#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 -0.28 3.76 5.00 0.00 -1.26 -4.88 105.19 107.52 1oww n GLY 2 Ca 0.00 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 4.15 0.57 1.61 0.02 -1.26 -4.80 135.00 135.29 1oww s PRO 3 Ca 0.00 2.52 -0.07 0.00 0.02 0.00 0.00 61.00 63.47 1oww s PRO 3 Cb 0.00 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 1oww s PRO 3 CO 0.00 -0.56 0.91 0.08 -0.33 0.00 0.00 177.00 177.09 1oww s VAL 4 N -0.24 4.34 -0.36 3.83 1.01 -1.26 -5.04 120.40 122.68 1oww s VAL 4 Ca 0.60 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 1oww s VAL 4 Cb -0.46 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1oww s VAL 4 CO 0.50 -0.78 0.15 -1.61 0.00 0.00 0.00 175.10 173.36 1oww s GLU 5 N -4.98 2.63 0.01 2.72 2.02 -1.26 -4.97 118.70 114.86 1oww s GLU 5 Ca 0.52 -1.23 0.05 0.00 0.02 0.00 0.00 54.97 54.33 1oww s GLU 5 Cb -0.11 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1oww s GLU 5 CO 0.48 -0.73 -0.14 0.54 0.02 0.00 0.00 175.26 175.43 1oww s VAL 6 N 1.42 1.13 0.28 2.63 0.11 -1.26 -1.27 120.40 123.44 1oww s VAL 6 Ca -0.00 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.14 1oww s VAL 6 Cb -0.20 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1oww s VAL 6 CO 0.03 0.21 0.60 0.72 -3.33 0.00 0.00 175.10 173.33 1oww s PHE 7 N -0.51 0.16 -0.02 1.54 -0.71 -0.85 -5.02 117.98 112.56 1oww s PHE 7 Ca 0.04 -0.58 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1oww s PHE 7 Cb -0.06 0.43 0.01 0.00 -1.21 0.00 0.00 43.02 42.19 1oww s PHE 7 CO 0.00 -1.14 -0.05 -1.50 -1.34 0.00 0.00 175.22 171.19 1oww s ILE 8 N -3.81 0.51 -0.11 -4.49 2.07 -1.26 -2.58 121.20 111.54 1oww s ILE 8 Ca 0.18 -0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.17 1oww s ILE 8 Cb -0.03 -0.49 0.05 0.00 0.13 0.00 0.00 42.46 42.12 1oww s ILE 8 CO 0.09 0.18 0.25 -0.89 -1.91 0.00 0.00 174.94 172.66 1oww s THR 9 N 0.39 -0.10 -1.21 4.00 2.01 -1.26 -4.95 115.64 114.52 1oww s THR 9 Ca -0.05 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 1oww s THR 9 Cb -0.09 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1oww s THR 9 CO -0.00 0.07 1.05 1.21 -0.69 0.00 0.00 174.62 176.26 1oww n GLU 10 N 4.41 -7.05 -3.04 4.92 2.13 -1.26 -4.99 120.64 115.77 1oww n GLU 10 Ca -0.22 0.76 -0.41 0.00 0.66 0.00 0.00 57.16 57.95 1oww n GLU 10 Cb 0.52 -5.60 -0.05 0.00 0.27 0.00 0.00 31.44 26.59 1oww n GLU 10 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1oww s THR 11 N -3.30 4.96 -1.25 6.31 2.01 -1.26 -4.99 115.64 118.12 1oww s THR 11 Ca 0.42 1.33 -0.16 0.00 0.31 0.00 0.00 61.69 63.59 1oww s THR 11 Cb -0.19 -4.01 0.12 0.00 0.01 0.00 0.00 72.50 68.44 1oww s THR 11 CO 0.67 0.07 1.57 -2.16 -0.69 0.00 0.00 174.62 174.08 1oww s PRO 12 N 2.10 4.04 -0.11 4.92 0.04 -1.26 -4.75 135.00 139.98 1oww s PRO 12 Ca 0.31 -2.29 -0.07 0.00 0.04 0.00 0.00 61.00 59.00 1oww s PRO 12 Cb -0.16 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 29.12 1oww s PRO 12 CO 0.10 -2.00 0.14 -1.13 0.04 0.00 0.00 177.00 174.15 1oww n SER 13 N 6.97 -3.75 -3.81 6.66 3.41 -1.26 -5.04 113.62 116.80 1oww n SER 13 Ca 0.42 1.17 -0.30 0.00 -0.26 0.00 0.00 58.87 59.90 1oww n SER 13 Cb 0.44 -3.64 -0.15 0.00 -0.26 0.00 0.00 64.21 60.60 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 -0.43 0.96 0.47 4.33 -1.52 -1.26 -4.98 119.66 117.22 1oww s GLN 14 Ca -0.16 -1.10 0.26 0.00 -1.95 0.00 0.00 55.36 52.42 1oww s GLN 14 Cb 0.01 -2.27 0.81 0.00 -0.22 0.00 0.00 33.01 31.34 1oww s GLN 14 CO 0.45 -0.88 1.78 -1.35 -0.25 0.00 0.00 175.29 175.04 1oww h PRO 15 N 8.02 0.00 0.00 2.91 0.11 -1.87 -3.37 132.00 137.79 1oww h PRO 15 Ca -0.13 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.62 1oww h PRO 15 Cb 1.04 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1oww h PRO 15 CO 0.45 0.10 -2.32 0.27 -0.21 0.00 0.00 178.00 176.29 1oww n ASN 16 N -3.17 2.10 -4.68 -2.05 0.23 -1.26 -3.35 115.26 103.08 1oww n ASN 16 Ca 0.02 -0.02 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 1oww n ASN 16 Cb 0.45 -0.45 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1oww n ASN 16 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oww s SER 17 N -6.45 4.84 -0.33 0.53 1.04 -1.26 -1.45 113.70 110.62 1oww s SER 17 Ca -0.32 -0.41 -0.00 0.00 0.48 0.00 0.00 55.95 55.70 1oww s SER 17 Cb 0.09 -1.05 0.10 0.00 0.10 0.00 0.00 66.02 65.27 1oww s SER 17 CO 0.50 0.06 0.11 -2.28 0.98 0.00 0.00 173.24 172.62 1oww s HIS 18 N -1.86 1.77 -0.02 5.02 2.46 -0.51 -4.69 115.29 117.46 1oww s HIS 18 Ca 0.29 -1.84 -0.30 0.00 0.47 0.00 0.00 55.06 53.68 1oww s HIS 18 Cb -0.09 -1.75 -0.03 0.00 -0.13 0.00 0.00 32.58 30.59 1oww s HIS 18 CO 0.20 -0.87 0.98 -1.25 -2.47 0.00 0.00 174.74 171.33 1oww s PRO 19 N 1.45 4.53 0.09 2.88 0.04 -1.26 -2.10 135.00 140.63 1oww s PRO 19 Ca 0.11 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.61 1oww s PRO 19 Cb -0.18 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1oww s PRO 19 CO -0.22 -0.11 -0.08 0.42 0.04 0.00 0.00 177.00 177.06 1oww s ILE 20 N 1.23 3.52 0.04 0.56 1.09 -0.84 -4.73 121.20 122.07 1oww s ILE 20 Ca 0.51 -1.14 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 1oww s ILE 20 Cb -0.20 -2.63 -0.03 0.00 -1.06 0.00 0.00 42.46 38.54 1oww s ILE 20 CO 0.26 0.16 -0.04 -1.10 -0.10 0.00 0.00 174.94 174.11 1oww s GLN 21 N -2.10 0.47 0.09 2.79 -0.21 -1.06 -1.41 119.66 118.22 1oww s GLN 21 Ca 0.21 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.78 1oww s GLN 21 Cb -0.11 0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.87 1oww s GLN 21 CO 0.14 -0.04 -0.07 1.67 -2.12 0.00 0.00 175.29 174.87 1oww s TRP 22 N -2.14 0.84 0.46 0.91 -2.14 -0.88 -2.01 118.94 114.00 1oww s TRP 22 Ca -0.07 -0.86 0.04 0.00 2.66 0.00 0.00 56.10 57.86 1oww s TRP 22 Cb -0.05 -0.49 0.09 0.00 -3.10 0.00 0.00 33.47 29.91 1oww s TRP 22 CO -0.03 -0.15 0.64 0.09 -2.66 0.00 0.00 176.95 174.84 1oww n ASN 23 N 0.19 1.25 -3.71 -2.66 3.02 -0.39 -4.83 115.26 108.12 1oww n ASN 23 Ca -0.14 -1.96 -0.08 0.00 -0.03 0.00 0.00 54.58 52.37 1oww n ASN 23 Cb 0.60 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1oww n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oww s ALA 24 N -2.76 -0.80 0.72 5.41 0.00 -1.26 -4.55 121.76 118.51 1oww s ALA 24 Ca 0.45 -0.58 