#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww n GLY 2 N 0.00 1.69 3.73 0.46 0.00 -1.26 -5.11 105.19 104.71 1oww n GLY 2 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.90 4.12 0.53 1.61 0.02 -1.26 -4.83 135.00 133.29 1oww s PRO 3 Ca 0.00 2.60 -0.17 0.00 0.02 0.00 0.00 61.00 63.45 1oww s PRO 3 Cb 0.00 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.40 1oww s PRO 3 CO 0.00 -0.70 1.01 0.08 -0.33 0.00 0.00 177.00 177.06 1oww s VAL 4 N 0.67 4.26 -0.99 3.83 1.01 -1.26 -4.90 120.40 123.01 1oww s VAL 4 Ca 0.70 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 63.66 1oww s VAL 4 Cb -0.49 -3.59 0.21 0.00 0.00 0.00 0.00 36.38 32.51 1oww s VAL 4 CO 0.39 -0.58 1.05 -1.61 0.00 0.00 0.00 175.10 174.34 1oww s GLU 5 N -3.97 3.85 -0.27 2.72 2.02 -0.60 -4.95 118.70 117.51 1oww s GLU 5 Ca 0.61 -2.55 -0.11 0.00 0.02 0.00 0.00 54.97 52.94 1oww s GLU 5 Cb -0.12 -4.67 -0.05 0.00 0.10 0.00 0.00 34.13 29.39 1oww s GLU 5 CO 0.31 -1.46 0.18 0.54 0.02 0.00 0.00 175.26 174.86 1oww s VAL 6 N 0.52 5.31 -0.70 2.63 0.11 -1.26 -1.12 120.40 125.88 1oww s VAL 6 Ca 0.29 0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 59.32 1oww s VAL 6 Cb -0.08 -3.52 0.13 0.00 -1.53 0.00 0.00 36.38 31.38 1oww s VAL 6 CO -0.07 0.26 0.80 -0.36 -3.33 0.00 0.00 175.10 172.40 1oww s PHE 7 N 1.66 3.15 -0.61 1.54 0.08 -0.43 -4.96 117.98 118.41 1oww s PHE 7 Ca 0.07 -1.22 -0.12 0.00 0.12 0.00 0.00 56.93 55.78 1oww s PHE 7 Cb -0.16 -4.04 0.15 0.00 -0.57 0.00 0.00 43.02 38.41 1oww s PHE 7 CO 0.10 -1.29 0.53 0.42 -0.10 0.00 0.00 175.22 174.88 1oww s ILE 8 N 2.27 4.91 0.12 0.64 -1.09 -1.26 -3.83 121.20 122.95 1oww s ILE 8 Ca 0.17 -1.99 0.01 0.00 -2.23 0.00 0.00 60.65 56.61 1oww s ILE 8 Cb -0.18 -4.14 -0.22 0.00 -1.58 0.00 0.00 42.46 36.34 1oww s ILE 8 CO 0.01 -0.89 1.25 0.71 -1.23 0.00 0.00 174.94 174.79 1oww h THR 9 N 5.59 1.57 -4.41 2.92 1.35 -1.93 -3.48 112.91 114.51 1oww h THR 9 Ca -0.14 -3.04 -0.19 0.00 -0.55 0.00 0.00 66.41 62.49 1oww h THR 9 Cb 1.06 2.77 0.12 0.00 -1.73 0.00 0.00 68.15 70.37 1oww h THR 9 CO 0.88 0.88 -0.51 1.21 -0.25 0.00 0.00 175.52 177.73 1oww n GLU 10 N -3.51 -3.07 -3.05 4.72 2.13 -1.26 -5.02 120.64 111.57 1oww n GLU 10 Ca -0.04 0.54 -0.13 0.00 0.66 0.00 0.00 57.16 58.19 1oww n GLU 10 Cb 0.93 -4.48 -0.04 0.00 0.27 0.00 0.00 31.44 28.13 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 -3.24 -0.48 0.10 6.31 -4.23 -1.26 -4.94 115.64 107.89 1oww s THR 11 Ca 0.12 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1oww s THR 11 Cb -0.02 -0.49 -0.20 0.00 1.34 0.00 0.00 72.50 73.14 1oww s THR 11 CO 0.46 -0.48 1.25 1.55 -0.54 0.00 0.00 174.62 176.87 1oww h PRO 12 N 5.51 0.69 -2.71 3.99 0.13 -1.88 -3.47 132.00 134.25 1oww h PRO 12 Ca 0.13 -0.67 -0.40 0.00 -0.87 0.00 0.00 66.00 64.19 1oww h PRO 12 Cb 1.04 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1oww h PRO 12 CO 0.15 1.27 -0.50 0.43 -0.23 0.00 0.00 178.00 179.12 1oww n SER 13 N -3.87 -5.71 -3.75 1.44 7.64 -1.26 -4.85 113.62 103.26 1oww n SER 13 Ca -0.09 0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.68 1oww n SER 13 Cb 0.83 -4.75 -0.10 0.00 -1.01 0.00 0.00 64.21 59.18 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 -4.90 0.46 0.11 1.43 -0.21 -1.26 -5.09 119.66 110.19 1oww s GLN 14 Ca 0.00 0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.92 1oww s GLN 14 Cb 0.00 0.22 -0.17 0.00 1.00 0.00 0.00 33.01 34.06 1oww s GLN 14 CO 0.00 -0.07 1.16 -1.00 -2.12 0.00 0.00 175.29 173.26 1oww h PRO 15 N 5.39 0.00 0.00 2.91 0.13 -1.94 -3.37 132.00 135.12 1oww h PRO 15 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1oww h PRO 15 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oww h PRO 15 CO 0.29 0.80 -0.77 0.09 -0.23 0.00 0.00 178.00 178.17 1oww n ASN 16 N -3.25 3.87 -4.57 1.44 5.03 -1.26 -3.23 115.26 113.28 1oww n ASN 16 Ca -0.03 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.07 1oww n ASN 16 Cb 0.93 0.77 -0.11 0.00 -1.02 0.00 0.00 39.78 40.34 1oww n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1oww s SER 17 N -1.57 4.92 -0.36 6.41 1.04 -1.26 -1.18 113.70 121.70 1oww s SER 17 Ca 0.00 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1oww s SER 17 Cb 0.00 -1.57 0.11 0.00 0.10 0.00 0.00 66.02 64.66 1oww s SER 17 CO 0.00 0.27 0.10 -2.28 0.98 0.00 0.00 173.24 172.31 1oww s HIS 18 N -0.24 3.21 -0.07 5.02 2.46 -0.44 -4.47 115.29 120.76 1oww s HIS 18 Ca 0.05 -2.76 -0.30 0.00 0.47 0.00 0.00 55.06 52.52 1oww s HIS 18 Cb -0.13 -2.63 -0.02 0.00 -0.13 0.00 0.00 32.58 29.68 1oww s HIS 18 CO 0.02 -0.90 1.00 -1.25 -2.47 0.00 0.00 174.74 171.14 1oww s PRO 19 N 0.86 4.47 0.36 2.88 0.04 -1.26 -2.20 135.00 140.14 1oww s PRO 19 Ca 0.12 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.64 1oww s PRO 19 Cb -0.20 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1oww s PRO 19 CO -0.10 -0.21 0.19 0.96 0.04 0.00 0.00 177.00 177.88 1oww s ILE 20 N 1.63 2.95 0.07 0.56 -4.36 -0.39 -4.95 121.20 116.71 1oww s ILE 20 Ca 0.50 -1.62 -0.00 0.00 -0.26 0.00 0.00 60.65 59.27 1oww s ILE 20 Cb -0.19 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 1oww s ILE 20 CO 0.22 -0.14 -0.04 -1.10 0.24 0.00 0.00 174.94 174.12 1oww s GLN 21 N -3.90 0.69 0.21 0.37 -0.21 -1.25 -2.14 119.66 113.44 1oww s GLN 21 Ca 0.40 -1.26 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 1oww s GLN 21 Cb -0.02 0.06 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 1oww s GLN 21 CO 0.24 -0.08 0.27 1.67 -2.12 0.00 0.00 175.29 175.27 1oww s TRP 22 N -3.82 0.79 -0.10 0.91 -2.14 -0.61 -1.32 118.94 112.66 1oww s TRP 22 Ca 0.09 -1.08 -0.07 0.00 2.66 0.00 0.00 56.10 57.70 1oww s TRP 22 Cb 0.07 -0.23 0.03 0.00 -3.10 0.00 0.00 33.47 30.24 1oww s TRP 22 CO -0.08 -0.78 0.24 1.21 -2.66 0.00 0.00 176.95 174.88 1oww s ASN 23 N -3.09 -0.26 0.71 -2.66 2.47 -0.28 -4.69 114.94 107.15 1oww s ASN 23 Ca 0.31 0.50 -0.09 0.00 0.42 0.00 0.00 52.86 54.00 1oww s ASN 23 Cb 0.04 0.47 0.04 0.00 -1.45 0.00 0.00 41.25 40.35 1oww s ASN 23 CO 0.10 -0.11 1.06 0.00 -3.72 0.00 0.00 177.10 174.42 1oww s ALA 24 N 0.53 2.98 1.25 1.71 0.00 -1.26 -1.55 121.76 125.42 1oww s ALA 24 Ca -0.03 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1oww s ALA 24 Cb -0.05 -2.80 0.30 0.00 