0.00 61.00 62.47 1oww s PRO 39 Cb -0.14 -3.84 -0.04 0.00 0.05 0.00 0.00 34.50 30.53 1oww s PRO 39 CO -0.02 -0.84 1.89 0.15 0.05 0.00 0.00 177.00 178.23 1oww s LYS 40 N 3.78 2.68 0.05 4.56 -0.14 -0.86 -4.17 119.74 125.64 1oww s LYS 40 Ca 0.60 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1oww s LYS 40 Cb -0.23 -5.12 0.00 0.00 -1.68 0.00 0.00 37.83 30.79 1oww s LYS 40 CO 0.20 -3.31 0.00 0.09 -0.76 0.00 0.00 175.35 171.56 1oww n ASN 41 N 13.41 0.02 -4.94 2.83 3.02 -1.26 -4.79 115.26 123.55 1oww n ASN 41 Ca 0.40 0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.84 1oww n ASN 41 Cb 0.47 0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.68 1oww n ASN 41 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1oww s SER 42 N -4.42 5.48 -0.50 6.41 0.01 -1.26 -5.05 113.70 114.38 1oww s SER 42 Ca 0.00 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.84 1oww s SER 42 Cb 0.00 -0.79 0.38 0.00 0.21 0.00 0.00 66.02 65.81 1oww s SER 42 CO 0.00 -0.60 1.00 1.33 0.41 0.00 0.00 173.24 175.38 1oww n VAL 43 N -1.65 2.51 0.00 3.43 0.24 -1.26 -4.90 118.33 116.70 1oww n VAL 43 Ca 0.04 -5.15 0.00 0.00 -2.04 0.00 0.00 64.34 57.19 1oww n VAL 43 Cb 0.60 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.30 0.40 3.97 7.63 0.00 -1.26 -5.10 105.19 110.53 1oww n GLY 44 Ca 0.33 0.00 -0.23 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 1.94 2.20 0.33 1.61 0.52 -1.26 -5.12 118.95 119.17 1oww s ARG 45 Ca 0.00 -0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 1oww s ARG 45 Cb 0.00 -2.38 0.02 0.00 0.52 0.00 0.00 34.95 33.12 1oww s ARG 45 CO 0.00 -1.04 0.60 1.67 0.02 0.00 0.00 175.30 176.54 1oww s TRP 46 N -2.98 0.51 0.22 -0.53 1.48 -1.26 -4.91 118.94 111.47 1oww s TRP 46 Ca 0.61 -0.94 0.09 0.00 -1.06 0.00 0.00 56.10 54.79 1oww s TRP 46 Cb -0.09 0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 32.52 1oww s TRP 46 CO 0.41 -1.26 -0.02 0.15 -4.06 0.00 0.00 176.95 172.17 1oww s LYS 47 N -3.06 2.29 0.14 3.25 1.02 -0.92 -5.03 119.74 117.44 1oww s LYS 47 Ca 0.22 -1.27 -0.13 0.00 0.02 0.00 0.00 55.97 54.81 1oww s LYS 47 Cb -0.02 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1oww s LYS 47 CO 0.14 0.41 0.36 -1.83 -0.92 0.00 0.00 175.35 173.51 1oww s GLU 48 N -3.25 1.12 0.07 1.68 4.04 -1.26 -1.99 118.70 119.12 1oww s GLU 48 Ca 0.29 -0.90 -0.06 0.00 0.04 0.00 0.00 54.97 54.33 1oww s GLU 48 Cb -0.08 0.44 -0.01 0.00 0.02 0.00 0.00 34.13 34.49 1oww s GLU 48 CO 0.19 -0.43 0.11 0.00 -1.84 0.00 0.00 175.26 173.29 1oww s ALA 49 N -3.87 0.03 -0.09 -0.84 0.00 -0.16 -5.00 121.76 111.82 1oww s ALA 49 Ca 0.08 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1oww s ALA 49 Cb 0.02 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1oww s ALA 49 CO -0.07 -0.45 -0.22 0.99 0.00 0.00 0.00 175.76 176.01 1oww s THR 50 N -3.82 1.92 -0.08 0.00 2.01 -1.26 -1.67 115.64 112.74 1oww s THR 