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 1oww s ALA 24 Cb -0.03 0.89 0.04 0.00 0.00 0.00 0.00 23.12 24.02 1oww s ALA 24 CO 0.29 -0.97 1.19 -2.14 0.00 0.00 0.00 175.76 174.13 1oww s PRO 25 N -3.64 2.23 -0.03 0.00 0.02 -1.26 -5.01 135.00 127.31 1oww s PRO 25 Ca 0.16 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 1oww s PRO 25 Cb -0.04 -1.85 -0.32 0.00 0.02 0.00 0.00 34.50 32.31 1oww s PRO 25 CO 0.09 -1.75 0.81 0.37 -0.33 0.00 0.00 177.00 176.19 1oww h GLN 26 N -0.28 0.39 0.00 5.54 4.15 -2.01 -3.32 115.11 119.58 1oww h GLN 26 Ca -0.47 -0.67 0.00 0.00 0.77 0.00 0.00 58.65 58.28 1oww h GLN 26 Cb 1.29 0.25 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1oww h GLN 26 CO 0.50 1.32 0.00 -2.30 -1.93 0.00 0.00 178.83 176.42 1oww n PRO 27 N -3.84 0.37 -2.15 -2.39 -0.02 -1.26 -4.89 135.00 120.82 1oww n PRO 27 Ca -0.20 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.34 1oww n PRO 27 Cb 0.99 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1oww n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1oww n SER 28 N -1.19 -4.66 0.09 2.55 2.88 -1.25 -4.99 113.62 107.06 1oww n SER 28 Ca 0.10 0.13 0.11 0.00 -1.33 0.00 0.00 58.87 57.89 1oww n SER 28 Cb 0.11 -2.97 -0.02 0.00 -0.75 0.00 0.00 64.21 60.59 1oww n SER 28 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1oww n HIS 29 N -0.79 0.89 -4.44 0.66 -0.00 -1.26 -4.92 115.22 105.35 1oww n HIS 29 Ca 0.03 0.26 -0.24 0.00 -0.00 0.00 0.00 57.72 57.77 1oww n HIS 29 Cb 0.33 -0.93 -0.13 0.00 -0.00 0.00 0.00 29.99 29.26 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 -3.37 1.63 0.00 3.57 1.01 -1.26 -4.71 121.20 118.08 1oww s ILE 30 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1oww s ILE 30 Cb 0.10 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1oww s ILE 30 CO 0.80 0.06 0.00 -1.54 0.00 0.00 0.00 174.94 174.26 1oww n SER 31 N 1.48 0.00 -4.94 3.58 3.41 -0.23 -5.00 113.62 111.92 1oww n SER 31 Ca -0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.18 1oww n SER 31 Cb 0.54 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1oww s LYS 32 N 0.00 2.64 -0.02 4.33 1.02 -1.05 -4.11 119.74 122.56 1oww s LYS 32 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.64 1oww s LYS 32 Cb 0.00 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1oww s LYS 32 CO 0.00 -0.77 -0.10 0.71 -0.92 0.00 0.00 175.35 174.27 1oww s TYR 33 N -2.92 0.91 -0.10 3.18 2.02 -0.98 -1.76 117.35 117.70 1oww s TYR 33 Ca 0.56 -0.20 0.04 0.00 -0.37 0.00 0.00 57.07 57.09 1oww s TYR 33 Cb -0.10 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 1oww s TYR 33 CO 0.42 -0.05 -0.21 0.42 -1.57 0.00 0.00 175.55 174.55 1oww s ILE 34 N -0.05 2.32 -0.16 2.71 1.01 0.21 -0.98 121.20 126.26 1oww s ILE 34 Ca 0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1oww s ILE 34 Cb -0.06 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1oww s ILE 34 CO -0.00 0.56 -0.06 -0.76 0.00 0.00 0.00 174.94 174.67 1oww s LEU 35 N 0.19 3.03 0.26 2.97 1.43 -0.84 -1.17 118.68 124.55 1oww s LEU 35 Ca -0.13 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1oww s LEU 35 Cb -0.16 