#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 -0.86 3.75 5.00 0.00 -1.26 -5.16 105.19 106.66 1oww n GLY 2 Ca 0.00 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 3.05 0.52 1.61 0.02 -1.26 -4.97 135.00 131.97 1oww s PRO 3 Ca 0.00 2.24 -0.18 0.00 0.02 0.00 0.00 61.00 63.08 1oww s PRO 3 Cb 0.00 -2.20 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 1oww s PRO 3 CO 0.00 -1.26 1.01 0.08 -0.33 0.00 0.00 177.00 176.50 1oww s VAL 4 N -1.30 4.17 -0.67 3.83 1.01 -1.26 -5.00 120.40 121.17 1oww s VAL 4 Ca 0.73 1.13 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 1oww s VAL 4 Cb -0.41 -3.56 0.17 0.00 0.00 0.00 0.00 36.38 32.59 1oww s VAL 4 CO 0.47 -0.50 0.62 -1.61 0.00 0.00 0.00 175.10 174.08 1oww s GLU 5 N -3.80 3.26 -0.08 2.72 2.02 -0.91 -4.96 118.70 116.96 1oww s GLU 5 Ca 0.62 -2.07 0.03 0.00 0.02 0.00 0.00 54.97 53.57 1oww s GLU 5 Cb -0.13 -4.35 -0.02 0.00 0.10 0.00 0.00 34.13 29.74 1oww s GLU 5 CO 0.28 -1.31 -0.16 0.54 0.02 0.00 0.00 175.26 174.64 1oww s VAL 6 N 0.90 2.86 0.28 2.63 0.11 -1.26 -0.90 120.40 125.02 1oww s VAL 6 Ca 0.10 -0.77 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1oww s VAL 6 Cb -0.21 -2.13 -0.08 0.00 -1.53 0.00 0.00 36.38 32.43 1oww s VAL 6 CO -0.03 0.57 0.70 -0.36 -3.33 0.00 0.00 175.10 172.65 1oww s PHE 7 N -0.29 3.44 0.04 1.54 0.08 -0.54 -5.00 117.98 117.25 1oww s PHE 7 Ca 0.02 1.19 0.09 0.00 0.12 0.00 0.00 56.93 58.35 1oww s PHE 7 Cb -0.13 -2.50 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1oww s PHE 7 CO 0.03 0.18 -0.26 0.42 -0.10 0.00 0.00 175.22 175.48 1oww s ILE 8 N -1.85 2.13 -0.32 0.64 1.01 -1.26 -4.37 121.20 117.17 1oww s ILE 8 Ca 0.50 -1.38 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1oww s ILE 8 Cb -0.12 -1.82 0.10 0.00 0.01 0.00 0.00 42.46 40.63 1oww s ILE 8 CO 0.19 0.37 0.08 0.42 0.00 0.00 0.00 174.94 176.00 1oww s THR 9 N -0.80 1.47 -0.44 2.92 -4.23 -1.26 -4.95 115.64 108.35 1oww s THR 9 Ca 0.12 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1oww s THR 9 Cb -0.10 -2.10 0.53 0.00 1.34 0.00 0.00 72.50 72.17 1oww s THR 9 CO 0.02 -0.65 1.71 -0.62 -0.54 0.00 0.00 174.62 174.55 1oww n GLU 10 N 4.58 2.44 -2.96 3.99 1.02 -1.26 -4.36 120.64 124.09 1oww n GLU 10 Ca 0.01 -3.31 -0.27 0.00 -0.02 0.00 0.00 57.16 53.56 1oww n GLU 10 Cb 0.42 -2.12 -0.01 0.00 -0.02 0.00 0.00 31.44 29.71 1oww n GLU 10 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oww s THR 11 N -3.90 4.95 -1.17 2.62 -4.23 -1.26 -4.99 115.64 107.66 1oww s THR 11 Ca 0.55 0.12 -0.21 0.00 -1.18 0.00 0.00 61.69 60.97 1oww s THR 11 Cb 0.46 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.52 1oww s THR 11 CO 0.03 -0.63 1.67 -2.16 -0.54 0.00 0.00 174.62 173.00 1oww s PRO 12 N -4.26 3.62 -0.08 3.99 0.04 -1.26 -4.46 135.00 132.59 1oww s PRO 12 Ca 0.46 -1.51 0.06 0.00 0.04 0.00 0.00 61.00 60.04 1oww s PRO 12 Cb -0.10 -5.42 0.14 0.00 0.04 0.00 0.00 34.50 29.16 1oww s PRO 12 CO 0.38 -2.48 1.13 0.43 0.04 0.00 