#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww s GLY 2 N 0.00 -0.08 0.39 0.46 0.00 -1.26 -5.12 107.32 101.71 1oww s GLY 2 Ca 0.00 2.31 -0.26 0.00 0.00 0.00 0.00 44.72 46.77 1oww s GLY 2 CO 0.00 0.88 1.32 -4.14 0.00 0.00 0.00 173.10 171.15 1oww s PRO 3 N -1.54 4.02 0.53 2.90 0.02 -1.26 -4.89 135.00 134.78 1oww s PRO 3 Ca 0.09 2.19 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 1oww s PRO 3 Cb -0.01 -2.81 -0.07 0.00 0.02 0.00 0.00 34.50 31.63 1oww s PRO 3 CO -0.05 -0.46 1.01 0.08 -0.33 0.00 0.00 177.00 177.24 1oww s VAL 4 N -1.24 4.31 -0.45 3.83 1.01 -1.26 -5.04 120.40 121.57 1oww s VAL 4 Ca 0.56 1.12 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 1oww s VAL 4 Cb -0.39 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.49 1oww s VAL 4 CO 0.50 -0.62 0.29 -1.61 0.00 0.00 0.00 175.10 173.66 1oww s GLU 5 N -4.04 2.29 -0.00 2.72 0.41 -1.26 -4.95 118.70 113.86 1oww s GLU 5 Ca 0.60 -1.80 0.08 0.00 -0.41 0.00 0.00 54.97 53.44 1oww s GLU 5 Cb -0.12 -3.79 -0.02 0.00 -1.78 0.00 0.00 34.13 28.42 1oww s GLU 5 CO 0.32 -1.15 -0.25 0.54 -0.49 0.00 0.00 175.26 174.24 1oww s VAL 6 N 1.26 2.21 0.10 2.63 0.11 -1.26 -0.98 120.40 124.46 1oww s VAL 6 Ca 0.07 -1.14 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 1oww s VAL 6 Cb -0.25 -1.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.77 1oww s VAL 6 CO -0.02 0.52 0.09 0.72 -3.33 0.00 0.00 175.10 173.08 1oww s PHE 7 N -0.68 0.51 0.30 1.54 -0.71 -1.03 -5.02 117.98 112.88 1oww s PHE 7 Ca 0.11 -0.96 -0.00 0.00 -1.04 0.00 0.00 56.93 55.04 1oww s PHE 7 Cb -0.10 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 1oww s PHE 7 CO 0.00 -0.51 0.50 0.96 -1.34 0.00 0.00 175.22 174.84 1oww s ILE 8 N -3.95 5.13 0.00 -4.49 -4.36 -1.26 -3.38 121.20 108.88 1oww s ILE 8 Ca 0.13 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1oww s ILE 8 Cb 0.06 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 39.96 1oww s ILE 8 CO -0.06 -0.42 0.00 0.35 0.24 0.00 0.00 174.94 175.05 1oww n THR 9 N -1.37 0.00 0.88 8.37 -2.24 -1.26 -4.95 114.28 113.70 1oww n THR 9 Ca -0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 1oww n THR 9 Cb 0.55 -1.95 0.24 0.00 -2.10 0.00 0.00 70.33 67.07 1oww n THR 9 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1oww n GLU 10 N -0.96 0.08 -3.79 -0.78 0.28 -1.26 -4.58 120.64 109.63 1oww n GLU 10 Ca 0.00 0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.67 1oww n GLU 10 Cb 0.00 -1.55 -0.11 0.00 1.43 0.00 0.00 31.44 31.21 1oww n GLU 10 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1oww s THR 11 N -3.05 3.30 -1.07 3.84 -1.32 -1.26 -4.88 115.64 111.21 1oww s THR 11 Ca 0.10 -2.59 0.29 0.00 -1.21 0.00 0.00 61.69 58.27 1oww s THR 11 Cb 0.16 -3.23 0.26 0.00 -1.51 0.00 0.00 72.50 68.18 1oww s THR 11 CO 0.70 -0.77 1.90 -0.81 -2.21 0.00 0.00 174.62 173.42 1oww n PRO 12 N 3.94 0.07 -3.01 7.08 -0.04 -1.26 -4.48 135.00 137.30 1oww n PRO 12 Ca 0.03 -0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.05 1oww n PRO 12 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1oww n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1oww