0.00 0.00 0.00 23.12 20.57 1oww s ALA 24 CO -0.03 -1.27 1.04 -2.14 0.00 0.00 0.00 175.76 173.36 1oww s PRO 25 N -5.32 -1.59 -0.06 0.00 0.02 -1.26 -4.84 135.00 121.95 1oww s PRO 25 Ca 0.59 0.16 -0.24 0.00 0.02 0.00 0.00 61.00 61.53 1oww s PRO 25 Cb -0.11 -1.53 -0.29 0.00 0.02 0.00 0.00 34.50 32.59 1oww s PRO 25 CO 0.48 -4.00 0.90 0.37 -0.33 0.00 0.00 177.00 174.42 1oww h GLN 26 N -2.79 0.23 -7.05 5.54 -0.00 -2.00 -3.45 115.11 105.58 1oww h GLN 26 Ca -0.48 -0.36 -0.52 0.00 -0.00 0.00 0.00 58.65 57.29 1oww h GLN 26 Cb 1.32 0.13 0.09 0.00 0.00 0.00 0.00 27.48 29.02 1oww h GLN 26 CO 0.37 1.14 0.50 -2.14 0.00 0.00 0.00 178.83 178.70 1oww s PRO 27 N -2.53 3.34 -1.03 -2.39 0.02 -1.26 -4.93 135.00 126.22 1oww s PRO 27 Ca -0.15 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 1oww s PRO 27 Cb 0.00 -2.17 0.32 0.00 0.02 0.00 0.00 34.50 32.67 1oww s PRO 27 CO 0.79 -0.92 1.69 0.43 -0.33 0.00 0.00 177.00 178.65 1oww n SER 28 N -1.05 6.96 -0.39 2.53 7.64 -1.26 -4.43 113.62 123.62 1oww n SER 28 Ca 0.10 -3.60 0.06 0.00 1.01 0.00 0.00 58.87 56.44 1oww n SER 28 Cb 0.48 -1.18 0.03 0.00 -1.01 0.00 0.00 64.21 62.54 1oww n SER 28 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1oww n HIS 29 N 0.36 0.00 -3.69 1.43 -0.00 -1.26 -4.93 115.22 107.14 1oww n HIS 29 Ca 0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.76 1oww n HIS 29 Cb 0.29 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.19 1oww n HIS 29 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1oww s ILE 30 N -1.12 5.35 0.00 3.57 1.09 -1.26 -2.32 121.20 126.50 1oww s ILE 30 Ca 0.12 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 1oww s ILE 30 Cb 0.09 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 38.01 1oww s ILE 30 CO 0.19 0.37 0.00 -1.20 -0.10 0.00 0.00 174.94 174.20 1oww n SER 31 N 4.09 0.00 -4.96 3.58 7.64 -0.25 -4.91 113.62 118.82 1oww n SER 31 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.50 1oww n SER 31 Cb 0.52 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1oww s LYS 32 N 0.00 2.53 -0.05 1.43 1.02 -1.00 -3.67 119.74 120.00 1oww s LYS 32 Ca 0.00 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1oww s LYS 32 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1oww s LYS 32 CO 0.00 -0.80 -0.16 0.71 -0.92 0.00 0.00 175.35 174.19 1oww s TYR 33 N -2.87 1.63 -0.13 3.18 2.02 -0.97 -2.17 117.35 118.04 1oww s TYR 33 Ca 0.57 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 1oww s TYR 33 Cb -0.10 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 1oww s TYR 33 CO 0.40 -0.20 -0.20 0.42 -1.57 0.00 0.00 175.55 174.41 1oww s ILE 34 N 0.21 2.34 -0.11 2.71 1.01 0.04 -1.20 121.20 126.21 1oww s ILE 34 Ca -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1oww s ILE 34 Cb -0.13 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1oww s ILE 34 CO 0.03 0.54 0.02 -0.76 0.00 0.00 0.00 174.94 174.77 1oww s LEU 35 N 0.64 3.66 0.10 2.97 1.43 -0.90 -1.12 118.68 125.47 1oww s LEU 35 Ca -0.10 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1oww s LEU 35 Cb -0.16 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1oww