0.00 177.00 176.49 1oww n SER 13 N 9.50 -0.83 -3.48 6.66 7.64 -0.97 -4.75 113.62 127.39 1oww n SER 13 Ca 0.43 -2.04 -0.28 0.00 1.01 0.00 0.00 58.87 57.98 1oww n SER 13 Cb 0.48 0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.08 0.77 0.00 1.43 1.11 -0.79 -4.97 119.66 117.13 1oww s GLN 14 Ca 0.06 -1.67 0.28 0.00 0.01 0.00 0.00 55.36 54.04 1oww s GLN 14 Cb 0.14 -1.49 1.15 0.00 -1.01 0.00 0.00 33.01 31.80 1oww s GLN 14 CO -0.04 -1.26 1.80 -0.35 0.01 0.00 0.00 175.29 175.45 1oww n PRO 15 N 3.59 1.04 0.00 2.91 -0.04 -1.26 -2.61 135.00 138.63 1oww n PRO 15 Ca 0.17 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1oww n PRO 15 Cb 0.40 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1oww n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1oww n ASN 16 N -0.56 0.00 -4.15 3.54 0.23 -1.26 -4.48 115.26 108.57 1oww n ASN 16 Ca 0.16 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.96 1oww n ASN 16 Cb 0.30 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.84 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 -0.98 2.08 -0.25 0.53 1.04 -1.26 -1.57 113.70 113.29 1oww s SER 17 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1oww s SER 17 Cb 0.00 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.79 1oww s SER 17 CO 0.00 0.19 -0.09 -2.28 0.98 0.00 0.00 173.24 172.04 1oww s HIS 18 N -0.24 3.10 -0.01 5.02 2.46 -0.54 -4.54 115.29 120.55 1oww s HIS 18 Ca 0.03 -1.86 -0.30 0.00 0.47 0.00 0.00 55.06 53.40 1oww s HIS 18 Cb -0.09 -2.00 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1oww s HIS 18 CO 0.00 -0.80 1.06 -1.25 -2.47 0.00 0.00 174.74 171.28 1oww s PRO 19 N 1.24 4.48 -0.12 2.88 0.04 -1.26 -1.65 135.00 140.61 1oww s PRO 19 Ca -0.03 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1oww s PRO 19 Cb -0.17 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1oww s PRO 19 CO -0.06 -0.19 0.02 0.42 0.04 0.00 0.00 177.00 177.24 1oww s ILE 20 N 1.35 4.46 0.03 0.56 -1.09 -1.14 -4.75 121.20 120.61 1oww s ILE 20 Ca 0.53 -0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.79 1oww s ILE 20 Cb -0.23 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1oww s ILE 20 CO 0.26 0.56 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.36 1oww s GLN 21 N -0.41 0.48 0.23 2.79 -0.21 -1.26 -1.29 119.66 119.99 1oww s GLN 21 Ca 0.08 -0.62 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 1oww s GLN 21 Cb -0.12 -0.28 -0.02 0.00 1.00 0.00 0.00 33.01 33.60 1oww s GLN 21 CO 0.02 0.05 0.34 1.67 -2.12 0.00 0.00 175.29 175.25 1oww s TRP 22 N -1.11 0.68 -0.03 0.91 -2.14 -0.89 -1.46 118.94 114.90 1oww s TRP 22 Ca -0.08 -0.98 0.01 0.00 2.66 0.00 0.00 56.10 57.71 1oww s TRP 22 Cb -0.08 -0.11 0.02 0.00 -3.10 0.00 0.00 33.47 30.20 1oww s TRP 22 CO 0.00 -0.86 -0.03 -0.80 -2.66 0.00 0.00 176.95 172.61 1oww s ASN 23 N -3.08 0.66 0.44 -2.66 0.01 -0.08 -4.77 114.94 105.47 1oww s ASN 23 Ca 0.29 -0.08 0.08 0.00 -0.71 0.00 0.00 52.86 52.44 1oww s ASN 23 Cb 0.02 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.41 1oww s ASN 23 CO 0.10 -0.05 0.56 0.00 -1.51 0.00 0.00 177.10 176.20 1oww s ALA 24 N 0.74 4.47 0.99 0.60 0.00 -1.26 -2.14 121.76 125.16 1oww s ALA 24 Ca -0.09 -1.