n SER 13 N -1.46 5.53 -3.22 3.54 7.64 -1.26 -3.69 113.62 120.69 1oww n SER 13 Ca 0.08 -3.10 -0.02 0.00 1.01 0.00 0.00 58.87 56.84 1oww n SER 13 Cb 0.33 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 1oww n SER 13 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1oww s GLN 14 N -0.41 0.51 0.21 1.43 -0.21 -1.20 -4.99 119.66 114.98 1oww s GLN 14 Ca 0.36 0.30 0.25 0.00 0.02 0.00 0.00 55.36 56.29 1oww s GLN 14 Cb -0.02 -0.02 0.89 0.00 1.00 0.00 0.00 33.01 34.86 1oww s GLN 14 CO -0.01 -1.05 1.76 -2.30 -2.12 0.00 0.00 175.29 171.57 1oww n PRO 15 N 5.32 0.22 -0.12 2.91 -0.02 -1.24 -3.96 135.00 138.11 1oww n PRO 15 Ca 0.03 0.26 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 1oww n PRO 15 Cb 0.52 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 1oww n PRO 15 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1oww n ASN 16 N -2.18 1.96 -4.69 2.55 0.23 -1.26 -3.72 115.26 108.14 1oww n ASN 16 Ca 0.05 0.10 -0.24 0.00 -0.53 0.00 0.00 54.58 53.96 1oww n ASN 16 Cb 0.36 -0.56 -0.07 0.00 -2.08 0.00 0.00 39.78 37.43 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 -6.76 4.82 -0.33 0.53 0.01 -1.25 -1.49 113.70 109.22 1oww s SER 17 Ca -0.33 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.47 1oww s SER 17 Cb 0.11 -1.01 0.15 0.00 0.21 0.00 0.00 66.02 65.47 1oww s SER 17 CO 0.48 0.02 0.36 -2.28 0.41 0.00 0.00 173.24 172.23 1oww s HIS 18 N -2.08 -0.51 0.15 2.43 2.46 -0.77 -4.64 115.29 112.33 1oww s HIS 18 Ca 0.30 -0.37 -0.30 0.00 0.47 0.00 0.00 55.06 55.17 1oww s HIS 18 Cb -0.08 -0.37 -0.07 0.00 -0.13 0.00 0.00 32.58 31.93 1oww s HIS 18 CO 0.20 -0.96 1.14 -1.25 -2.47 0.00 0.00 174.74 171.41 1oww s PRO 19 N 1.98 4.53 0.39 2.88 0.04 -1.26 -2.16 135.00 141.40 1oww s PRO 19 Ca 0.13 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.01 1oww s PRO 19 Cb -0.14 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1oww s PRO 19 CO -0.19 -0.04 0.09 0.96 0.04 0.00 0.00 177.00 177.85 1oww s ILE 20 N 0.13 2.33 -0.04 0.56 -4.36 -0.91 -4.18 121.20 114.73 1oww s ILE 20 Ca 0.52 -1.86 -0.13 0.00 -0.26 0.00 0.00 60.65 58.93 1oww s ILE 20 Cb -0.30 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.50 1oww s ILE 20 CO 0.34 -0.06 0.29 -1.58 0.24 0.00 0.00 174.94 174.17 1oww s GLN 21 N -3.80 0.58 0.16 0.37 0.74 -1.22 -2.21 119.66 114.29 1oww s GLN 21 Ca 0.38 -0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.76 1oww s GLN 21 Cb 0.04 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 1oww s GLN 21 CO 0.20 -0.14 -0.09 1.67 -0.55 0.00 0.00 175.29 176.38 1oww s TRP 22 N -0.99 1.32 0.56 1.67 -2.14 -0.70 -2.46 118.94 116.19 1oww s TRP 22 Ca -0.11 -0.79 0.08 0.00 2.66 0.00 0.00 56.10 57.95 1oww s TRP 22 Cb -0.05 -0.69 0.08 0.00 -3.10 0.00 0.00 33.47 29.71 1oww s TRP 22 CO 0.03 0.06 0.64 0.09 -2.66 0.00 0.00 176.95 175.12 1oww n ASN 23 N -0.24 2.36 -3.59 -2.66 3.02 -0.15 -4.78 115.26 109.23 1oww n ASN 23 Ca -0.09 -2.67 -0.09 0.00 -0.03 0.00 0.00 54.58 51.70 1oww n ASN 23 Cb 0.61 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.73 -0.72 0.90 5.41 0.00 -1.26 -4.30 121.76 