s LEU 35 CO 0.02 0.34 -0.10 0.00 0.23 0.00 0.00 176.35 176.84 1oww s ARG 36 N -0.63 0.86 -0.13 1.70 3.03 -0.18 -0.96 118.95 122.63 1oww s ARG 36 Ca 0.11 -1.18 -0.16 0.00 2.03 0.00 0.00 55.73 56.53 1oww s ARG 36 Cb -0.12 -0.53 0.04 0.00 -1.03 0.00 0.00 34.95 33.31 1oww s ARG 36 CO 0.02 0.08 0.43 1.67 -1.13 0.00 0.00 175.30 176.37 1oww s TRP 37 N -2.51 -0.44 0.01 5.89 -2.14 -0.85 -1.20 118.94 117.70 1oww s TRP 37 Ca 0.06 1.01 0.03 0.00 2.66 0.00 0.00 56.10 59.87 1oww s TRP 37 Cb -0.02 0.17 -0.01 0.00 -3.10 0.00 0.00 33.47 30.50 1oww s TRP 37 CO -0.00 -0.28 -0.10 0.50 -2.66 0.00 0.00 176.95 174.41 1oww s ARG 38 N -0.13 0.76 -0.06 3.25 3.52 -0.69 -2.21 118.95 123.39 1oww s ARG 38 Ca -0.03 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 1oww s ARG 38 Cb -0.03 -0.72 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 1oww s ARG 38 CO 0.02 0.19 1.39 -1.25 -0.81 0.00 0.00 175.30 174.84 1oww s PRO 39 N -0.50 4.26 -0.91 5.12 0.04 -1.26 -1.14 135.00 140.62 1oww s PRO 39 Ca 0.02 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1oww s PRO 39 Cb -0.05 -3.70 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 1oww s PRO 39 CO -0.00 -0.65 2.07 1.17 0.04 0.00 0.00 177.00 179.63 1oww n LYS 40 N 6.03 1.95 -0.25 4.56 4.81 -0.65 -2.96 118.16 131.66 1oww n LYS 40 Ca 0.14 -1.66 0.00 0.00 -0.87 0.00 0.00 58.31 55.92 1oww n LYS 40 Cb 0.44 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1oww n LYS 40 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1oww n ASN 41 N 5.41 0.00 -3.67 3.14 0.23 -1.26 -4.88 115.26 114.22 1oww n ASN 41 Ca 0.47 -0.93 -0.09 0.00 -0.53 0.00 0.00 54.58 53.51 1oww n ASN 41 Cb 0.24 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.92 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oww s SER 42 N 0.00 -0.38 -0.27 0.53 1.04 -1.16 -5.05 113.70 108.41 1oww s SER 42 Ca 0.00 -0.34 0.21 0.00 0.48 0.00 0.00 55.95 56.30 1oww s SER 42 Cb 0.00 0.66 0.50 0.00 0.10 0.00 0.00 66.02 67.28 1oww s SER 42 CO 0.00 -1.16 1.11 1.33 0.98 0.00 0.00 173.24 175.50 1oww n VAL 43 N -0.42 1.39 0.00 5.02 0.24 -1.26 -4.90 118.33 118.40 1oww n VAL 43 Ca -0.09 -3.08 0.00 0.00 -2.04 0.00 0.00 64.34 59.12 1oww n VAL 43 Cb 0.62 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.58 0.77 4.03 7.63 0.00 -1.26 -5.08 105.19 110.70 1oww n GLY 44 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1oww n GLY 44 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oww s ARG 45 N 1.42 2.10 0.28 1.61 1.70 -1.26 -5.15 118.95 119.66 1oww s ARG 45 Ca 0.00 -1.54 -0.14 0.00 -0.47 0.00 0.00 55.73 53.58 1oww s ARG 45 Cb 0.00 -2.56 0.01 0.00 -0.57 0.00 0.00 34.95 31.82 1oww s ARG 45 CO 0.00 -1.05 0.56 1.67 -1.08 0.00 0.00 175.30 175.39 1oww s TRP 46 N -2.81 0.30 0.21 5.89 1.48 -1.26 -4.87 118.94 117.88 1oww s TRP 46 Ca 0.63 -0.70 0.08 0.00 -1.06 0.00 0.00 56.10 55.05 1oww s TRP 46 Cb -0.05 0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 32.54 1oww s TRP 46 CO 0.41 -1.11 0.04 0.15 -4.06 0.00 0.00 176.95 172.37 1oww s LYS 47 N -3.74 2.49 0.12 3.25 1.02 -0.94 -5.02 119.74 116.92 1oww s LYS 47 Ca 