#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 0.96 3.75 0.23 0.00 -1.26 -5.06 105.19 103.80 1oww n GLY 2 Ca 0.00 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.09 4.13 0.45 1.61 0.02 -1.26 -4.82 135.00 133.04 1oww s PRO 3 Ca 0.16 2.57 -0.12 0.00 0.02 0.00 0.00 61.00 63.63 1oww s PRO 3 Cb -0.05 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.38 1oww s PRO 3 CO 0.12 -0.63 0.85 0.08 -0.33 0.00 0.00 177.00 177.09 1oww s VAL 4 N 0.01 4.71 -0.46 3.83 1.01 -1.26 -4.85 120.40 123.39 1oww s VAL 4 Ca 0.63 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.29 1oww s VAL 4 Cb -0.48 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.26 1oww s VAL 4 CO 0.48 -0.62 0.34 -1.61 0.00 0.00 0.00 175.10 173.69 1oww s GLU 5 N -4.03 2.69 0.00 2.72 2.02 -1.12 -4.96 118.70 116.02 1oww s GLU 5 Ca 0.53 -1.56 0.06 0.00 0.02 0.00 0.00 54.97 54.02 1oww s GLU 5 Cb -0.10 -3.96 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 1oww s GLU 5 CO 0.33 -1.09 -0.18 0.54 0.02 0.00 0.00 175.26 174.88 1oww s VAL 6 N 1.47 1.45 0.25 2.63 0.11 -1.26 -1.19 120.40 123.87 1oww s VAL 6 Ca 0.04 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 58.00 1oww s VAL 6 Cb -0.25 -1.23 0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1oww s VAL 6 CO 0.02 0.34 0.78 0.72 -3.33 0.00 0.00 175.10 173.63 1oww s PHE 7 N -0.53 -0.16 -0.06 1.54 -0.12 -0.84 -5.01 117.98 112.79 1oww s PHE 7 Ca 0.07 -0.26 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 1oww s PHE 7 Cb -0.07 0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 43.01 1oww s PHE 7 CO -0.00 -1.15 -0.19 0.96 -0.05 0.00 0.00 175.22 174.79 1oww s ILE 8 N -3.71 1.62 -0.08 -4.49 -0.00 -1.26 -2.44 121.20 110.84 1oww s ILE 8 Ca 0.12 -0.80 0.00 0.00 -0.00 0.00 0.00 60.65 59.97 1oww s ILE 8 Cb -0.05 -1.40 0.02 0.00 -0.00 0.00 0.00 42.46 41.04 1oww s ILE 8 CO 0.06 0.46 -0.07 0.42 -0.00 0.00 0.00 174.94 175.81 1oww s THR 9 N 0.15 0.85 -0.72 8.37 -4.23 -1.26 -4.82 115.64 113.98 1oww s THR 9 Ca -0.08 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1oww s THR 9 Cb -0.14 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1oww s THR 9 CO 0.04 0.32 0.61 1.21 -0.54 0.00 0.00 174.62 176.26 1oww n GLU 10 N 4.54 -4.03 -3.50 3.99 2.13 -1.26 -5.02 120.64 117.49 1oww n GLU 10 Ca -0.16 0.50 -0.42 0.00 0.66 0.00 0.00 57.16 57.74 1oww n GLU 10 Cb 0.51 -4.50 -0.08 0.00 0.27 0.00 0.00 31.44 27.63 1oww n GLU 10 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1oww s THR 11 N -3.21 4.60 -0.01 6.31 -4.23 -1.26 -5.01 115.64 112.83 1oww s THR 11 Ca 0.04 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1oww s THR 11 Cb -0.02 -3.88 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 1oww s THR 11 CO 0.43 -0.65 0.27 1.55 -0.54 0.00 0.00 174.62 175.68 1oww h PRO 12 N 8.57 -0.03 -2.88 3.99 0.13 -1.97 -3.45 132.00 136.35 1oww h PRO 12 Ca -0.25 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.44 1oww h PRO 12 Cb 1.09 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 1oww h PRO 12 CO 0.86 -0.02 -0.73 -1.54 -0.23 0.00 0.00 178.00 176.33 1oww s SER 13 N -2.99 2.40 -0.29 1.44 