119.05 1oww s ALA 24 Ca 0.49 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 1oww s ALA 24 Cb -0.04 0.87 0.13 0.00 0.00 0.00 0.00 23.12 24.09 1oww s ALA 24 CO 0.31 -0.97 1.12 -2.14 0.00 0.00 0.00 175.76 174.08 1oww s PRO 25 N -3.43 1.21 -0.08 0.00 0.02 -1.26 -5.01 135.00 126.44 1oww s PRO 25 Ca 0.16 1.31 -0.20 0.00 0.02 0.00 0.00 61.00 62.29 1oww s PRO 25 Cb -0.04 -1.77 -0.29 0.00 0.02 0.00 0.00 34.50 32.42 1oww s PRO 25 CO 0.10 -2.42 0.72 0.37 -0.33 0.00 0.00 177.00 175.44 1oww h GLN 26 N -1.71 0.24 0.00 5.54 5.75 -2.03 -3.35 115.11 119.55 1oww h GLN 26 Ca -0.45 -0.40 0.00 0.00 -0.15 0.00 0.00 58.65 57.64 1oww h GLN 26 Cb 1.27 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1oww h GLN 26 CO 0.46 1.19 0.00 -1.35 -2.65 0.00 0.00 178.83 176.49 1oww h PRO 27 N -0.44 0.00 -4.60 -2.39 0.11 -2.02 -3.47 132.00 119.19 1oww h PRO 27 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1oww h PRO 27 Cb 1.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.72 1oww h PRO 27 CO 0.09 0.00 -0.10 0.45 -0.21 0.00 0.00 178.00 178.22 1oww n SER 28 N -2.38 -6.00 -0.55 -2.05 2.88 -1.26 -4.96 113.62 99.30 1oww n SER 28 Ca 0.02 0.08 0.12 0.00 -1.33 0.00 0.00 58.87 57.76 1oww n SER 28 Cb 0.26 -3.97 0.12 0.00 -0.75 0.00 0.00 64.21 59.87 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 -1.17 0.00 -4.27 0.66 -0.00 -1.26 -4.89 115.22 104.29 1oww n HIS 29 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.40 1oww n HIS 29 Cb 0.44 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 30.32 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 -2.35 4.44 0.00 3.57 1.01 -1.26 -3.30 121.20 123.31 1oww s ILE 30 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1oww s ILE 30 Cb 0.19 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1oww s ILE 30 CO 0.49 0.56 0.00 -1.54 0.00 0.00 0.00 174.94 174.45 1oww n SER 31 N 2.59 0.00 -4.94 3.58 3.41 -0.12 -4.85 113.62 113.29 1oww n SER 31 Ca -0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.19 1oww n SER 31 Cb 0.53 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 2.68 -0.05 4.33 1.02 -1.07 -3.75 119.74 122.90 1oww s LYS 32 Ca 0.00 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1oww s LYS 32 Cb 0.00 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1oww s LYS 32 CO 0.00 -0.72 -0.15 0.71 -0.92 0.00 0.00 175.35 174.26 1oww s TYR 33 N -2.88 1.63 -0.11 3.18 2.02 -0.97 -2.35 117.35 117.87 1oww s TYR 33 Ca 0.55 -0.53 -0.03 0.00 -0.37 0.00 0.00 57.07 56.70 1oww s TYR 33 Cb -0.10 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1oww s TYR 33 CO 0.41 -0.22 -0.01 0.42 -1.57 0.00 0.00 175.55 174.58 1oww s ILE 34 N 0.28 4.17 -0.04 2.71 1.09 0.17 -1.02 121.20 128.56 1oww s ILE 34 Ca -0.09 -0.28 0.07 0.00 -1.10 0.00 0.00 60.65 59.25 1oww s ILE 34 Cb -0.13 -2.78 -0.01 0.00 -1.06 0.00 0.00 42.46 38.47 1oww s ILE 34 CO 0.03 0.56 -0.25 -0.22 -0.10 0.00 0.00 174.94 174.96 1oww s LEU 35 N -0.41 2.09 0.09 2.97 2.96 -0.94 -1.29 118.68 124.15 1oww s LEU 35 Ca 0.07 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1oww s LEU 35 Cb -0.12 