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.01 1oww s ALA 24 Cb -0.12 -1.51 0.18 0.00 0.00 0.00 0.00 23.12 21.68 1oww s ALA 24 CO -0.01 -0.33 1.08 -2.14 0.00 0.00 0.00 175.76 174.37 1oww s PRO 25 N -4.34 0.49 -0.13 0.00 0.02 -1.26 -4.99 135.00 124.79 1oww s PRO 25 Ca 0.54 0.99 -0.13 0.00 0.02 0.00 0.00 61.00 62.42 1oww s PRO 25 Cb -0.08 -1.71 -0.11 0.00 0.02 0.00 0.00 34.50 32.62 1oww s PRO 25 CO 0.33 -2.82 0.29 1.96 -0.33 0.00 0.00 177.00 176.43 1oww h GLN 26 N -1.97 0.00 -7.56 5.54 4.20 -2.02 -3.47 115.11 109.83 1oww h GLN 26 Ca -0.52 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.74 1oww h GLN 26 Cb 1.30 0.00 0.15 0.00 0.30 0.00 0.00 27.48 29.23 1oww h GLN 26 CO 0.50 0.44 0.30 -1.25 -0.67 0.00 0.00 178.83 178.15 1oww s PRO 27 N -1.91 0.56 -0.06 1.46 0.04 -1.26 -4.97 135.00 128.86 1oww s PRO 27 Ca -0.10 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 1oww s PRO 27 Cb -0.01 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1oww s PRO 27 CO 0.31 -2.54 1.32 -1.54 0.04 0.00 0.00 177.00 174.59 1oww s SER 28 N -4.23 6.93 0.04 6.66 1.04 -1.26 -4.62 113.70 118.26 1oww s SER 28 Ca 0.68 1.93 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1oww s SER 28 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1oww s SER 28 CO 0.54 -0.69 0.00 1.57 0.98 0.00 0.00 173.24 175.63 1oww n HIS 29 N 5.67 -2.58 -5.05 5.02 -0.00 -1.26 -5.07 115.22 111.95 1oww n HIS 29 Ca 0.13 0.13 -0.32 0.00 -0.00 0.00 0.00 57.72 57.66 1oww n HIS 29 Cb 0.45 0.76 -0.14 0.00 -0.00 0.00 0.00 29.99 31.05 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 -2.00 2.63 0.00 3.57 1.01 -1.26 -3.49 121.20 121.65 1oww s ILE 30 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1oww s ILE 30 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1oww s ILE 30 CO 0.00 0.57 0.00 -1.20 0.00 0.00 0.00 174.94 174.31 1oww n SER 31 N 2.32 0.00 -4.87 3.58 7.64 -0.36 -4.87 113.62 117.06 1oww n SER 31 Ca -0.17 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.49 1oww n SER 31 Cb 0.52 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.78 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 2.21 0.08 1.43 1.02 -0.89 -4.17 119.74 119.42 1oww s LYS 32 Ca 0.00 -0.79 0.05 0.00 0.02 0.00 0.00 55.97 55.25 1oww s LYS 32 Cb 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1oww s LYS 32 CO 0.00 -1.03 -0.13 0.71 -0.92 0.00 0.00 175.35 173.98 1oww s TYR 33 N -2.97 1.16 -0.06 3.18 2.02 -0.99 -1.92 117.35 117.77 1oww s TYR 33 Ca 0.61 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 1oww s TYR 33 Cb -0.09 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 1oww s TYR 33 CO 0.41 0.05 -0.23 0.42 -1.57 0.00 0.00 175.55 174.63 1oww s ILE 34 N -1.68 1.92 -0.22 2.71 1.01 0.22 -0.79 121.20 124.37 1oww s ILE 34 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 1oww s ILE 34 Cb -0.08 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1oww s ILE 34 CO 0.02 0.54 0.05 -0.76 0.00 0.00 0.00 174.94 174.79 1oww s LEU 35 N -0.02 3.50 -0.11 2.97 1.43 -0.86 -1.01 118.68 124.59 1oww s LEU 35 Ca -0.07 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1oww s LEU 35 Cb -0.14 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1oww s LEU 35 CO 0.04 0.04 -0.11 -0.60 0.23 0.00 0.00 176.35 175.95 1oww s ARG 36 N 1.17 1.83 0.04 1.70 3.52 -0.41 -1.02 118.95 125.76 1oww s ARG 36 Ca 0.04 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1oww s ARG 36 Cb -0.14 -1.68 -0.02 0.00 -1.56 0.00 0.00 34.95 31.54 1oww s ARG 36 CO 0.03 -0.15 -0.07 1.67 -0.81 0.00 0.00 175.30 175.97 1oww s TRP 37 N 1.28 0.59 0.05 5.12 -2.14 -0.41 -0.89 118.94 122.54 1oww s TRP 37 Ca -0.02 -0.52 -0.02 0.00 2.66 0.00 0.00 56.10 58.20 1oww s TRP 37 Cb -0.14 -0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 29.84 1oww s TRP 37 CO -0.04 -0.11 0.01 -0.98 -2.66 0.00 0.00 176.95 173.17 1oww s ARG 38 N -1.62 0.61 0.85 3.25 1.70 -0.35 -1.81 118.95 121.57 1oww s ARG 38 Ca -0.11 -1.07 -0.11 0.00 -0.47 0.00 0.00 55.73 53.97 1oww s ARG 38 Cb -0.10 0.22 0.10 0.00 -0.57 0.00 0.00 34.95 34.60 1oww s ARG 38 CO -0.00 -0.13 1.10 -2.14 -1.08 0.00 0.00 175.30 173.05 1oww s PRO 39 N -3.51 1.65 -0.89 3.89 0.02 -1.26 -1.17 135.00 133.73 1oww s PRO 39 Ca 0.03 0.73 -0.25 0.00 0.02 0.00 0.00 61.00 61.53 1oww s PRO 39 Cb 0.05 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.59 1oww s PRO 39 CO -0.09 -1.94 2.20 -1.59 -0.33 0.00 0.00 177.00 175.25 1oww s LYS 40 N -5.04 1.87 0.00 5.54 -2.85 -0.99 -4.63 119.74 113.64 1oww s LYS 40 Ca 0.62 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.61 1oww s LYS 40 Cb -0.16 -4.92 0.00 0.00 -2.06 0.00 0.00 37.83 30.68 1oww s LYS 40 CO 0.56 -4.27 0.00 0.09 0.10 0.00 0.00 175.35 171.83 1oww n ASN 41 N 17.20 0.00 -5.01 0.03 5.03 -1.26 -5.10 115.26 126.15 1oww n ASN 41 Ca 0.44 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.70 1oww n ASN 41 Cb 0.45 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.25 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1oww s SER 42 N 1.00 5.34 -0.69 6.41 1.04 -1.26 -5.02 113.70 120.52 1oww s SER 42 Ca 0.00 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 1oww s SER 42 Cb 0.00 -0.20 0.43 0.00 0.10 0.00 0.00 66.02 66.35 1oww s SER 42 CO 0.00 -1.08 2.01 1.33 0.98 0.00 0.00 173.24 176.48 1oww n VAL 43 N -2.09 3.60 0.00 5.02 0.24 -1.26 -4.76 118.33 119.08 1oww n VAL 43 Ca 0.12 -3.19 0.00 0.00 -2.04 0.00 0.00 64.34 59.23 1oww n VAL 43 Cb 0.60 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.85 1.44 3.87 7.63 0.00 -1.26 -4.97 105.19 111.05 1oww n GLY 44 Ca 0.61 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.27 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 