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1oww s LEU 35 CO 0.07 0.13 0.15 -0.13 0.23 0.00 0.00 176.35 176.80 1oww s ARG 36 N 0.56 2.78 0.01 1.70 1.81 0.43 -0.89 118.95 125.35 1oww s ARG 36 Ca -0.04 -1.14 -0.28 0.00 -1.72 0.00 0.00 55.73 52.55 1oww s ARG 36 Cb -0.15 -2.47 0.07 0.00 -0.45 0.00 0.00 34.95 31.95 1oww s ARG 36 CO 0.03 0.39 0.63 1.67 -0.68 0.00 0.00 175.30 177.33 1oww s TRP 37 N -2.18 -0.59 0.10 -0.53 -2.14 -0.78 -2.23 118.94 110.59 1oww s TRP 37 Ca 0.33 0.84 -0.18 0.00 2.66 0.00 0.00 56.10 59.74 1oww s TRP 37 Cb -0.07 0.42 0.04 0.00 -3.10 0.00 0.00 33.47 30.76 1oww s TRP 37 CO 0.24 -0.66 0.44 -0.98 -2.66 0.00 0.00 176.95 173.33 1oww s ARG 38 N -1.92 1.05 0.06 3.25 1.70 -0.87 -2.25 118.95 119.97 1oww s ARG 38 Ca -0.08 -0.54 -0.31 0.00 -0.47 0.00 0.00 55.73 54.34 1oww s ARG 38 Cb -0.00 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.78 1oww s ARG 38 CO 0.03 -0.40 1.27 -1.25 -1.08 0.00 0.00 175.30 173.87 1oww s PRO 39 N -3.30 4.38 -1.12 3.89 0.04 -1.26 -1.58 135.00 136.05 1oww s PRO 39 Ca -0.00 1.87 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 1oww s PRO 39 Cb 0.01 -3.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.07 1oww s PRO 39 CO -0.08 -0.36 1.99 0.21 0.04 0.00 0.00 177.00 178.80 1oww s LYS 40 N 1.33 2.20 0.05 4.56 2.20 -0.80 -3.27 119.74 126.01 1oww s LYS 40 Ca 0.61 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1oww s LYS 40 Cb -0.31 -5.15 0.00 0.00 -1.51 0.00 0.00 37.83 30.86 1oww s LYS 40 CO 0.29 -4.24 0.00 -1.71 -0.36 0.00 0.00 175.35 169.33 1oww n ASN 41 N 15.56 -0.42 -4.85 1.43 2.85 -1.26 -4.94 115.26 123.63 1oww n ASN 41 Ca 0.44 0.10 -0.32 0.00 -0.11 0.00 0.00 54.58 54.69 1oww n ASN 41 Cb 0.47 0.79 -0.02 0.00 1.24 0.00 0.00 39.78 42.25 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1oww s SER 42 N -2.00 6.53 -0.00 1.20 1.04 -1.20 -4.99 113.70 114.27 1oww s SER 42 Ca 0.00 1.49 0.01 0.00 0.48 0.00 0.00 55.95 57.93 1oww s SER 42 Cb 0.00 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1oww s SER 42 CO 0.00 -0.63 0.76 1.33 0.98 0.00 0.00 173.24 175.68 1oww n VAL 43 N -1.81 0.51 0.00 5.02 0.24 -1.26 -5.01 118.33 116.02 1oww n VAL 43 Ca 0.06 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1oww n VAL 43 Cb 0.54 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.27 0.63 3.99 7.63 0.00 -1.26 -5.08 105.19 110.82 1oww n GLY 44 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 1.65 1.92 0.32 1.61 0.52 -1.26 -5.13 118.95 118.59 1oww s ARG 45 Ca 0.00 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 54.06 1oww s ARG 45 Cb 0.00 -2.39 0.03 0.00 0.52 0.00 0.00 34.95 33.12 1oww s ARG 45 CO 0.00 -1.24 0.57 -2.67 0.02 0.00 0.00 175.30 171.98 1oww n TRP 46 N -2.69 -1.83 -4.18 -0.53 4.27 -1.26 -5.02 117.44 106.21 1oww n TRP 46 Ca 0.13 -1.77 -0.25 0.00 -3.89 0.00 0.00 57.50 51.72 1oww n TRP 46 Cb 0.60 0.67 -0.07 0.00 -1.36 0.00 0.00 31.31 31.16 1oww n TRP 46 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1oww s LYS 47 N -2.33 2.59 0.16 -2.67 1.02 -0.95 -5.02 119.74 112.53 1oww s LYS 47 Ca 0.18 -1.10 -0.14 0.00 0.02 0.00 0.00 55.97 