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1oww s LEU 35 CO 0.02 0.27 -0.09 0.00 -1.32 0.00 0.00 176.35 175.23 1oww s ARG 36 N -0.34 0.80 -0.17 1.98 1.70 -0.59 -1.14 118.95 121.19 1oww s ARG 36 Ca 0.02 -1.13 -0.15 0.00 -0.47 0.00 0.00 55.73 54.00 1oww s ARG 36 Cb -0.12 -0.44 0.05 0.00 -0.57 0.00 0.00 34.95 33.86 1oww s ARG 36 CO 0.02 0.06 0.46 1.67 -1.08 0.00 0.00 175.30 176.42 1oww s TRP 37 N -2.48 -0.51 -0.04 5.89 -2.14 -0.59 -1.78 118.94 117.29 1oww s TRP 37 Ca 0.04 1.24 -0.08 0.00 2.66 0.00 0.00 56.10 59.96 1oww s TRP 37 Cb -0.03 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.54 1oww s TRP 37 CO -0.01 -0.25 0.19 0.50 -2.66 0.00 0.00 176.95 174.73 1oww s ARG 38 N 0.34 0.39 0.03 3.25 3.52 -0.52 -1.84 118.95 124.13 1oww s ARG 38 Ca -0.01 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1oww s ARG 38 Cb -0.04 0.17 -0.08 0.00 -1.56 0.00 0.00 34.95 33.45 1oww s ARG 38 CO -0.01 -0.08 1.72 -2.14 -0.81 0.00 0.00 175.30 173.99 1oww s PRO 39 N -0.64 4.18 -1.07 5.12 0.02 -1.26 -0.95 135.00 140.40 1oww s PRO 39 Ca -0.07 2.36 -0.21 0.00 0.02 0.00 0.00 61.00 63.10 1oww s PRO 39 Cb -0.04 -3.80 -0.09 0.00 0.02 0.00 0.00 34.50 30.59 1oww s PRO 39 CO 0.01 -0.81 1.93 1.17 -0.33 0.00 0.00 177.00 178.97 1oww n LYS 40 N 6.37 1.84 0.00 5.54 4.81 -0.69 -3.70 118.16 132.33 1oww n LYS 40 Ca 0.17 -2.35 0.00 0.00 -0.87 0.00 0.00 58.31 55.26 1oww n LYS 40 Cb 0.41 -3.38 0.00 0.00 0.02 0.00 0.00 35.03 32.08 1oww n LYS 40 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1oww n ASN 41 N 10.58 0.00 -4.96 3.14 4.13 -1.26 -4.83 115.26 122.05 1oww n ASN 41 Ca 0.48 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.52 1oww n ASN 41 Cb 0.44 0.15 -0.01 0.00 -1.54 0.00 0.00 39.78 38.81 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 -0.47 6.22 -0.57 6.41 1.04 -1.24 -5.04 113.70 120.05 1oww s SER 42 Ca 0.00 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1oww s SER 42 Cb 0.00 -1.81 0.39 0.00 0.10 0.00 0.00 66.02 64.70 1oww s SER 42 CO 0.00 -0.25 1.27 1.33 0.98 0.00 0.00 173.24 176.56 1oww n VAL 43 N -1.63 2.95 0.00 5.02 0.24 -1.26 -4.77 118.33 118.88 1oww n VAL 43 Ca -0.05 -5.04 0.00 0.00 -2.04 0.00 0.00 64.34 57.20 1oww n VAL 43 Cb 0.57 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.41 1.16 3.87 7.63 0.00 -1.26 -5.06 105.19 111.12 1oww n GLY 44 Ca 0.40 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 2.03 3.76 0.24 1.61 0.52 -1.26 -5.08 118.95 120.77 1oww s ARG 45 Ca 0.00 0.52 0.07 0.00 -0.52 0.00 0.00 55.73 55.79 1oww s ARG 45 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 1oww s ARG 45 CO 0.00 -0.13 0.21 -1.58 0.02 0.00 0.00 175.30 173.82 1oww s TRP 46 N -2.51 3.15 0.09 -0.53 0.52 -1.26 -4.89 118.94 113.51 1oww s TRP 46 Ca 0.52 -0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.54 1oww s TRP 46 Cb -0.10 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1oww s TRP 46 CO 0.35 0.51 0.26 0.15 0.02 0.00 0.00 176.95 178.24 1oww s LYS 47 N -3.76 3.49 0.09 4.98 1.02 -0.76 -5.00 119.74 119.80 1oww s LYS 47 Ca 0.33 -0.35 -0.16 0.00 0.02 0.00 0.00 55.97 55.80 1oww s LYS 47 Cb -0.08 