0.20 -1.18 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 1oww s LYS 47 Cb -0.02 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1oww s LYS 47 CO 0.10 0.42 0.31 -1.83 -0.92 0.00 0.00 175.35 173.43 1oww s GLU 48 N -3.32 1.00 0.07 1.68 4.04 -1.26 -2.01 118.70 118.90 1oww s GLU 48 Ca 0.30 -0.85 0.00 0.00 0.04 0.00 0.00 54.97 54.46 1oww s GLU 48 Cb -0.08 0.41 -0.04 0.00 0.02 0.00 0.00 34.13 34.44 1oww s GLU 48 CO 0.20 -0.37 -0.05 0.00 -1.84 0.00 0.00 175.26 173.21 1oww s ALA 49 N -3.84 0.72 -0.16 -0.84 0.00 -0.13 -5.00 121.76 112.50 1oww s ALA 49 Ca 0.05 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1oww s ALA 49 Cb 0.03 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1oww s ALA 49 CO -0.10 -0.31 -0.17 0.99 0.00 0.00 0.00 175.76 176.17 1oww s THR 50 N -3.75 2.45 -0.11 0.00 2.01 -1.26 -2.11 115.64 112.87 1oww s THR 50 Ca 0.09 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1oww s THR 50 Cb 0.07 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1oww s THR 50 CO -0.08 0.52 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.63 1oww s ILE 51 N 1.01 3.28 1.01 1.82 1.09 -0.34 -5.02 121.20 124.04 1oww s ILE 51 Ca -0.02 -0.60 -0.12 0.00 -1.10 0.00 0.00 60.65 58.81 1oww s ILE 51 Cb -0.15 -2.36 0.19 0.00 -1.06 0.00 0.00 42.46 39.09 1oww s ILE 51 CO -0.04 0.54 1.08 -2.84 -0.10 0.00 0.00 174.94 173.58 1oww s PRO 52 N -0.05 0.35 0.45 2.79 0.02 -1.26 -2.30 135.00 135.00 1oww s PRO 52 Ca -0.02 0.91 0.27 0.00 0.02 0.00 0.00 61.00 62.18 1oww s PRO 52 Cb -0.14 -1.70 0.80 0.00 0.02 0.00 0.00 34.50 33.49 1oww s PRO 52 CO 0.04 -2.89 1.77 0.78 -0.33 0.00 0.00 177.00 176.37 1oww h GLY 53 N -2.02 0.00 1.70 0.52 0.00 -1.91 -3.10 103.07 98.26 1oww h GLY 53 Ca -0.53 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 1oww h GLY 53 CO 0.51 0.00 -0.87 1.12 0.00 0.00 0.00 176.54 177.30 1oww h HIS 54 N 0.00 0.00 -3.36 5.60 2.07 -1.92 -3.43 115.15 114.10 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 0.76 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.67 1oww h HIS 54 CO 0.00 0.63 0.03 -0.51 -3.07 0.00 0.00 177.93 175.00 1oww s LEU 55 N -6.31 4.28 -0.01 6.12 1.43 -1.17 -4.94 118.68 118.08 1oww s LEU 55 Ca 0.01 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1oww s LEU 55 Cb 0.08 -2.93 0.10 0.00 0.03 0.00 0.00 46.19 43.47 1oww s LEU 55 CO 0.78 -0.11 1.08 -0.46 0.23 0.00 0.00 176.35 177.87 1oww n ASN 56 N 3.96 2.29 -4.04 2.29 0.23 -1.26 -4.72 115.26 114.01 1oww n ASN 56 Ca -0.03 -2.07 -0.08 0.00 -0.53 0.00 0.00 54.58 51.87 1oww n ASN 56 Cb 0.51 -0.09 -0.09 0.00 -2.08 0.00 0.00 39.78 38.03 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 -1.10 0.34 0.09 0.53 1.04 -1.26 -1.57 113.70 111.76 1oww s SER 57 Ca 0.08 -0.95 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 1oww s SER 57 Cb 0.05 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1oww s SER 57 CO 0.04 -0.67 0.02 -0.47 0.98 0.00 0.00 173.24 173.14 1oww s TYR 58 N -3.93 0.63 -0.21 5.02 5.04 -0.91 -5.00 117.35 117.99 1oww s TYR 58 Ca 0.10 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 1oww s TYR 58 Cb 