54.93 1oww s LYS 47 Cb -0.03 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1oww s LYS 47 CO 0.13 0.44 0.39 -1.83 -0.92 0.00 0.00 175.35 173.56 1oww s GLU 48 N -3.26 1.18 0.06 1.68 4.04 -1.26 -1.87 118.70 119.28 1oww s GLU 48 Ca 0.30 -0.92 -0.01 0.00 0.04 0.00 0.00 54.97 54.38 1oww s GLU 48 Cb -0.09 0.45 -0.04 0.00 0.02 0.00 0.00 34.13 34.47 1oww s GLU 48 CO 0.21 -0.47 -0.02 0.00 -1.84 0.00 0.00 175.26 173.15 1oww s ALA 49 N -3.88 0.57 -0.13 -0.84 0.00 -0.07 -4.99 121.76 112.42 1oww s ALA 49 Ca 0.09 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1oww s ALA 49 Cb 0.01 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1oww s ALA 49 CO -0.05 -0.39 -0.22 0.99 0.00 0.00 0.00 175.76 176.09 1oww s THR 50 N -3.94 1.99 -0.09 0.00 2.01 -1.26 -1.98 115.64 112.38 1oww s THR 50 Ca 0.10 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1oww s THR 50 Cb 0.08 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1oww s THR 50 CO -0.08 0.54 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.62 1oww s ILE 51 N 0.75 3.07 1.07 1.82 1.09 -0.15 -5.01 121.20 123.82 1oww s ILE 51 Ca -0.09 -0.68 -0.12 0.00 -1.10 0.00 0.00 60.65 58.65 1oww s ILE 51 Cb -0.16 -2.25 0.23 0.00 -1.06 0.00 0.00 42.46 39.22 1oww s ILE 51 CO 0.00 0.55 1.06 -2.84 -0.10 0.00 0.00 174.94 173.62 1oww s PRO 52 N -0.13 -0.15 0.42 2.79 0.02 -1.26 -2.32 135.00 134.37 1oww s PRO 52 Ca -0.01 0.86 0.26 0.00 0.02 0.00 0.00 61.00 62.13 1oww s PRO 52 Cb -0.14 -1.64 0.63 0.00 0.02 0.00 0.00 34.50 33.37 1oww s PRO 52 CO 0.03 -3.21 1.71 0.78 -0.33 0.00 0.00 177.00 175.98 1oww h GLY 53 N -2.25 0.00 1.59 0.52 0.00 -1.92 -3.12 103.07 97.89 1oww h GLY 53 Ca -0.56 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 1oww h GLY 53 CO 0.51 0.00 -1.10 1.12 0.00 0.00 0.00 176.54 177.07 1oww h HIS 54 N 0.00 0.00 -3.36 5.60 2.07 -1.92 -3.44 115.15 114.10 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 0.84 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.76 1oww h HIS 54 CO 0.00 0.79 0.03 -0.51 -3.07 0.00 0.00 177.93 175.16 1oww s LEU 55 N -6.33 4.28 0.00 6.12 1.43 -1.18 -4.94 118.68 118.05 1oww s LEU 55 Ca -0.00 1.02 0.10 0.00 -1.03 0.00 0.00 54.13 54.22 1oww s LEU 55 Cb 0.09 -2.94 0.26 0.00 0.03 0.00 0.00 46.19 43.63 1oww s LEU 55 CO 0.80 -0.11 1.18 -0.46 0.23 0.00 0.00 176.35 177.99 1oww n ASN 56 N 3.95 2.74 -4.02 2.29 0.23 -1.26 -4.69 115.26 114.49 1oww n ASN 56 Ca -0.03 -1.91 -0.08 0.00 -0.53 0.00 0.00 54.58 52.04 1oww n ASN 56 Cb 0.51 -0.19 -0.09 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.98 0.38 0.31 0.53 1.04 -1.26 -2.07 113.70 111.64 1oww s SER 57 Ca 0.21 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.74 1oww s SER 57 Cb 0.11 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1oww s SER 57 CO 0.15 -0.64 0.33 -0.47 0.98 0.00 0.00 173.24 173.59 1oww s TYR 58 N -3.91 1.32 -0.16 5.02 5.04 -0.50 -5.00 117.35 119.16 1oww s TYR 58 Ca 0.07 -1.42 -0.04 0.00 -2.44 0.00 0.00 57.07 53.23 1oww s TYR 58 Cb 0.07 -0.40 0.08 0.00 0.35 0.00 0.00 41.96 42.05 1oww s TYR 58 CO -0.10 -0.93 0.27 0.99 -1.34 0.00 0.00 175.55 174.44 1oww s