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.28 1oww s LYS 47 CO 0.25 0.56 0.39 -1.83 -0.92 0.00 0.00 175.35 173.81 1oww s GLU 48 N -2.60 1.00 0.14 1.68 1.03 -1.26 -1.54 118.70 117.15 1oww s GLU 48 Ca 0.37 -0.58 -0.02 0.00 0.03 0.00 0.00 54.97 54.76 1oww s GLU 48 Cb -0.13 0.44 -0.04 0.00 -0.80 0.00 0.00 34.13 33.61 1oww s GLU 48 CO 0.27 -0.37 0.09 0.00 -1.33 0.00 0.00 175.26 173.92 1oww s ALA 49 N -3.28 0.79 -0.11 -0.84 0.00 -0.29 -5.00 121.76 113.02 1oww s ALA 49 Ca -0.00 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.56 1oww s ALA 49 Cb 0.01 0.92 0.01 0.00 0.00 0.00 0.00 23.12 24.06 1oww s ALA 49 CO -0.08 -0.52 -0.21 0.99 0.00 0.00 0.00 175.76 175.94 1oww s THR 50 N -4.05 1.89 -0.09 0.00 2.01 -1.26 -2.21 115.64 111.92 1oww s THR 50 Ca 0.25 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1oww s THR 50 Cb 0.07 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1oww s THR 50 CO 0.03 0.52 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.69 1oww s ILE 51 N 0.67 2.91 1.01 1.82 1.09 -0.19 -5.01 121.20 123.49 1oww s ILE 51 Ca -0.12 -0.74 -0.12 0.00 -1.10 0.00 0.00 60.65 58.57 1oww s ILE 51 Cb -0.16 -2.17 0.20 0.00 -1.06 0.00 0.00 42.46 39.26 1oww s ILE 51 CO 0.02 0.56 1.08 -2.84 -0.10 0.00 0.00 174.94 173.66 1oww s PRO 52 N -0.12 0.32 0.49 2.79 0.02 -1.26 -2.30 135.00 134.95 1oww s PRO 52 Ca -0.02 0.95 0.29 0.00 0.02 0.00 0.00 61.00 62.24 1oww s PRO 52 Cb -0.14 -1.69 0.94 0.00 0.02 0.00 0.00 34.50 33.63 1oww s PRO 52 CO 0.04 -2.92 1.83 0.78 -0.33 0.00 0.00 177.00 176.39 1oww h GLY 53 N -2.05 0.00 1.64 0.52 0.00 -1.91 -3.06 103.07 98.21 1oww h GLY 53 Ca -0.53 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 1oww h GLY 53 CO 0.51 0.00 -0.99 1.12 0.00 0.00 0.00 176.54 177.18 1oww h HIS 54 N 0.00 0.00 -3.38 5.60 2.07 -1.92 -3.44 115.15 114.08 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 0.73 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.63 1oww h HIS 54 CO 0.00 0.71 0.08 -0.51 -3.07 0.00 0.00 177.93 175.14 1oww s LEU 55 N -6.32 4.21 0.00 6.12 1.43 -1.16 -4.94 118.68 118.03 1oww s LEU 55 Ca 0.01 0.94 0.13 0.00 -1.03 0.00 0.00 54.13 54.18 1oww s LEU 55 Cb 0.08 -2.93 0.33 0.00 0.03 0.00 0.00 46.19 43.70 1oww s LEU 55 CO 0.79 -0.19 1.24 -0.46 0.23 0.00 0.00 176.35 177.96 1oww n ASN 56 N 4.50 2.95 -4.13 2.29 6.94 -1.26 -4.69 115.26 121.87 1oww n ASN 56 Ca -0.02 -1.92 -0.11 0.00 -0.02 0.00 0.00 54.58 52.51 1oww n ASN 56 Cb 0.50 -0.23 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 1oww n ASN 56 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1oww s SER 57 N -1.02 0.15 0.29 0.53 1.04 -1.26 -1.72 113.70 111.69 1oww s SER 57 Ca 0.26 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 55.53 1oww s SER 57 Cb 0.14 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1oww s SER 57 CO 0.19 -0.86 0.22 -0.47 0.98 0.00 0.00 173.24 173.30 1oww s TYR 58 N -4.08 1.55 -0.14 5.02 5.04 -0.94 -4.99 117.35 118.80 1oww s TYR 58 Ca 0.30 -1.55 -0.04 0.00 -2.44 0.00 0.00 57.07 53.34 1oww s TYR 58 Cb 0.06 -0.68 0.05 0.00 0.35 0.00 0.00 41.96 41.74 1oww s TYR 58 