50 Ca 0.05 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1oww s THR 50 Cb 0.06 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1oww s THR 50 CO -0.10 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.54 1oww s ILE 51 N 0.39 2.63 1.00 1.82 1.09 -0.10 -5.01 121.20 123.02 1oww s ILE 51 Ca -0.18 -0.85 -0.11 0.00 -1.10 0.00 0.00 60.65 58.40 1oww s ILE 51 Cb -0.18 -2.03 0.19 0.00 -1.06 0.00 0.00 42.46 39.39 1oww s ILE 51 CO 0.08 0.56 1.09 -2.84 -0.10 0.00 0.00 174.94 173.73 1oww s PRO 52 N -0.15 0.36 0.19 2.79 0.02 -1.26 -2.32 135.00 134.63 1oww s PRO 52 Ca -0.02 1.12 0.26 0.00 0.02 0.00 0.00 61.00 62.38 1oww s PRO 52 Cb -0.14 -1.68 0.70 0.00 0.02 0.00 0.00 34.50 33.40 1oww s PRO 52 CO 0.04 -2.95 1.67 0.41 -0.33 0.00 0.00 177.00 175.84 1oww n GLY 53 N 0.12 -1.65 0.12 0.52 0.00 -1.26 -3.10 105.19 99.94 1oww n GLY 53 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1oww n GLY 53 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1oww h HIS 54 N 0.00 0.00 -3.33 1.61 2.07 -1.92 -3.45 115.15 110.13 1oww h HIS 54 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 1oww h HIS 54 Cb 0.74 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.67 1oww h HIS 54 CO 0.00 0.55 0.01 -0.51 -3.07 0.00 0.00 177.93 174.91 1oww s LEU 55 N -6.21 4.38 0.00 6.12 1.43 -1.18 -4.95 118.68 118.27 1oww s LEU 55 Ca 0.01 1.14 0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1oww s LEU 55 Cb 0.08 -2.95 0.29 0.00 0.03 0.00 0.00 46.19 43.64 1oww s LEU 55 CO 0.77 0.03 1.23 -0.46 0.23 0.00 0.00 176.35 178.15 1oww n ASN 56 N 3.09 2.86 -3.96 2.29 0.23 -1.26 -4.78 115.26 113.74 1oww n ASN 56 Ca -0.05 -1.95 -0.09 0.00 -0.53 0.00 0.00 54.58 51.96 1oww n ASN 56 Cb 0.51 -0.22 -0.08 0.00 -2.08 0.00 0.00 39.78 37.92 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 -1.00 0.14 0.28 0.53 1.04 -1.26 -2.32 113.70 111.11 1oww s SER 57 Ca 0.23 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1oww s SER 57 Cb 0.12 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1oww s SER 57 CO 0.16 -0.79 0.26 -0.47 0.98 0.00 0.00 173.24 173.38 1oww s TYR 58 N -3.94 1.35 -0.19 5.02 5.04 -0.38 -5.00 117.35 119.25 1oww s TYR 58 Ca 0.13 -1.45 -0.03 0.00 -2.44 0.00 0.00 57.07 53.28 1oww s TYR 58 Cb 0.05 -0.52 0.06 0.00 0.35 0.00 0.00 41.96 41.90 1oww s TYR 58 CO -0.04 -0.82 0.04 0.99 -1.34 0.00 0.00 175.55 174.38 1oww s THR 59 N -3.71 0.42 0.18 4.34 2.01 -1.26 -2.43 115.64 115.19 1oww s THR 59 Ca 0.38 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1oww s THR 59 Cb 0.04 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 1oww s THR 59 CO 0.19 -0.22 0.65 -0.63 -0.69 0.00 0.00 174.62 173.92 1oww s ILE 60 N 1.90 4.67 0.10 1.82 1.01 -0.90 -4.93 121.20 124.87 1oww s ILE 60 Ca -0.00 1.15 -0.09 0.00 0.00 0.00 0.00 60.65 61.71 1oww s ILE 60 Cb -0.17 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 