0.07 -0.40 0.05 0.00 0.35 0.00 0.00 41.96 42.03 1oww s TYR 58 CO -0.07 -0.45 -0.06 0.99 -1.34 0.00 0.00 175.55 174.61 1oww s THR 59 N -3.97 1.46 0.17 4.34 2.01 -1.26 -1.26 115.64 117.13 1oww s THR 59 Ca 0.14 -1.06 -0.24 0.00 0.31 0.00 0.00 61.69 60.84 1oww s THR 59 Cb 0.08 -1.68 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 1oww s THR 59 CO -0.05 -0.00 0.75 -0.63 -0.69 0.00 0.00 174.62 174.00 1oww s ILE 60 N 1.44 4.43 0.09 1.82 1.01 -0.94 -4.96 121.20 124.09 1oww s ILE 60 Ca -0.04 1.60 -0.03 0.00 0.00 0.00 0.00 60.65 62.19 1oww s ILE 60 Cb -0.18 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1oww s ILE 60 CO -0.07 0.48 0.05 -0.54 0.00 0.00 0.00 174.94 174.85 1oww s LYS 61 N -1.28 0.78 -0.27 2.79 1.02 -1.26 -1.33 119.74 120.20 1oww s LYS 61 Ca 0.36 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 1oww s LYS 61 Cb -0.22 0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1oww s LYS 61 CO 0.25 -0.20 0.23 0.41 -0.92 0.00 0.00 175.35 175.11 1oww n GLY 62 N -0.00 0.34 1.62 -3.33 0.00 -1.05 -4.96 105.19 97.81 1oww n GLY 62 Ca -0.11 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1oww n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oww n LEU 63 N -1.83 0.00 -4.74 0.99 4.77 -0.33 -5.05 117.00 110.81 1oww n LEU 63 Ca -0.04 -1.33 -0.22 0.00 -0.03 0.00 0.00 56.01 54.38 1oww n LEU 63 Cb 0.53 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1oww n LEU 63 CO 0.14 -0.29 -0.23 -0.54 -1.33 0.00 0.00 177.39 175.14 1oww s LYS 64 N -2.88 2.60 0.56 3.23 1.02 -1.26 -4.51 119.74 118.49 1oww s LYS 64 Ca 0.06 -1.27 -0.12 0.00 0.02 0.00 0.00 55.97 54.66 1oww s LYS 64 Cb -0.00 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1oww s LYS 64 CO 0.04 0.33 0.97 -1.25 -0.92 0.00 0.00 175.35 174.52 1oww s PRO 65 N -3.79 3.71 -1.80 -1.68 0.04 -1.20 -4.45 135.00 125.83 1oww s PRO 65 Ca 0.33 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1oww s PRO 65 Cb -0.07 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1oww s PRO 65 CO 0.23 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1oww n GLY 66 N -2.24 -0.07 3.46 0.56 0.00 -0.86 -4.98 105.19 101.06 1oww n GLY 66 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.95 2.87 -0.18 1.61 0.11 -1.14 -5.00 120.40 115.71 1oww s VAL 67 Ca 0.00 -0.99 -0.09 0.00 -2.93 0.00 0.00 61.98 57.97 1oww s VAL 67 Cb 0.00 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.64 1oww s VAL 67 CO 0.00 0.45 0.12 0.54 -3.33 0.00 0.00 175.10 172.88 1oww s VAL 68 N -0.83 5.28 0.12 2.04 0.11 -1.26 -1.43 120.40 124.42 1oww s VAL 68 Ca 0.13 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 1oww s VAL 68 Cb -0.11 -3.39 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 1oww s VAL 68 CO 0.03 0.47 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.84 1oww s TYR 69 N 0.15 2.65 0.08 1.54 2.02 -0.51 -1.63 117.35 121.65 1oww s TYR 69 Ca 0.08 -0.20 -0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1oww s TYR 69 Cb -0.11 -1.38 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 1oww s TYR 69 CO -0.01 0.43 0.40 -1.83 -1.57 0.00 0.00 175.55 172.97 1oww