0.25 3.58 0.41 1.61 0.52 -1.26 -5.10 118.95 118.96 1oww s ARG 45 Ca 0.00 -0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.25 1oww s ARG 45 Cb 0.00 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 1oww s ARG 45 CO 0.00 0.72 0.02 -1.58 0.02 0.00 0.00 175.30 174.48 1oww s TRP 46 N -1.13 2.29 0.07 -0.53 0.52 -1.26 -4.99 118.94 113.92 1oww s TRP 46 Ca 0.21 -0.79 0.01 0.00 0.02 0.00 0.00 56.10 55.55 1oww s TRP 46 Cb -0.13 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1oww s TRP 46 CO 0.10 0.32 0.17 0.15 0.02 0.00 0.00 176.95 177.71 1oww s LYS 47 N -3.77 3.27 0.10 4.98 1.02 -0.75 -5.01 119.74 119.58 1oww s LYS 47 Ca 0.30 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.59 1oww s LYS 47 Cb 0.08 -2.94 0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1oww s LYS 47 CO 0.15 0.59 0.42 -1.83 -0.92 0.00 0.00 175.35 173.76 1oww s GLU 48 N -2.51 1.03 0.07 1.68 1.03 -1.26 -1.29 118.70 117.45 1oww s GLU 48 Ca 0.33 -0.57 -0.00 0.00 0.03 0.00 0.00 54.97 54.76 1oww s GLU 48 Cb -0.13 0.46 -0.04 0.00 -0.80 0.00 0.00 34.13 33.62 1oww s GLU 48 CO 0.26 -0.39 -0.04 0.00 -1.33 0.00 0.00 175.26 173.76 1oww s ALA 49 N -3.34 0.68 -0.18 -0.84 0.00 -0.19 -5.00 121.76 112.88 1oww s ALA 49 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1oww s ALA 49 Cb 0.01 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1oww s ALA 49 CO -0.09 -0.33 -0.13 0.99 0.00 0.00 0.00 175.76 176.20 1oww s THR 50 N -3.82 2.74 -0.15 0.00 2.01 -1.26 -2.03 115.64 113.12 1oww s THR 50 Ca 0.09 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1oww s THR 50 Cb 0.07 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1oww s THR 50 CO -0.08 0.50 0.11 -0.63 -0.69 0.00 0.00 174.62 173.83 1oww s ILE 51 N 1.06 5.26 0.89 1.82 -1.09 0.03 -4.99 121.20 124.18 1oww s ILE 51 Ca -0.01 0.13 -0.10 0.00 -2.23 0.00 0.00 60.65 58.44 1oww s ILE 51 Cb -0.15 -3.33 0.13 0.00 -1.58 0.00 0.00 42.46 37.53 1oww s ILE 51 CO -0.03 0.54 1.12 -2.84 -1.23 0.00 0.00 174.94 172.50 1oww s PRO 52 N -0.40 1.23 0.38 2.79 0.02 -1.26 -2.36 135.00 135.40 1oww s PRO 52 Ca 0.11 1.35 0.25 0.00 0.02 0.00 0.00 61.00 62.73 1oww s PRO 52 Cb -0.12 -1.77 0.62 0.00 0.02 0.00 0.00 34.50 33.26 1oww s PRO 52 CO 0.01 -2.42 1.70 0.78 -0.33 0.00 0.00 177.00 176.75 1oww h GLY 53 N -1.70 0.00 1.62 0.52 0.00 -1.92 -3.09 103.07 98.50 1oww h GLY 53 Ca -0.45 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 1oww h GLY 53 CO 0.46 0.00 -1.01 1.12 0.00 0.00 0.00 176.54 177.10 1oww h HIS 54 N 0.00 0.00 -3.35 5.60 2.07 -1.92 -3.44 115.15 114.11 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 -0.06 0.00 2.57 0.00 0.00 27.41 30.76 1oww h HIS 54 CO 0.00 0.72 -0.01 -0.51 -3.07 0.00 0.00 177.93 175.06 1oww s LEU 55 N -6.31 4.31 -0.09 6.12 1.43 -1.17 -4.94 118.68 118.03 1oww s LEU 55 Ca 0.00 1.05 0.13 0.00 -1.03 0.00 0.00 54.13 54.28 1oww s LEU 55 Cb 0.09 -2.92 0.25 0.00 0.03 0.00 0.00 46.19 43.63 1oww s LEU 55 CO 