THR 59 N -3.47 -0.42 0.17 4.34 2.01 -1.26 -1.98 115.64 115.02 1oww s THR 59 Ca 0.36 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 1oww s THR 59 Cb 0.02 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 1oww s THR 59 CO 0.21 0.03 0.52 -0.63 -0.69 0.00 0.00 174.62 174.06 1oww s ILE 60 N 2.42 4.93 0.15 1.82 1.01 -0.89 -4.97 121.20 125.66 1oww s ILE 60 Ca 0.03 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 1oww s ILE 60 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1oww s ILE 60 CO -0.10 0.12 0.08 -0.54 0.00 0.00 0.00 174.94 174.51 1oww s LYS 61 N -2.30 1.00 0.00 2.79 1.02 -1.26 -1.42 119.74 119.57 1oww s LYS 61 Ca 0.41 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.93 1oww s LYS 61 Cb -0.13 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1oww s LYS 61 CO 0.20 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1oww n GLY 62 N -0.14 0.48 3.64 -3.33 0.00 -0.95 -4.99 105.19 99.90 1oww n GLY 62 Ca -0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.63 2.91 0.04 0.99 1.43 -0.53 -5.07 118.68 116.82 1oww s LEU 63 Ca 0.00 -1.29 0.07 0.00 -1.03 0.00 0.00 54.13 51.88 1oww s LEU 63 Cb 0.00 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1oww s LEU 63 CO 0.00 -0.44 -0.19 -0.75 0.23 0.00 0.00 176.35 175.20 1oww s LYS 64 N -3.74 2.04 0.70 1.70 2.20 -1.24 -4.36 119.74 117.04 1oww s LYS 64 Ca 0.36 -0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 1oww s LYS 64 Cb 0.08 -2.16 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 1oww s LYS 64 CO 0.19 0.54 1.07 -1.25 -0.36 0.00 0.00 175.35 175.53 1oww s PRO 65 N -1.37 2.95 -1.70 4.03 0.04 -1.21 -4.29 135.00 133.45 1oww s PRO 65 Ca 0.14 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1oww s PRO 65 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1oww s PRO 65 CO 0.04 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1oww n GLY 66 N -2.41 0.34 3.21 0.56 0.00 -0.40 -4.88 105.19 101.61 1oww n GLY 66 Ca 0.07 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.84 1.47 -0.05 1.61 0.11 -1.16 -5.04 120.40 114.50 1oww s VAL 67 Ca 0.00 -1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 57.73 1oww s VAL 67 Cb 0.00 -1.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 1oww s VAL 67 CO 0.00 0.11 0.44 0.54 -3.33 0.00 0.00 175.10 172.86 1oww s VAL 68 N -0.85 5.08 0.11 2.04 0.11 -1.26 -2.71 120.40 122.91 1oww s VAL 68 Ca 0.05 0.89 0.09 0.00 -2.93 0.00 0.00 61.98 60.09 1oww s VAL 68 Cb -0.09 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1oww s VAL 68 CO 0.02 0.47 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.76 1oww s TYR 69 N -0.37 2.51 -0.06 1.54 1.51 -0.32 -1.90 117.35 120.26 1oww s TYR 69 Ca 0.24 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.92 1oww s TYR 69 Cb -0.16 -1.35 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1oww s TYR 69 CO 0.12 0.36 0.27 -1.83 -1.11 0.00 0.00 175.55 173.36 1oww s GLU 70 N -2.03 3.68 0.09 -0.62 -1.05 -0.61 -1.69 118.70 116.47 1oww s GLU 70 Ca 0.17 0.14 0.04 0.00 -0.15 0.00 0.00 54.97 55.16 1oww s GLU 70 Cb -0.10 -3.21 -0.03 0.00 -0.44 0.00 0.00 34.13 