1.04 -1.26 -4.98 113.70 109.07 1oww s SER 13 Ca -0.00 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1oww s SER 13 Cb 0.00 -0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.06 1oww s SER 13 CO 0.01 -0.37 -0.04 -1.10 0.98 0.00 0.00 173.24 172.73 1oww s GLN 14 N 2.17 1.84 0.18 4.02 -1.52 -1.17 -4.96 119.66 120.21 1oww s GLN 14 Ca 0.04 -1.52 0.16 0.00 -1.95 0.00 0.00 55.36 52.09 1oww s GLN 14 Cb -0.16 -2.96 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 1oww s GLN 14 CO -0.16 -0.73 1.16 -1.00 -0.25 0.00 0.00 175.29 174.31 1oww h PRO 15 N 7.73 0.00 0.00 2.91 0.13 -1.93 -3.27 132.00 137.58 1oww h PRO 15 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1oww h PRO 15 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1oww h PRO 15 CO 0.48 0.42 -0.21 -1.71 -0.23 0.00 0.00 178.00 176.75 1oww n ASN 16 N -3.07 1.06 -4.94 1.44 2.85 -1.26 -2.78 115.26 108.55 1oww n ASN 16 Ca -0.03 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.18 1oww n ASN 16 Cb 0.79 0.17 -0.03 0.00 1.24 0.00 0.00 39.78 41.95 1oww n ASN 16 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1oww s SER 17 N -0.81 6.35 -0.38 1.20 1.04 -1.26 -2.24 113.70 117.60 1oww s SER 17 Ca 0.00 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1oww s SER 17 Cb 0.00 -1.97 0.15 0.00 0.10 0.00 0.00 66.02 64.30 1oww s SER 17 CO 0.00 -0.06 0.26 -2.28 0.98 0.00 0.00 173.24 172.14 1oww s HIS 18 N -1.92 0.91 -0.70 5.02 2.46 -0.30 -4.72 115.29 116.03 1oww s HIS 18 Ca 0.37 -1.91 -0.25 0.00 0.47 0.00 0.00 55.06 53.74 1oww s HIS 18 Cb -0.10 -0.96 0.04 0.00 -0.13 0.00 0.00 32.58 31.43 1oww s HIS 18 CO 0.30 -0.83 1.16 -1.25 -2.47 0.00 0.00 174.74 171.65 1oww s PRO 19 N 0.67 3.19 0.47 2.88 0.04 -1.26 -2.27 135.00 138.72 1oww s PRO 19 Ca 0.23 -0.41 0.02 0.00 0.04 0.00 0.00 61.00 60.88 1oww s PRO 19 Cb -0.13 -4.18 0.01 0.00 0.04 0.00 0.00 34.50 30.23 1oww s PRO 19 CO -0.06 -1.99 0.68 0.96 0.04 0.00 0.00 177.00 176.62 1oww s ILE 20 N 5.08 3.53 -0.00 0.56 -4.36 -0.68 -4.85 121.20 120.48 1oww s ILE 20 Ca 0.31 -0.63 -0.05 0.00 -0.26 0.00 0.00 60.65 60.02 1oww s ILE 20 Cb -0.11 -3.29 -0.00 0.00 1.25 0.00 0.00 42.46 40.30 1oww s ILE 20 CO 0.14 -0.19 0.09 -1.58 0.24 0.00 0.00 174.94 173.64 1oww s GLN 21 N -4.57 0.36 0.16 0.37 0.74 -1.02 -2.04 119.66 113.66 1oww s GLN 21 Ca 0.51 -0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.65 1oww s GLN 21 Cb -0.10 0.15 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 1oww s GLN 21 CO 0.37 -0.08 -0.11 1.67 -0.55 0.00 0.00 175.29 176.59 1oww s TRP 22 N -1.07 1.38 -0.04 1.67 -2.14 -0.59 -2.00 118.94 116.15 1oww s TRP 22 Ca -0.12 -0.70 0.02 0.00 2.66 0.00 0.00 56.10 57.96 1oww s TRP 22 Cb -0.07 -0.68 0.01 0.00 -3.10 0.00 0.00 33.47 29.63 1oww s TRP 22 CO 0.01 0.16 -0.10 -0.80 -2.66 0.00 0.00 176.95 173.55 1oww s ASN 23 N -3.19 1.44 0.59 -2.66 0.01 -0.33 -4.74 114.94 106.07 1oww s ASN 23 Ca 0.18 -0.23 -0.06 0.00 -0.71 0.00 0.00 52.86 52.04 1oww s ASN 23 Cb 0.01 -0.54 0.01 0.00 0.41 0.00 0.00 41.25 41.14 1oww s ASN 23 CO 0.02 0.04 0.91 0.00 -1.51 0.00 0.00 177.10 176.56 1oww s ALA 24 N 0.47 3.28 1.30 0.60 