s GLU 70 N -2.29 3.75 0.06 -0.62 -1.05 -0.29 -1.94 118.70 116.33 1oww s GLU 70 Ca 0.21 0.16 0.01 0.00 -0.15 0.00 0.00 54.97 55.20 1oww s GLU 70 Cb -0.11 -2.99 -0.03 0.00 -0.44 0.00 0.00 34.13 30.56 1oww s GLU 70 CO 0.13 0.56 -0.06 0.20 0.95 0.00 0.00 175.26 177.04 1oww s GLY 71 N -1.79 0.55 -0.16 -3.83 0.00 -0.92 -1.70 107.32 99.46 1oww s GLY 71 Ca 0.33 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 1oww s GLY 71 CO 0.18 -1.10 0.41 1.62 0.00 0.00 0.00 173.10 174.21 1oww s GLN 72 N -2.76 0.43 -0.36 2.90 0.74 -0.34 -2.16 119.66 118.11 1oww s GLN 72 Ca -0.00 0.67 0.03 0.00 0.05 0.00 0.00 55.36 56.10 1oww s GLN 72 Cb -0.01 0.11 0.11 0.00 1.10 0.00 0.00 33.01 34.31 1oww s GLN 72 CO -0.04 -0.11 0.10 -1.17 -0.55 0.00 0.00 175.29 173.53 1oww s LEU 73 N 0.79 3.89 0.01 3.68 2.96 -0.05 -1.01 118.68 128.94 1oww s LEU 73 Ca -0.05 -2.18 -0.17 0.00 -0.22 0.00 0.00 54.13 51.52 1oww s LEU 73 Cb -0.06 -1.39 -0.06 0.00 0.50 0.00 0.00 46.19 45.19 1oww s LEU 73 CO -0.06 -0.36 0.47 -0.63 -1.32 0.00 0.00 176.35 174.45 1oww s ILE 74 N 0.88 4.96 -0.30 6.68 1.01 -0.28 -1.60 121.20 132.57 1oww s ILE 74 Ca 0.12 0.98 -0.04 0.00 0.00 0.00 0.00 60.65 61.71 1oww s ILE 74 Cb -0.20 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1oww s ILE 74 CO -0.11 0.54 0.02 -0.44 0.00 0.00 0.00 174.94 174.95 1oww s SER 75 N -0.86 4.89 -0.03 3.58 0.01 0.30 -0.78 113.70 120.81 1oww s SER 75 Ca 0.26 -1.05 -0.20 0.00 1.31 0.00 0.00 55.95 56.27 1oww s SER 75 Cb -0.17 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 1oww s SER 75 CO 0.15 -0.23 0.57 -0.63 0.41 0.00 0.00 173.24 173.51 1oww s ILE 76 N 1.35 4.97 0.25 1.44 1.09 -0.92 -1.39 121.20 127.99 1oww s ILE 76 Ca -0.02 1.18 0.05 0.00 -1.10 0.00 0.00 60.65 60.76 1oww s ILE 76 Cb -0.18 -3.91 -0.03 0.00 -1.06 0.00 0.00 42.46 37.28 1oww s ILE 76 CO -0.00 0.40 0.38 -1.10 -0.10 0.00 0.00 174.94 174.52 1oww s GLN 77 N -0.05 3.44 -0.33 2.79 -0.21 -0.61 -1.09 119.66 123.60 1oww s GLN 77 Ca 0.30 -0.72 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 1oww s GLN 77 Cb -0.18 -2.86 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 1oww s GLN 77 CO 0.16 0.39 1.73 1.14 -2.12 0.00 0.00 175.29 176.59 1oww s GLN 78 N -4.02 3.41 -1.50 2.91 -2.07 -0.98 -3.44 119.66 113.97 1oww s GLN 78 Ca 0.35 1.38 -0.12 0.00 -1.82 0.00 0.00 55.36 55.15 1oww s GLN 78 Cb -0.09 -4.16 0.07 0.00 -1.09 0.00 0.00 33.01 27.74 1oww s GLN 78 CO 0.30 -1.77 0.98 0.66 -1.32 0.00 0.00 175.29 174.15 1oww n TYR 79 N 9.92 -2.33 0.00 9.60 4.01 -1.26 -4.77 117.16 132.32 1oww n TYR 79 Ca 0.22 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 1oww n TYR 79 Cb 0.47 -4.11 0.00 0.00 -0.31 0.00 0.00 39.34 35.38 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 -1.72 1.27 2.31 2.72 0.00 -1.22 -5.18 105.19 103.37 1oww n GLY 80 Ca 0.01 0.36 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.89 -3.78 1.61 8.25 -1.26 -4.83 115.22 111.33 1oww n HIS 81 Ca 0.00 -0.75 -0.13 0.00 -0.26 0.00 0.00 57.72 56.58 1oww n HIS 81 Cb 0.00 -0.59 -0.11 0.00 1.12 0.00 0.00 29.99 30.41 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 -4.65 0.39 -0.07 -0.41 -2.07 -1.26 -1.57 119.66 110.02 1oww s GLN 82 Ca 0.44 0.26 0.01 0.00 -1.82 0.00 0.00 55.36 54.25 1oww s GLN 82 Cb -0.01 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 1oww s GLN 82 CO 0.31 -0.06 -0.07 -2.00 -1.32 0.00 0.00 175.29 172.14 1oww s GLU 83 N -0.16 2.77 -0.04 9.60 2.56 -0.48 -4.97 118.70 127.98 1oww s GLU 83 Ca -0.03 -0.56 0.02 0.00 0.00 0.00 0.00 54.97 54.40 1oww s GLU 83 Cb -0.03 -2.59 -0.03 0.00 2.00 0.00 0.00 34.13 33.48 1oww s GLU 83 CO 0.01 0.64 -0.07 0.54 -0.56 0.00 0.00 175.26 175.82 1oww s VAL 84 N -0.74 3.68 -0.06 3.70 0.11 -1.26 -0.54 120.40 125.28 1oww s VAL 84 Ca 0.11 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1oww s VAL 84 Cb -0.11 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1oww s VAL 84 CO 0.01 0.52 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.31 1oww s THR 85 N -0.88 0.98 0.08 5.04 2.01 -0.62 -4.58 115.64 117.66 1oww s THR 85 Ca 0.14 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1oww s THR 85 Cb -0.11 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1oww s THR 85 CO 0.04 0.32 -0.09 0.00 -0.69 0.00 0.00 174.62 174.21 1oww s ARG 86 N 0.79 0.73 0.14 4.92 1.70 -1.26 -0.87 118.95 125.10 1oww s ARG 86 Ca -0.12 -1.06 -0.10 0.00 -0.47 0.00 0.00 55.73 53.98 1oww s ARG 86 Cb -0.15 -0.37 0.04 0.00 -0.57 0.00 0.00 34.95 33.89 1oww s ARG 86 CO 0.02 0.05 0.50 1.97 -1.08 0.00 0.00 175.30 176.76 1oww n PHE 87 N 0.75 -1.27 -4.08 5.89 1.16 -0.92 -5.02 117.46 113.97 1oww n PHE 87 Ca -0.18 -0.79 -0.07 0.00 -1.87 0.00 0.00 57.45 54.54 1oww n PHE 87 Cb 0.57 0.39 -0.10 0.00 -1.61 0.00 0.00 39.48 38.73 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 -2.22 0.47 0.21 5.98 -4.77 -1.26 -2.15 116.67 112.93 1oww s ASP 88 Ca 0.11 -0.97 -0.06 0.00 -3.30 0.00 0.00 52.55 48.33 1oww s ASP 88 Cb -0.02 0.20 -0.02 0.00 -1.09 0.00 0.00 42.92 41.98 1oww s ASP 88 CO 0.04 -0.59 0.26 0.72 0.70 0.00 0.00 175.17 176.31 1oww s PHE 89 N -3.79 0.79 -0.04 2.11 -0.71 -0.82 -4.89 117.98 110.64 1oww s PHE 89 Ca 0.06 -1.08 0.04 0.00 -1.04 0.00 0.00 56.93 54.91 1oww s PHE 89 Cb 0.07 -0.25 -0.00 0.00 -1.21 0.00 0.00 43.02 41.63 1oww s PHE 89 CO -0.10 -0.76 -0.17 0.99 -1.34 0.00 0.00 175.22 173.85 1oww s THR 90 N -4.09 1.38 -0.38 -4.49 2.01 -1.26 -1.43 115.64 107.38 1oww s THR 90 Ca 0.30 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1oww s THR 90 Cb 0.04 -1.18 0.06 0.00 0.01 0.00 0.00 72.50 71.42 1oww s THR 90 CO 0.09 0.40 0.19 -0.89 -0.69 0.00 0.00 174.62 173.72 1oww s THR 91 N 0.01 4.09 0.12 -0.82 2.01 -0.52 -4.72 115.64 115.82 1oww s THR 91 Ca -0.03 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.75 1oww s THR 91 Cb -0.11 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1oww s THR 91 CO 0.02 -0.34 0.00 0.41 -0.69 0.00 0.00 174.62 174.01 1oww n THR 92 N 4.88 -1.29 -0.57 -0.82 -1.04 -1.26 -2.02 114.28 112.16 1oww n THR 92 Ca -0.11 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1oww n THR 92 Cb 0.44 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1oww n THR 92 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23