30.34 1oww s GLU 70 CO 0.09 0.73 -0.11 0.20 0.95 0.00 0.00 175.26 177.12 1oww s GLY 71 N -1.04 0.84 -0.10 -3.83 0.00 -0.90 -2.05 107.32 100.23 1oww s GLY 71 Ca 0.19 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 1oww s GLY 71 CO 0.09 -1.20 0.25 1.62 0.00 0.00 0.00 173.10 173.86 1oww s GLN 72 N -2.54 0.26 -0.38 2.90 0.74 -0.95 -1.99 119.66 117.70 1oww s GLN 72 Ca 0.03 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 55.88 1oww s GLN 72 Cb -0.05 0.03 0.10 0.00 1.10 0.00 0.00 33.01 34.20 1oww s GLN 72 CO 0.01 -0.09 0.14 -1.17 -0.55 0.00 0.00 175.29 173.62 1oww s LEU 73 N 0.63 5.00 -0.18 3.68 2.96 -0.14 -0.43 118.68 130.20 1oww s LEU 73 Ca -0.04 -2.04 -0.17 0.00 -0.22 0.00 0.00 54.13 51.66 1oww s LEU 73 Cb -0.05 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1oww s LEU 73 CO -0.04 -0.47 0.44 -0.63 -1.32 0.00 0.00 176.35 174.34 1oww s ILE 74 N 1.06 5.18 -0.26 6.68 1.01 -0.31 -1.56 121.20 132.99 1oww s ILE 74 Ca 0.08 0.82 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1oww s ILE 74 Cb -0.21 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1oww s ILE 74 CO -0.05 0.26 -0.08 -0.44 0.00 0.00 0.00 174.94 174.63 1oww s SER 75 N 0.92 4.46 0.11 3.58 0.01 -0.17 -0.62 113.70 122.00 1oww s SER 75 Ca 0.22 -1.25 -0.14 0.00 1.31 0.00 0.00 55.95 56.09 1oww s SER 75 Cb -0.15 -1.60 -0.07 0.00 0.21 0.00 0.00 66.02 64.41 1oww s SER 75 CO 0.09 -0.19 0.51 -0.63 0.41 0.00 0.00 173.24 173.43 1oww s ILE 76 N 1.18 4.91 -0.36 1.44 -1.09 -0.73 -1.00 121.20 125.56 1oww s ILE 76 Ca -0.06 0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 59.10 1oww s ILE 76 Cb -0.19 -3.73 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1oww s ILE 76 CO -0.04 0.31 0.13 -1.58 -1.23 0.00 0.00 174.94 172.53 1oww s GLN 77 N -1.78 2.46 0.30 2.79 0.74 -0.78 -1.06 119.66 122.33 1oww s GLN 77 Ca 0.35 -1.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.10 1oww s GLN 77 Cb -0.15 -3.48 -0.10 0.00 1.10 0.00 0.00 33.01 30.37 1oww s GLN 77 CO 0.18 -0.78 1.32 1.14 -0.55 0.00 0.00 175.29 176.60 1oww s GLN 78 N 1.33 4.36 -1.02 1.67 -2.07 -1.26 -2.43 119.66 120.23 1oww s GLN 78 Ca 0.00 2.20 -0.01 0.00 -1.82 0.00 0.00 55.36 55.73 1oww s GLN 78 Cb -0.21 -3.10 0.00 0.00 -1.09 0.00 0.00 33.01 28.62 1oww s GLN 78 CO 0.01 -0.22 0.15 0.66 -1.32 0.00 0.00 175.29 174.57 1oww n TYR 79 N 1.30 -0.84 0.00 9.60 4.01 -1.26 -4.82 117.16 125.15 1oww n TYR 79 Ca 0.02 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1oww n TYR 79 Cb 0.42 -2.93 0.00 0.00 -0.31 0.00 0.00 39.34 36.52 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 -1.10 -0.36 3.45 2.72 0.00 -1.02 -5.17 105.19 103.72 1oww n GLY 80 Ca -0.12 0.59 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 1oww n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oww n HIS 81 N 0.00 -3.72 -3.65 1.61 8.25 -1.14 -4.89 115.22 111.68 1oww n HIS 81 Ca 0.00 -1.20 -0.15 0.00 -0.26 0.00 0.00 57.72 56.11 1oww n HIS 81 Cb 0.00 -0.84 -0.08 0.00 1.12 0.00 0.00 29.99 30.19 1oww n HIS 81 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1oww s GLN 82 N -5.38 0.82 0.19 -0.41 -2.07 -1.26 -1.87 