0.00 -1.26 -2.80 121.76 123.34 1oww s ALA 24 Ca -0.09 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 1oww s ALA 24 Cb -0.12 -2.64 0.31 0.00 0.00 0.00 0.00 23.12 20.66 1oww s ALA 24 CO 0.02 -0.79 0.98 -2.30 0.00 0.00 0.00 175.76 173.66 1oww n PRO 25 N -2.60 -3.49 -0.07 0.00 -0.02 -1.26 -4.94 135.00 122.63 1oww n PRO 25 Ca 0.04 -1.58 -0.13 0.00 -2.02 0.00 0.00 63.50 59.81 1oww n PRO 25 Cb 0.57 -1.62 -0.12 0.00 -0.02 0.00 0.00 33.50 32.32 1oww n PRO 25 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1oww h GLN 26 N 0.00 -0.00 -7.02 -0.52 -0.00 -1.99 -3.47 115.11 102.11 1oww h GLN 26 Ca -0.39 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 57.75 1oww h GLN 26 Cb 1.21 0.00 0.07 0.00 0.00 0.00 0.00 27.48 28.76 1oww h GLN 26 CO 0.25 0.91 0.49 -2.14 0.00 0.00 0.00 178.83 178.33 1oww s PRO 27 N -2.19 3.60 -1.02 -2.39 0.02 -1.26 -4.92 135.00 126.83 1oww s PRO 27 Ca -0.17 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.62 1oww s PRO 27 Cb -0.03 -2.31 0.30 0.00 0.02 0.00 0.00 34.50 32.49 1oww s PRO 27 CO 0.63 -0.69 1.92 -1.13 -0.33 0.00 0.00 177.00 177.40 1oww n SER 28 N -0.72 7.44 -0.19 2.53 3.41 -1.26 -4.16 113.62 120.67 1oww n SER 28 Ca 0.09 -3.65 0.02 0.00 -0.26 0.00 0.00 58.87 55.06 1oww n SER 28 Cb 0.48 -1.18 0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1oww n SER 28 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1oww n HIS 29 N 0.05 0.03 -3.88 7.33 -0.00 -1.26 -4.92 115.22 112.56 1oww n HIS 29 Ca 0.49 -0.07 -0.35 0.00 -0.00 0.00 0.00 57.72 57.79 1oww n HIS 29 Cb 0.26 -0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 30.16 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 -0.46 5.15 0.00 3.57 1.01 -1.26 -2.15 121.20 127.05 1oww s ILE 30 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1oww s ILE 30 Cb 0.04 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1oww s ILE 30 CO 0.06 0.48 0.00 -1.54 0.00 0.00 0.00 174.94 173.94 1oww n SER 31 N 3.23 0.00 -4.87 3.58 3.41 -0.37 -4.93 113.62 113.66 1oww n SER 31 Ca -0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.21 1oww n SER 31 Cb 0.53 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 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 2.18 0.06 4.33 1.02 -1.14 -4.09 119.74 122.11 1oww s LYS 32 Ca 0.00 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.38 1oww s LYS 32 Cb 0.00 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1oww s LYS 32 CO 0.00 -1.10 -0.15 0.71 -0.92 0.00 0.00 175.35 173.89 1oww s TYR 33 N -3.04 1.33 -0.09 3.18 2.02 -0.98 -1.74 117.35 118.02 1oww s TYR 33 Ca 0.61 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.95 1oww s TYR 33 Cb -0.09 -0.77 -0.00 0.00 -0.40 0.00 0.00 41.96 40.70 1oww s TYR 33 CO 0.42 0.07 -0.24 0.42 -1.57 0.00 0.00 175.55 174.65 1oww s ILE 34 N -1.03 2.02 -0.13 2.71 1.01 0.22 -0.93 121.20 125.07 1oww s ILE 34 Ca 0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1oww s ILE 34 Cb -0.09 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1oww s ILE 34 CO 0.02 0.55 -0.07 -0.76 0.00 0.00 0.00 174.94 174.69 1oww s LEU 35 N 0.26 3.12 0.16 2.97 1.43 -0.83 -1.11 118.68 124.67 1oww s LEU 35 Ca -0.16 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1oww s LEU 35 Cb -0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1oww s LEU 35 CO 0.08 0.22 -0.12 0.00 0.23 0.00 0.00 176.35 176.76 1oww s ARG 36 N 0.03 1.12 -0.18 1.70 3.03 -0.38 -0.90 118.95 123.37 1oww s ARG 36 Ca -0.01 -1.44 -0.20 0.00 2.03 0.00 0.00 55.73 56.11 1oww s ARG 36 Cb -0.14 -0.80 0.05 0.00 -1.03 0.00 0.00 34.95 33.04 1oww s ARG 36 CO 0.03 0.12 0.54 1.67 -1.13 0.00 0.00 175.30 176.53 1oww s TRP 37 N -3.01 -0.58 0.01 5.89 -2.14 -0.84 -1.50 118.94 116.77 1oww s TRP 37 Ca 0.16 1.37 0.01 0.00 2.66 0.00 0.00 56.10 60.30 1oww s TRP 37 Cb 0.00 0.21 -0.01 0.00 -3.10 0.00 0.00 33.47 30.58 1oww s TRP 37 CO 0.03 -0.32 -0.03 0.50 -2.66 0.00 0.00 176.95 174.46 1oww s ARG 38 N 0.09 0.28 -0.11 3.25 3.52 -0.45 -2.27 118.95 123.26 1oww s ARG 38 Ca -0.02 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1oww s ARG 38 Cb -0.04 -0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.11 1oww s ARG 38 CO 0.02 0.04 1.80 -2.14 -0.81 0.00 0.00 175.30 174.21 1oww s PRO 39 N -0.45 3.90 -1.10 5.12 0.02 -1.26 -1.01 135.00 140.21 1oww s PRO 39 Ca -0.03 2.11 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 1oww s PRO 39 Cb -0.03 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 30.34 1oww s PRO 39 CO -0.00 -1.20 1.87 0.21 -0.33 0.00 0.00 177.00 177.55 1oww s LYS 40 N 4.68 2.80 0.03 5.54 2.20 -0.62 -3.75 119.74 130.63 1oww s LYS 40 Ca 0.81 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1oww s LYS 40 Cb -0.33 -5.24 0.00 0.00 -1.51 0.00 0.00 37.83 30.75 1oww s LYS 40 CO 0.33 -3.44 0.00 0.09 -0.36 0.00 0.00 175.35 171.98 1oww n ASN 41 N 13.03 -0.20 -4.88 1.43 4.13 -1.26 -4.79 115.26 122.72 1oww n ASN 41 Ca 0.43 0.06 -0.24 0.00 1.68 0.00 0.00 54.58 56.51 1oww n ASN 41 Cb 0.47 0.44 -0.02 0.00 -1.54 0.00 0.00 39.78 39.13 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 -2.50 4.73 -0.55 6.41 1.04 -1.25 -5.05 113.70 116.53 1oww s SER 42 Ca 0.00 -1.09 0.04 0.00 0.48 0.00 0.00 55.95 55.38 1oww s SER 42 Cb 0.00 0.05 0.40 0.00 0.10 0.00 0.00 66.02 66.57 1oww s SER 42 CO 0.00 -0.93 1.29 1.33 0.98 0.00 0.00 173.24 175.91 1oww n VAL 43 N -1.66 2.79 0.00 5.02 0.24 -1.26 -4.84 118.33 118.62 1oww n VAL 43 Ca 0.00 -4.92 0.00 0.00 -2.04 0.00 0.00 64.34 57.38 1oww n VAL 43 Cb 0.64 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 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 -0.45 1.24 3.85 7.63 0.00 -1.26 -5.07 105.19 111.13 1oww n GLY 44 Ca 0.41 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 3.41 3.85 0.26 1.61 1.81 -1.26 -5.06 118.95 123.58 1oww s ARG 45 Ca 0.00 0.82 -0.21 0.00 -1.72 0.00 0.00 55.73 54.63 1oww s ARG 45 Cb 0.00 -2.17 0.02 0.00 -0.45 0.00 0.00 34.95 32.35 1oww s ARG 45 CO 0.00 -0.28 0.69 1.67 -0.68 0.00 0.00 175.30 176.70 1oww s TRP 46 N -2.68 -0.19 0.21 -0.53 1.48 -1.26 -4.81 118.94 111.17 1oww s TRP 46 Ca 0.57 -0.24 0.09 0.00 -1.06 0.00 0.00 56.10 55.46 1oww s TRP 46 Cb -0.10 0.65 -0.04 0.00 -1.16 0.00 0.00 33.47 32.82 1oww s TRP 46 CO 0.35 -1.18 -0.05 0.15 -4.06 0.00 0.00 