1oww s ILE 60 CO -0.08 0.28 0.20 -1.59 0.00 0.00 0.00 174.94 173.75 1oww s LYS 61 N -1.82 0.88 0.00 2.79 0.00 -1.26 -1.76 119.74 118.57 1oww s LYS 61 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 55.97 55.38 1oww s LYS 61 Cb -0.17 0.35 0.00 0.00 0.00 0.00 0.00 37.83 38.01 1oww s LYS 61 CO 0.20 -0.28 0.00 0.41 0.00 0.00 0.00 175.35 175.68 1oww n GLY 62 N -0.08 0.54 3.83 0.59 0.00 -0.86 -4.99 105.19 104.23 1oww n GLY 62 Ca -0.14 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.44 2.83 0.16 0.99 1.43 -0.62 -5.07 118.68 116.95 1oww s LEU 63 Ca 0.00 -1.21 0.09 0.00 -1.03 0.00 0.00 54.13 51.98 1oww s LEU 63 Cb 0.00 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1oww s LEU 63 CO 0.00 -0.87 -0.15 -0.54 0.23 0.00 0.00 176.35 175.02 1oww s LYS 64 N -4.10 1.87 0.54 1.70 1.02 -1.21 -4.56 119.74 114.99 1oww s LYS 64 Ca 0.33 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.90 1oww s LYS 64 Cb -0.00 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1oww s LYS 64 CO 0.20 0.45 1.00 -1.25 -0.92 0.00 0.00 175.35 174.82 1oww s PRO 65 N -2.53 3.84 -1.72 -1.68 0.04 -1.26 -4.44 135.00 127.26 1oww s PRO 65 Ca 0.21 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1oww s PRO 65 Cb -0.09 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1oww s PRO 65 CO 0.12 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1oww n GLY 66 N -1.71 -0.45 3.22 0.56 0.00 -0.62 -4.93 105.19 101.26 1oww n GLY 66 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1oww n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oww s VAL 67 N -2.99 1.43 -0.21 1.61 0.11 -0.94 -5.01 120.40 114.41 1oww s VAL 67 Ca 0.00 -1.31 -0.17 0.00 -2.93 0.00 0.00 61.98 57.56 1oww s VAL 67 Cb 0.00 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1oww s VAL 67 CO 0.00 -0.04 0.47 0.54 -3.33 0.00 0.00 175.10 172.74 1oww s VAL 68 N -1.06 5.14 0.07 2.04 0.11 -1.26 -2.08 120.40 123.36 1oww s VAL 68 Ca 0.04 0.85 0.01 0.00 -2.93 0.00 0.00 61.98 59.94 1oww s VAL 68 Cb -0.09 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 1oww s VAL 68 CO 0.03 0.20 0.18 -0.31 -3.33 0.00 0.00 175.10 171.86 1oww s TYR 69 N 1.58 3.43 -0.06 1.54 1.51 -0.59 -2.03 117.35 122.73 1oww s TYR 69 Ca 0.22 0.19 -0.15 0.00 -1.01 0.00 0.00 57.07 56.32 1oww s TYR 69 Cb -0.15 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1oww s TYR 69 CO 0.09 0.57 0.39 -2.00 -1.11 0.00 0.00 175.55 173.49 1oww s GLU 70 N -2.54 4.05 0.02 -0.62 2.56 -0.21 -1.91 118.70 120.05 1oww s GLU 70 Ca 0.33 0.35 0.03 0.00 0.00 0.00 0.00 54.97 55.68 1oww s GLU 70 Cb -0.13 -3.30 -0.02 0.00 2.00 0.00 0.00 34.13 32.69 1oww s GLU 70 CO 0.26 0.50 -0.09 0.20 -0.56 0.00 0.00 175.26 175.58 1oww s GLY 71 N -0.45 0.49 -0.02 -1.50 0.00 -0.93 -1.10 107.32 103.81 1oww s GLY 71 Ca 0.23 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 1oww s GLY 71 CO 0.11 -0.59 0.04 1.20 