CO 0.07 -0.76 0.08 0.99 -1.34 0.00 0.00 175.55 174.59 1oww s THR 59 N -3.69 -0.10 0.15 4.34 2.01 -1.26 -2.14 115.64 114.95 1oww s THR 59 Ca 0.40 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.23 1oww s THR 59 Cb 0.04 -0.48 -0.07 0.00 0.01 0.00 0.00 72.50 72.00 1oww s THR 59 CO 0.22 -0.18 0.55 -0.63 -0.69 0.00 0.00 174.62 173.89 1oww s ILE 60 N 2.15 4.86 0.13 1.82 -1.09 -0.92 -4.95 121.20 123.20 1oww s ILE 60 Ca 0.03 0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 1oww s ILE 60 Cb -0.15 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1oww s ILE 60 CO -0.08 0.22 0.30 -1.59 -1.23 0.00 0.00 174.94 172.57 1oww s LYS 61 N -2.02 1.03 0.00 2.79 -2.85 -1.26 -1.85 119.74 115.58 1oww s LYS 61 Ca 0.38 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 1oww s LYS 61 Cb -0.15 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1oww s LYS 61 CO 0.19 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.68 1oww n GLY 62 N -0.17 0.56 3.66 0.59 0.00 -0.90 -4.98 105.19 103.95 1oww n GLY 62 Ca -0.13 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.57 3.04 0.16 0.99 1.43 -0.56 -5.07 118.68 117.10 1oww s LEU 63 Ca 0.00 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.16 1oww s LEU 63 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1oww s LEU 63 CO 0.00 -0.29 0.19 -0.54 0.23 0.00 0.00 176.35 175.94 1oww s LYS 64 N -3.76 3.10 0.51 1.70 -0.14 -1.24 -4.39 119.74 115.52 1oww s LYS 64 Ca 0.36 -0.77 -0.18 0.00 -1.36 0.00 0.00 55.97 54.02 1oww s LYS 64 Cb 0.00 -2.76 -0.07 0.00 -1.68 0.00 0.00 37.83 33.32 1oww s LYS 64 CO 0.20 0.50 1.01 -1.25 -0.76 0.00 0.00 175.35 175.05 1oww s PRO 65 N -3.15 3.78 -1.48 -1.68 0.04 -1.25 -4.29 135.00 126.96 1oww s PRO 65 Ca 0.32 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 1oww s PRO 65 Cb -0.10 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1oww s PRO 65 CO 0.25 -0.43 1.04 0.41 0.04 0.00 0.00 177.00 178.31 1oww n GLY 66 N -0.88 -0.50 3.07 0.56 0.00 -0.62 -4.97 105.19 101.86 1oww n GLY 66 Ca 0.08 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.32 1.03 -0.15 1.61 0.11 -1.02 -5.00 120.40 113.67 1oww s VAL 67 Ca 0.62 -0.53 -0.18 0.00 -2.93 0.00 0.00 61.98 58.96 1oww s VAL 67 Cb -0.30 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1oww s VAL 67 CO 0.80 0.30 0.49 0.54 -3.33 0.00 0.00 175.10 173.91 1oww s VAL 68 N -0.11 5.15 0.14 2.04 0.11 -1.26 -2.52 120.40 123.95 1oww s VAL 68 Ca 0.01 0.95 0.05 0.00 -2.93 0.00 0.00 61.98 60.07 1oww s VAL 68 Cb -0.07 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 1oww s VAL 68 CO 0.00 0.26 0.06 -0.31 -3.33 0.00 0.00 175.10 171.79 1oww s TYR 69 N 1.04 3.04 -0.11 1.54 2.02 -0.22 -1.71 117.35 122.95 1oww s TYR 69 Ca 0.25 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.80 1oww s TYR 69 Cb -0.15 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.87 1oww s TYR 69 CO 0.10 0.51 0.24 -2.00 -1.57 0.00 0.00 175.55 172.83 1oww s GLU 70 N -2.81 3.83 0.02 -0.62 2.56 -0.12 -1.85 118.70 119.71 1oww s GLU 70 Ca 0.29 0.04 0.04 0.00 0.00 0.00 0.00 54.97 55.34 1oww s GLU 70 Cb -0.10 