176.95 172.17 1oww s LYS 47 N -3.91 2.19 0.13 3.25 1.02 -0.96 -5.03 119.74 116.43 1oww s LYS 47 Ca 0.11 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.65 1oww s LYS 47 Cb -0.05 -2.18 0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1oww s LYS 47 CO 0.05 0.41 0.35 -1.83 -0.92 0.00 0.00 175.35 173.40 1oww s GLU 48 N -3.18 1.06 0.12 1.68 -1.05 -1.26 -1.99 118.70 114.08 1oww s GLU 48 Ca 0.28 -0.85 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1oww s GLU 48 Cb -0.08 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1oww s GLU 48 CO 0.17 -0.40 0.04 0.00 0.95 0.00 0.00 175.26 176.03 1oww s ALA 49 N -3.85 0.86 -0.17 -0.84 0.00 -0.08 -5.00 121.76 112.69 1oww s ALA 49 Ca 0.06 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1oww s ALA 49 Cb 0.02 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1oww s ALA 49 CO -0.09 -0.46 -0.18 0.99 0.00 0.00 0.00 175.76 176.01 1oww s THR 50 N -4.01 2.30 -0.11 0.00 2.01 -1.26 -1.96 115.64 112.61 1oww s THR 50 Ca 0.22 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 1oww s THR 50 Cb 0.07 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1oww s THR 50 CO 0.01 0.53 0.07 -0.63 -0.69 0.00 0.00 174.62 173.90 1oww s ILE 51 N 1.06 4.87 0.89 1.82 -1.09 -0.11 -4.99 121.20 123.66 1oww s ILE 51 Ca -0.01 -0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.28 1oww s ILE 51 Cb -0.14 -3.10 0.13 0.00 -1.58 0.00 0.00 42.46 37.76 1oww s ILE 51 CO -0.06 0.59 1.12 -2.84 -1.23 0.00 0.00 174.94 172.52 1oww s PRO 52 N -0.78 1.23 0.43 2.79 0.02 -1.26 -2.33 135.00 135.10 1oww s PRO 52 Ca 0.13 1.33 0.25 0.00 0.02 0.00 0.00 61.00 62.72 1oww s PRO 52 Cb -0.12 -1.77 0.57 0.00 0.02 0.00 0.00 34.50 33.21 1oww s PRO 52 CO 0.03 -2.41 1.69 0.78 -0.33 0.00 0.00 177.00 176.76 1oww h GLY 53 N -1.70 0.00 1.64 0.52 0.00 -1.91 -3.13 103.07 98.49 1oww h GLY 53 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1oww h GLY 53 CO 0.46 0.00 -0.80 1.12 0.00 0.00 0.00 176.54 177.32 1oww h HIS 54 N 0.00 0.00 -3.35 5.60 2.07 -1.93 -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 0.88 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.80 1oww h HIS 54 CO 0.00 0.50 0.02 -0.51 -3.07 0.00 0.00 177.93 174.87 1oww s LEU 55 N -6.20 4.30 -0.01 6.12 1.43 -1.18 -4.93 118.68 118.21 1oww s LEU 55 Ca 0.02 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.23 1oww s LEU 55 Cb 0.08 -2.96 0.13 0.00 0.03 0.00 0.00 46.19 43.47 1oww s LEU 55 CO 0.77 -0.09 1.10 -0.46 0.23 0.00 0.00 176.35 177.90 1oww n ASN 56 N 3.79 2.38 -3.98 2.29 0.23 -1.26 -4.77 115.26 113.94 1oww n ASN 56 Ca -0.03 -2.08 -0.09 0.00 -0.53 0.00 0.00 54.58 51.86 1oww n ASN 56 Cb 0.51 -0.11 -0.10 0.00 -2.08 0.00 0.00 39.78 38.00 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 -1.11 0.26 0.24 0.53 1.04 -1.26 -1.55 113.70 111.85 1oww s SER 57 Ca 0.10 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1oww s SER 57 Cb 0.06 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1oww s SER 57 CO 0.06 -0.46 0.13 -0.47 0.98 0.00 0.00 173.24 173.47 1oww s TYR 58 N -2.53 1.36 -0.20 5.02 5.04 -0.87 -5.00 117.35 120.18 1oww s