0.00 0.00 0.00 173.10 173.85 1oww s GLN 72 N -0.95 0.02 -0.43 2.90 -0.21 -0.81 -1.89 119.66 118.29 1oww s GLN 72 Ca -0.03 0.10 -0.01 0.00 0.02 0.00 0.00 55.36 55.44 1oww s GLN 72 Cb -0.07 -0.06 0.12 0.00 1.00 0.00 0.00 33.01 33.99 1oww s GLN 72 CO 0.00 -0.06 0.20 -1.17 -2.12 0.00 0.00 175.29 172.15 1oww s LEU 73 N 0.36 5.09 -0.18 2.90 2.96 -0.42 -0.94 118.68 128.44 1oww s LEU 73 Ca -0.03 -2.22 -0.17 0.00 -0.22 0.00 0.00 54.13 51.48 1oww s LEU 73 Cb -0.04 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1oww s LEU 73 CO -0.01 -0.47 0.46 -0.63 -1.32 0.00 0.00 176.35 174.38 1oww s ILE 74 N 0.85 5.16 -0.24 6.68 -1.09 -0.26 -1.62 121.20 130.69 1oww s ILE 74 Ca 0.10 0.85 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 1oww s ILE 74 Cb -0.22 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1oww s ILE 74 CO -0.05 0.24 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.34 1oww s SER 75 N 0.98 4.07 0.09 3.58 0.01 -0.26 -0.71 113.70 121.47 1oww s SER 75 Ca 0.22 -1.20 -0.21 0.00 1.31 0.00 0.00 55.95 56.08 1oww s SER 75 Cb -0.15 -1.49 -0.07 0.00 0.21 0.00 0.00 66.02 64.52 1oww s SER 75 CO 0.09 -0.15 0.61 -0.63 0.41 0.00 0.00 173.24 173.57 1oww s ILE 76 N 1.18 4.66 -0.17 1.44 -1.09 -0.38 -1.02 121.20 125.82 1oww s ILE 76 Ca -0.05 1.32 -0.08 0.00 -2.23 0.00 0.00 60.65 59.61 1oww s ILE 76 Cb -0.18 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1oww s ILE 76 CO -0.07 0.55 0.10 -1.58 -1.23 0.00 0.00 174.94 172.70 1oww s GLN 77 N -1.09 3.90 0.00 2.79 0.74 -0.75 -1.15 119.66 124.10 1oww s GLN 77 Ca 0.30 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.44 1oww s GLN 77 Cb -0.20 -3.26 -0.06 0.00 1.10 0.00 0.00 33.01 30.59 1oww s GLN 77 CO 0.21 0.40 2.08 0.94 -0.55 0.00 0.00 175.29 178.37 1oww n GLN 78 N 3.17 1.07 -0.48 1.67 7.27 -1.26 -2.59 117.38 126.23 1oww n GLN 78 Ca -0.17 -0.22 0.00 0.00 0.07 0.00 0.00 57.00 56.68 1oww n GLN 78 Cb 0.53 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 31.89 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 1.83 0.00 0.00 3.69 4.01 -1.26 -4.98 117.16 120.44 1oww n TYR 79 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1oww n TYR 79 Cb 0.52 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 3.34 3.94 2.72 0.00 -1.07 -5.04 105.19 109.08 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 -2.63 1.44 0.20 1.61 3.76 -1.23 -4.92 115.29 113.52 1oww s HIS 81 Ca 0.00 0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 1oww s HIS 81 Cb 0.00 -4.02 0.05 0.00 1.11 0.00 0.00 32.58 29.71 1oww s HIS 81 CO 0.00 -2.62 0.61 1.14 -0.85 0.00 0.00 174.74 173.02 1oww s GLN 82 N -5.82 1.43 0.19 1.40 -2.07 -1.26 -1.80 119.66 111.72 1oww s GLN 82 Ca 0.74 -0.69 0.10 0.00 -1.82 0.00 0.00 55.36 53.70 1oww s GLN 82 Cb -0.03 0.58 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1oww s GLN 82 CO 0.52 -0.63 -0.17 -2.00 -1.32 0.00 