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 32.73 1oww s GLU 70 CO 0.21 0.58 -0.13 0.20 -0.56 0.00 0.00 175.26 175.56 1oww s GLY 71 N -0.53 0.68 -0.03 -1.50 0.00 -0.91 -1.44 107.32 103.60 1oww s GLY 71 Ca 0.17 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1oww s GLY 71 CO 0.05 -0.66 -0.07 1.20 0.00 0.00 0.00 173.10 173.62 1oww s GLN 72 N -0.87 0.82 -0.43 2.90 -0.21 -0.73 -1.67 119.66 119.47 1oww s GLN 72 Ca 0.02 -0.21 -0.06 0.00 0.02 0.00 0.00 55.36 55.12 1oww s GLN 72 Cb -0.07 -0.79 0.10 0.00 1.00 0.00 0.00 33.01 33.26 1oww s GLN 72 CO 0.01 0.04 0.25 -1.17 -2.12 0.00 0.00 175.29 172.30 1oww s LEU 73 N 0.39 5.31 -0.24 2.90 2.96 -0.55 -1.54 118.68 127.91 1oww s LEU 73 Ca -0.05 -1.85 -0.13 0.00 -0.22 0.00 0.00 54.13 51.87 1oww s LEU 73 Cb -0.10 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1oww s LEU 73 CO 0.00 -0.58 0.26 -0.63 -1.32 0.00 0.00 176.35 174.09 1oww s ILE 74 N 1.27 5.28 -0.19 6.68 1.01 -0.41 -1.69 121.20 133.15 1oww s ILE 74 Ca 0.06 0.38 -0.00 0.00 0.00 0.00 0.00 60.65 61.09 1oww s ILE 74 Cb -0.24 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1oww s ILE 74 CO -0.02 0.27 -0.17 -0.94 0.00 0.00 0.00 174.94 174.09 1oww s SER 75 N 1.27 3.38 -0.05 3.58 1.04 -0.61 -0.66 113.70 121.66 1oww s SER 75 Ca 0.12 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.80 1oww s SER 75 Cb -0.15 -1.54 -0.05 0.00 0.10 0.00 0.00 66.02 64.39 1oww s SER 75 CO 0.07 -0.00 0.40 -0.63 0.98 0.00 0.00 173.24 174.06 1oww s ILE 76 N 1.33 5.12 0.23 -1.02 1.09 -0.99 -1.65 121.20 125.30 1oww s ILE 76 Ca 0.05 0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 60.35 1oww s ILE 76 Cb -0.13 -3.71 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 1oww s ILE 76 CO -0.11 0.49 0.48 -1.10 -0.10 0.00 0.00 174.94 174.61 1oww s GLN 77 N -0.46 3.63 -0.62 2.79 -0.21 -0.80 -0.94 119.66 123.05 1oww s GLN 77 Ca 0.23 -0.04 -0.26 0.00 0.02 0.00 0.00 55.36 55.30 1oww s GLN 77 Cb -0.16 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 1oww s GLN 77 CO 0.11 0.33 1.90 1.14 -2.12 0.00 0.00 175.29 176.65 1oww s GLN 78 N -3.18 2.58 -1.44 2.91 -2.07 -1.21 -3.08 119.66 114.18 1oww s GLN 78 Ca 0.43 0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 54.48 1oww s GLN 78 Cb -0.11 -4.43 0.04 0.00 -1.09 0.00 0.00 33.01 27.42 1oww s GLN 78 CO 0.27 -2.80 1.04 0.66 -1.32 0.00 0.00 175.29 173.14 1oww n TYR 79 N 13.04 -2.56 0.00 9.60 4.01 -1.26 -4.90 117.16 135.09 1oww n TYR 79 Ca 0.22 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.88 1oww n TYR 79 Cb 0.52 -4.53 0.00 0.00 -0.31 0.00 0.00 39.34 35.02 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 -1.82 4.53 3.86 2.72 0.00 -1.18 -5.17 105.19 108.13 1oww n GLY 80 Ca 0.01 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.67 -3.68 1.61 8.25 -1.26 -4.84 115.22 111.63 1oww n HIS 81 Ca 0.00 -1.35 -0.21 0.00 -0.26 0.00 0.00 57.72 55.90 1oww n HIS 81 Cb 0.00 -0.93 -0.18 0.00 1.12 0.00 0.00 29.99 30.00 1oww n HIS 81 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1oww s GLN 82 N -5.66 0.04 0.15 -0.41 0.74 -1.26 -1.91 119.66 111.35 1oww s GLN 82 Ca 