TYR 58 Ca -0.06 -1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 53.23 1oww s TYR 58 Cb -0.02 -0.72 0.06 0.00 0.35 0.00 0.00 41.96 41.63 1oww s TYR 58 CO -0.05 -0.52 0.03 0.99 -1.34 0.00 0.00 175.55 174.66 1oww s THR 59 N -3.94 0.60 0.16 4.34 2.01 -1.26 -1.69 115.64 115.87 1oww s THR 59 Ca 0.38 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 1oww s THR 59 Cb 0.07 -1.09 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 1oww s THR 59 CO 0.14 -0.20 0.62 -0.63 -0.69 0.00 0.00 174.62 173.85 1oww s ILE 60 N 1.82 4.73 0.15 1.82 1.01 -0.96 -4.96 121.20 124.82 1oww s ILE 60 Ca -0.01 1.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.64 1oww s ILE 60 Cb -0.17 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1oww s ILE 60 CO -0.08 0.28 0.19 -0.54 0.00 0.00 0.00 174.94 174.79 1oww s LYS 61 N -1.84 1.07 0.00 2.79 1.02 -1.26 -1.15 119.74 120.37 1oww s LYS 61 Ca 0.38 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1oww s LYS 61 Cb -0.16 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1oww s LYS 61 CO 0.20 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1oww n GLY 62 N -0.17 0.55 3.62 -3.33 0.00 -1.01 -5.00 105.19 99.86 1oww n GLY 62 Ca -0.06 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.03 2.73 0.12 0.99 1.43 -0.95 -5.08 118.68 116.89 1oww s LEU 63 Ca 0.00 -1.41 0.08 0.00 -1.03 0.00 0.00 54.13 51.76 1oww s LEU 63 Cb 0.00 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1oww s LEU 63 CO 0.00 -0.52 -0.11 -0.54 0.23 0.00 0.00 176.35 175.41 1oww s LYS 64 N -3.75 2.06 0.65 1.70 -0.14 -1.25 -4.34 119.74 114.67 1oww s LYS 64 Ca 0.31 -1.10 -0.16 0.00 -1.36 0.00 0.00 55.97 53.67 1oww s LYS 64 Cb 0.09 -2.25 -0.00 0.00 -1.68 0.00 0.00 37.83 33.98 1oww s LYS 64 CO 0.16 0.49 1.14 -2.14 -0.76 0.00 0.00 175.35 174.23 1oww s PRO 65 N -2.33 2.77 -1.70 -1.68 0.02 -1.12 -4.22 135.00 126.74 1oww s PRO 65 Ca 0.22 1.51 -0.00 0.00 0.02 0.00 0.00 61.00 62.75 1oww s PRO 65 Cb -0.11 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1oww s PRO 65 CO 0.14 -1.30 0.03 0.41 -0.33 0.00 0.00 177.00 175.95 1oww n GLY 66 N -0.19 -0.50 3.18 0.52 0.00 -0.58 -4.91 105.19 102.71 1oww n GLY 66 Ca 0.11 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.00 1.38 -0.14 1.61 0.11 -1.16 -5.04 120.40 114.16 1oww s VAL 67 Ca 0.02 -0.88 -0.15 0.00 -2.93 0.00 0.00 61.98 58.03 1oww s VAL 67 Cb -0.01 -1.18 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 1oww s VAL 67 CO 0.02 0.27 0.36 0.54 -3.33 0.00 0.00 175.10 172.96 1oww s VAL 68 N -0.57 5.25 0.18 2.04 0.11 -1.26 -2.63 120.40 123.52 1oww s VAL 68 Ca 0.06 0.69 0.07 0.00 -2.93 0.00 0.00 61.98 59.88 1oww s VAL 68 Cb -0.07 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1oww s VAL 68 CO 0.00 0.38 0.01 -0.31 -3.33 0.00 0.00 175.10 171.85 1oww s TYR 69 N 0.41 2.86 -0.17 1.54 1.51 -0.22 -1.58 117.35 121.70 1oww s TYR 69 Ca 0.20 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1oww s TYR 69 Cb -0.14 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1oww s TYR 69 CO 0.06 0.52 0.19 -2.00 -1.11 0.00 0.00 175.55 173.22 1oww s GLU 70 N -2.99 4.07 0.07 -0.62 2.56 -0.18 -1.85 118.70 119.76 1oww s GLU 70 Ca 0.28 -0.08 0.06 0.00 0.00 0.00 0.00 54.97 55.22 1oww s GLU 70 Cb -0.09 -3.37 -0.03 0.00 2.00 0.00 0.00 34.13 32.64 1oww s GLU 70 CO 0.19 0.38 -0.15 0.20 -0.56 0.00 0.00 175.26 175.32 1oww s GLY 71 N 0.09 0.90 -0.03 -1.50 0.00 -0.91 -1.35 107.32 104.53 1oww s GLY 71 Ca 0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 1oww s GLY 71 CO 0.01 -1.00 0.06 1.20 0.00 0.00 0.00 173.10 173.38 1oww s GLN 72 N -1.60 0.05 -0.41 2.90 -0.21 -0.57 -1.86 119.66 117.96 1oww s GLN 72 Ca 0.00 0.13 0.02 0.00 0.02 0.00 0.00 55.36 55.53 1oww s GLN 72 Cb -0.09 -0.04 0.11 0.00 1.00 0.00 0.00 33.01 33.99 1oww s GLN 72 CO 0.02 -0.05 0.16 -1.17 -2.12 0.00 0.00 175.29 172.13 1oww s LEU 73 N 0.35 4.82 -0.14 2.90 2.96 -0.66 -1.24 118.68 127.67 1oww s LEU 73 Ca -0.03 -2.37 -0.18 0.00 -0.22 0.00 0.00 54.13 51.34 1oww s LEU 73 Cb -0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1oww s LEU 73 CO -0.01 -0.38 0.47 -0.63 -1.32 0.00 0.00 176.35 174.47 1oww s ILE 74 N 0.63 5.19 -0.25 6.68 1.01 -0.27 -1.78 121.20 132.40 1oww s ILE 74 Ca 0.12 0.92 -0.05 0.00 0.00 0.00 0.00 60.65 61.64 1oww s ILE 74 Cb -0.21 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1oww s ILE 74 CO -0.05 0.31 0.02 -0.44 0.00 0.00 0.00 174.94 174.77 1oww s SER 75 N 0.71 4.72 -0.05 3.58 0.01 0.05 -0.61 113.70 122.11 1oww s SER 75 Ca 0.25 -0.51 -0.22 0.00 1.31 0.00 0.00 55.95 56.78 1oww s SER 75 Cb -0.15 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1oww s SER 75 CO 0.10 -0.09 0.63 -0.63 0.41 0.00 0.00 173.24 173.66 1oww s ILE 76 N 1.49 5.01 0.25 1.44 1.09 -0.71 -1.03 121.20 128.74 1oww s ILE 76 Ca 0.04 1.30 0.01 0.00 -1.10 0.00 0.00 60.65 60.90 1oww s ILE 76 Cb -0.16 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 1oww s ILE 76 CO -0.00 0.33 0.43 -1.10 -0.10 0.00 0.00 174.94 174.49 1oww s GLN 77 N 0.38 3.50 -0.13 2.79 -0.21 -0.56 -1.24 119.66 124.19 1oww s GLN 77 Ca 0.33 -0.42 -0.29 0.00 0.02 0.00 0.00 55.36 55.00 1oww s GLN 77 Cb -0.18 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 1oww s GLN 77 CO 0.17 0.34 1.57 -0.65 -2.12 0.00 0.00 175.29 174.59 1oww s GLN 78 N -3.72 4.05 -1.42 2.91 -0.21 -0.92 -3.52 119.66 116.83 1oww s GLN 78 Ca 0.38 1.90 -0.05 0.00 0.02 0.00 0.00 55.36 57.62 1oww s GLN 78 Cb -0.10 -3.96 0.01 0.00 1.00 0.00 0.00 33.01 29.95 1oww s GLN 78 CO 0.31 -0.98 0.61 0.66 -2.12 0.00 0.00 175.29 173.77 1oww n TYR 79 N 7.50 -1.89 0.00 0.91 4.01 -1.26 -4.63 117.16 121.81 1oww n TYR 79 Ca 0.17 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 1oww n TYR 79 Cb 0.44 -4.28 0.00 0.00 -0.31 0.00 0.00 39.34 35.19 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 -1.51 -2.02 3.40 2.72 0.00 -1.23 -5.17 105.19 101.38 1oww n GLY 80 Ca -0.10 0.82 -0.26 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.97 -3.69 1.61 8.25 -1.26 -4.86 115.22 111.30 1oww n HIS 81 Ca 0.00 -1.03 -0.14 0.00 -0.26 0.00 0.00 57.72 56.29 1oww n HIS 81 Cb 0.00 -0.93 -0.08 0.00 1.12 0.00 0.00 29.99 30.10 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 -5.54 0.72 0.01 -0.41 -2.07 -1.26 -1.49 119.66 