0.00 175.29 171.69 1oww s GLU 83 N -3.82 1.77 -0.05 9.60 2.56 -0.18 -4.90 118.70 123.67 1oww s GLU 83 Ca 0.05 -1.40 0.04 0.00 0.00 0.00 0.00 54.97 53.66 1oww s GLU 83 Cb -0.02 -1.99 -0.00 0.00 2.00 0.00 0.00 34.13 34.11 1oww s GLU 83 CO -0.06 0.42 -0.17 0.54 -0.56 0.00 0.00 175.26 175.43 1oww s VAL 84 N -1.67 1.43 -0.08 3.70 0.11 -1.26 -1.10 120.40 121.53 1oww s VAL 84 Ca 0.23 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 1oww s VAL 84 Cb -0.08 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1oww s VAL 84 CO 0.12 0.41 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.21 1oww s THR 85 N 0.14 1.79 0.02 5.04 2.01 -0.64 -4.54 115.64 119.46 1oww s THR 85 Ca -0.06 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1oww s THR 85 Cb -0.12 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1oww s THR 85 CO 0.03 0.50 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.73 1oww s ARG 86 N 0.24 0.96 0.25 4.92 3.52 -1.26 -1.30 118.95 126.28 1oww s ARG 86 Ca -0.13 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 1oww s ARG 86 Cb -0.16 -0.95 0.05 0.00 -1.56 0.00 0.00 34.95 32.33 1oww s ARG 86 CO 0.06 0.24 0.62 1.97 -0.81 0.00 0.00 175.30 177.38 1oww n PHE 87 N 2.24 -1.79 -4.16 5.12 1.16 -0.79 -5.02 117.46 114.21 1oww n PHE 87 Ca -0.16 -1.25 -0.10 0.00 -1.87 0.00 0.00 57.45 54.06 1oww n PHE 87 Cb 0.55 0.62 -0.10 0.00 -1.61 0.00 0.00 39.48 38.94 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 -2.57 0.99 0.14 5.98 -4.77 -1.26 -2.19 116.67 112.99 1oww s ASP 88 Ca 0.13 -1.04 -0.05 0.00 -3.30 0.00 0.00 52.55 48.29 1oww s ASP 88 Cb -0.03 0.13 -0.02 0.00 -1.09 0.00 0.00 42.92 41.90 1oww s ASP 88 CO 0.08 -0.52 0.16 0.72 0.70 0.00 0.00 175.17 176.30 1oww s PHE 89 N -3.70 0.61 -0.05 2.11 -0.12 -0.80 -4.86 117.98 111.16 1oww s PHE 89 Ca 0.13 -0.99 0.06 0.00 -0.05 0.00 0.00 56.93 56.08 1oww s PHE 89 Cb 0.06 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 1oww s PHE 89 CO -0.04 -0.60 -0.21 0.95 -0.05 0.00 0.00 175.22 175.26 1oww s THR 90 N -4.00 2.42 -0.17 -4.49 -4.23 -1.26 -1.55 115.64 102.36 1oww s THR 90 Ca 0.19 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1oww s THR 90 Cb 0.06 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1oww s THR 90 CO -0.00 0.58 -0.01 0.42 -0.54 0.00 0.00 174.62 175.06 1oww s THR 91 N -0.45 4.07 -0.00 3.99 -4.23 -0.88 -4.99 115.64 113.15 1oww s THR 91 Ca 0.05 -0.29 -0.27 0.00 -1.18 0.00 0.00 61.69 60.00 1oww s THR 91 Cb -0.12 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 70.98 1oww s THR 91 CO 0.01 0.47 0.61 0.28 -0.54 0.00 0.00 174.62 175.45 1oww s THR 92 N 0.50 0.01 -2.61 3.99 -1.32 -1.26 -1.58 115.64 113.37 1oww s THR 92 Ca -0.02 -0.09 0.27 0.00 -1.21 0.00 0.00 61.69 60.65 1oww s THR 92 Cb -0.14 -0.96 0.47 0.00 -1.51 0.00 0.00 72.50 70.36 1oww s THR 92 CO 0.02 -0.05 1.64 -1.54 -2.21 0.00 0.00 174.62 172.48