119.66 109.69 1oww s GLN 82 Ca 0.65 0.11 0.07 0.00 -1.82 0.00 0.00 55.36 54.37 1oww s GLN 82 Cb -0.02 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 1oww s GLN 82 CO 0.45 -0.23 0.04 -1.21 -1.32 0.00 0.00 175.29 173.02 1oww s GLU 83 N -1.07 2.52 -0.01 9.60 8.01 -0.17 -4.96 118.70 132.61 1oww s GLU 83 Ca -0.11 -1.11 0.03 0.00 0.01 0.00 0.00 54.97 53.80 1oww s GLU 83 Cb -0.03 -2.40 -0.01 0.00 -4.31 0.00 0.00 34.13 27.39 1oww s GLU 83 CO 0.06 0.44 -0.11 0.54 0.01 0.00 0.00 175.26 176.21 1oww s VAL 84 N -1.85 0.87 -0.08 2.63 0.11 -1.26 -0.99 120.40 119.83 1oww s VAL 84 Ca 0.29 -0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1oww s VAL 84 Cb -0.09 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1oww s VAL 84 CO 0.20 0.25 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.30 1oww s THR 85 N -0.18 0.63 0.04 5.04 2.01 -0.60 -4.36 115.64 118.22 1oww s THR 85 Ca 0.03 -0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.04 1oww s THR 85 Cb -0.05 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1oww s THR 85 CO -0.00 0.29 -0.26 -0.60 -0.69 0.00 0.00 174.62 173.36 1oww s ARG 86 N 1.59 1.84 0.37 4.92 3.52 -1.26 -0.97 118.95 128.96 1oww s ARG 86 Ca 0.00 -1.09 -0.09 0.00 -0.13 0.00 0.00 55.73 54.42 1oww s ARG 86 Cb -0.13 -2.00 0.04 0.00 -1.56 0.00 0.00 34.95 31.30 1oww s ARG 86 CO -0.04 0.52 0.65 1.97 -0.81 0.00 0.00 175.30 177.58 1oww n PHE 87 N 1.80 -1.95 -4.07 5.12 -1.74 -0.84 -5.02 117.46 110.76 1oww n PHE 87 Ca -0.17 -2.04 -0.09 0.00 -0.56 0.00 0.00 57.45 54.59 1oww n PHE 87 Cb 0.52 0.75 -0.10 0.00 1.52 0.00 0.00 39.48 42.16 1oww n PHE 87 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 1oww s ASP 88 N -3.08 0.58 0.24 5.98 -4.77 -1.26 -2.12 116.67 112.24 1oww s ASP 88 Ca 0.21 -0.82 -0.02 0.00 -3.30 0.00 0.00 52.55 48.62 1oww s ASP 88 Cb -0.03 0.14 -0.03 0.00 -1.09 0.00 0.00 42.92 41.91 1oww s ASP 88 CO 0.16 -0.45 0.23 0.72 0.70 0.00 0.00 175.17 176.52 1oww s PHE 89 N -2.95 1.09 0.04 2.11 -0.71 -0.68 -4.90 117.98 111.98 1oww s PHE 89 Ca 0.00 -1.30 0.09 0.00 -1.04 0.00 0.00 56.93 54.68 1oww s PHE 89 Cb 0.01 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 1oww s PHE 89 CO -0.06 -0.77 -0.26 0.95 -1.34 0.00 0.00 175.22 173.75 1oww s THR 90 N -3.97 2.09 -0.19 -4.49 -4.23 -1.26 -1.17 115.64 102.43 1oww s THR 90 Ca 0.36 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1oww s THR 90 Cb 0.05 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 1oww s THR 90 CO 0.14 0.38 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.69 1oww s THR 91 N -0.78 3.87 0.26 3.99 2.01 -1.10 -4.99 115.64 118.90 1oww s THR 91 Ca 0.11 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1oww s THR 91 Cb -0.10 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1oww s THR 91 CO 0.02 0.45 0.34 0.28 -0.69 0.00 0.00 174.62 175.02 1oww s THR 92 N 0.82 0.00 -2.14 -0.82 -1.32 -1.26 -1.27 115.64 109.65 1oww s THR 92 Ca -0.00 -1.70 0.31 0.00 -1.21 0.00 0.00 61.69 59.09 1oww s THR 92 Cb -0.14 -2.42 0.81 0.00 -1.51 0.00 0.00 72.50 69.23 1oww s THR 92 CO 0.02 0.00 2.09 -1.20 -2.21 0.00 0.00 174.62 173.32