109.62 1oww s GLN 82 Ca 0.67 0.21 0.00 0.00 -1.82 0.00 0.00 55.36 54.42 1oww s GLN 82 Cb -0.02 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1oww s GLN 82 CO 0.47 -0.18 0.07 -2.00 -1.32 0.00 0.00 175.29 172.34 1oww s GLU 83 N -0.75 3.01 -0.10 9.60 2.56 -0.19 -4.93 118.70 127.89 1oww s GLU 83 Ca -0.08 -0.54 0.03 0.00 0.00 0.00 0.00 54.97 54.38 1oww s GLU 83 Cb -0.03 -2.82 -0.01 0.00 2.00 0.00 0.00 34.13 33.27 1oww s GLU 83 CO 0.04 0.63 -0.20 0.54 -0.56 0.00 0.00 175.26 175.71 1oww s VAL 84 N -1.22 2.44 -0.07 3.70 0.11 -1.26 -0.77 120.40 123.33 1oww s VAL 84 Ca 0.24 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1oww s VAL 84 Cb -0.12 -1.96 -0.02 0.00 -1.53 0.00 0.00 36.38 32.75 1oww s VAL 84 CO 0.15 0.55 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.46 1oww s THR 85 N 0.18 3.16 0.07 5.04 2.01 -0.74 -4.72 115.64 120.65 1oww s THR 85 Ca -0.12 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1oww s THR 85 Cb -0.16 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1oww s THR 85 CO 0.06 0.58 -0.13 0.00 -0.69 0.00 0.00 174.62 174.45 1oww s ARG 86 N -0.57 0.79 0.28 4.92 1.70 -1.26 -1.66 118.95 123.16 1oww s ARG 86 Ca 0.08 -0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 54.18 1oww s ARG 86 Cb -0.11 -0.73 0.06 0.00 -0.57 0.00 0.00 34.95 33.60 1oww s ARG 86 CO 0.01 0.15 0.91 -0.59 -1.08 0.00 0.00 175.30 174.71 1oww s PHE 87 N -1.47 0.08 0.07 5.89 -0.71 -0.78 -5.01 117.98 116.06 1oww s PHE 87 Ca -0.02 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.28 1oww s PHE 87 Cb -0.09 0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1oww s PHE 87 CO 0.02 -1.23 -0.05 0.16 -1.34 0.00 0.00 175.22 172.78 1oww s ASP 88 N -3.22 0.83 0.23 1.98 1.47 -1.26 -2.13 116.67 114.57 1oww s ASP 88 Ca 0.18 -0.90 -0.06 0.00 1.18 0.00 0.00 52.55 52.95 1oww s ASP 88 Cb -0.04 0.12 -0.02 0.00 -0.34 0.00 0.00 42.92 42.64 1oww s ASP 88 CO 0.08 -0.45 0.31 0.72 0.68 0.00 0.00 175.17 176.51 1oww s PHE 89 N -3.20 0.82 0.06 2.11 -0.71 -0.77 -4.90 117.98 111.38 1oww s PHE 89 Ca 0.05 -1.09 0.09 0.00 -1.04 0.00 0.00 56.93 54.94 1oww s PHE 89 Cb 0.03 -0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1oww s PHE 89 CO -0.05 -0.83 -0.25 0.95 -1.34 0.00 0.00 175.22 173.70 1oww s THR 90 N -4.01 2.00 -0.24 -4.49 -4.23 -1.26 -1.06 115.64 102.35 1oww s THR 90 Ca 0.31 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1oww s THR 90 Cb 0.03 -1.73 0.05 0.00 1.34 0.00 0.00 72.50 72.19 1oww s THR 90 CO 0.12 0.27 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.45 1oww s THR 91 N -0.84 2.20 0.01 3.99 2.01 -1.08 -4.99 115.64 116.94 1oww s THR 91 Ca 0.11 -1.37 -0.05 0.00 0.31 0.00 0.00 61.69 60.68 1oww s THR 91 Cb -0.10 -2.17 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 1oww s THR 91 CO 0.02 0.16 0.09 -0.89 -0.69 0.00 0.00 174.62 173.32 1oww s THR 92 N 1.18 0.09 -2.68 -0.82 2.01 -1.23 -1.52 115.64 112.66 1oww s THR 92 Ca -0.04 -0.74 0.27 0.00 0.31 0.00 0.00 61.69 61.49 1oww s THR 92 Cb -0.18 -0.38 0.42 0.00 0.01 0.00 0.00 72.50 72.37 1oww s THR 92 CO -0.07 -0.40 1.57 -0.24 -0.69 0.00 0.00 174.62 174.78