0.72 0.30 0.01 0.00 0.05 0.00 0.00 55.36 56.44 1oww s GLN 82 Cb -0.03 -0.70 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 1oww s GLN 82 CO 0.50 -0.35 0.31 -1.21 -0.55 0.00 0.00 175.29 173.98 1oww s GLU 83 N 2.13 3.46 -0.04 1.67 2.02 -0.66 -4.98 118.70 122.31 1oww s GLU 83 Ca 0.05 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.56 1oww s GLU 83 Cb -0.12 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1oww s GLU 83 CO -0.04 0.50 -0.13 0.54 0.02 0.00 0.00 175.26 176.15 1oww s VAL 84 N -1.75 1.14 -0.04 2.63 0.11 -1.26 -1.57 120.40 119.66 1oww s VAL 84 Ca 0.36 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.92 1oww s VAL 84 Cb -0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1oww s VAL 84 CO 0.29 0.34 -0.25 -0.89 -3.33 0.00 0.00 175.10 171.25 1oww s THR 85 N 0.16 2.08 0.10 5.04 2.01 -0.68 -4.63 115.64 119.72 1oww s THR 85 Ca -0.05 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 60.96 1oww s THR 85 Cb -0.11 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1oww s THR 85 CO 0.02 0.57 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.20 1oww s ARG 86 N -0.33 1.05 0.26 4.92 0.52 -1.26 -1.48 118.95 122.63 1oww s ARG 86 Ca 0.01 -1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 53.89 1oww s ARG 86 Cb -0.12 -1.22 0.07 0.00 0.52 0.00 0.00 34.95 34.20 1oww s ARG 86 CO 0.02 0.28 0.95 -0.59 0.02 0.00 0.00 175.30 175.98 1oww s PHE 87 N -1.31 0.09 0.05 -0.53 -0.71 -0.67 -4.99 117.98 109.90 1oww s PHE 87 Ca 0.05 -0.59 -0.00 0.00 -1.04 0.00 0.00 56.93 55.35 1oww s PHE 87 Cb -0.09 0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 1oww s PHE 87 CO 0.04 -1.16 -0.04 0.16 -1.34 0.00 0.00 175.22 172.89 1oww s ASP 88 N -3.29 0.53 0.29 1.98 -4.77 -1.26 -2.13 116.67 108.02 1oww s ASP 88 Ca 0.20 -0.89 -0.01 0.00 -3.30 0.00 0.00 52.55 48.54 1oww s ASP 88 Cb -0.04 0.17 -0.02 0.00 -1.09 0.00 0.00 42.92 41.94 1oww s ASP 88 CO 0.07 -0.52 0.35 0.72 0.70 0.00 0.00 175.17 176.50 1oww s PHE 89 N -3.36 1.16 0.04 2.11 -0.71 -0.77 -4.90 117.98 111.54 1oww s PHE 89 Ca 0.03 -1.32 -0.06 0.00 -1.04 0.00 0.00 56.93 54.54 1oww s PHE 89 Cb 0.04 -0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.53 1oww s PHE 89 CO -0.07 -0.94 0.10 -0.08 -1.34 0.00 0.00 175.22 172.88 1oww s THR 90 N -3.53 0.13 -0.03 -4.49 -1.32 -1.26 -1.05 115.64 104.09 1oww s THR 90 Ca 0.34 -1.09 0.07 0.00 -1.21 0.00 0.00 61.69 59.80 1oww s THR 90 Cb 0.02 -0.91 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1oww s THR 90 CO 0.19 -0.60 -0.23 0.42 -2.21 0.00 0.00 174.62 172.18 1oww s THR 91 N -2.63 1.85 0.19 5.08 -4.23 -1.05 -4.98 115.64 109.88 1oww s THR 91 Ca -0.05 -0.99 -0.23 0.00 -1.18 0.00 0.00 61.69 59.24 1oww s THR 91 Cb -0.01 -1.54 0.06 0.00 1.34 0.00 0.00 72.50 72.35 1oww s THR 91 CO -0.05 0.52 0.95 0.28 -0.54 0.00 0.00 174.62 175.78 1oww s THR 92 N -0.45 0.00 -1.02 3.99 -1.32 -1.24 -1.58 115.64 114.01 1oww s THR 92 Ca 0.06 -0.71 0.08 0.00 -1.21 0.00 0.00 61.69 59.92 1oww s THR 92 Cb -0.10 -2.29 0.06 0.00 -1.51 0.00 0.00 72.50 68.67 1oww s THR 92 CO 0.00 0.00 0.76 -1.54 -2.21 0.00 0.00 174.62 171.63