0.79 -0.05 1.16 -0.46 0.23 0.00 0.00 176.35 178.02 1oww n ASN 56 N 3.65 2.53 -3.97 2.29 0.23 -1.26 -4.70 115.26 114.03 1oww n ASN 56 Ca -0.04 -2.72 -0.09 0.00 -0.53 0.00 0.00 54.58 51.21 1oww n ASN 56 Cb 0.51 -0.32 -0.08 0.00 -2.08 0.00 0.00 39.78 37.81 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 -2.11 0.22 0.36 0.53 1.04 -1.26 -2.09 113.70 110.38 1oww s SER 57 Ca 0.25 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.75 1oww s SER 57 Cb 0.20 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1oww s SER 57 CO 0.04 -0.73 0.60 -0.47 0.98 0.00 0.00 173.24 173.66 1oww s TYR 58 N -3.92 0.69 -0.14 5.02 5.04 -0.41 -5.01 117.35 118.62 1oww s TYR 58 Ca 0.10 -1.10 -0.04 0.00 -2.44 0.00 0.00 57.07 53.60 1oww s TYR 58 Cb 0.06 0.29 0.07 0.00 0.35 0.00 0.00 41.96 42.72 1oww s TYR 58 CO -0.07 -1.31 0.19 0.99 -1.34 0.00 0.00 175.55 174.01 1oww s THR 59 N -2.75 -0.30 -0.46 4.34 2.01 -1.26 -2.88 115.64 114.34 1oww s THR 59 Ca 0.24 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.18 1oww s THR 59 Cb -0.02 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.04 1oww s THR 59 CO 0.17 -0.02 0.64 -0.63 -0.69 0.00 0.00 174.62 174.09 1oww s ILE 60 N 2.31 4.83 0.32 1.82 1.01 -0.66 -4.96 121.20 125.88 1oww s ILE 60 Ca 0.04 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.67 1oww s ILE 60 Cb -0.14 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1oww s ILE 60 CO -0.09 -0.68 0.21 -0.54 0.00 0.00 0.00 174.94 173.84 1oww s LYS 61 N 2.78 2.62 0.00 2.79 1.02 -1.26 -1.47 119.74 126.23 1oww s LYS 61 Ca 0.20 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1oww s LYS 61 Cb -0.16 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1oww s LYS 61 CO 0.16 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1oww n GLY 62 N -1.24 0.47 3.49 -3.33 0.00 -1.21 -5.01 105.19 98.37 1oww n GLY 62 Ca -0.04 -0.46 -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 -2.03 2.64 0.04 0.99 1.43 -0.61 -5.08 118.68 116.06 1oww s LEU 63 Ca 0.00 -1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1oww s LEU 63 Cb 0.00 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1oww s LEU 63 CO 0.00 -0.19 0.24 -0.54 0.23 0.00 0.00 176.35 176.09 1oww s LYS 64 N -3.62 3.50 0.73 1.70 1.02 -1.26 -4.48 119.74 117.32 1oww s LYS 64 Ca 0.31 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.91 1oww s LYS 64 Cb 0.01 -3.03 0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1oww s LYS 64 CO 0.15 0.61 1.08 -1.25 -0.92 0.00 0.00 175.35 175.02 1oww s PRO 65 N -2.22 2.68 -1.73 -1.68 0.04 -1.26 -4.30 135.00 126.52 1oww s PRO 65 Ca 0.32 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1oww s PRO 65 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1oww s PRO 65 CO 0.22 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1oww n GLY 66 N -2.32 1.01 3.17 0.56 0.00 -0.14 -4.90 105.19 102.57 1oww n GLY 66 Ca 0.07 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.73 1.23 -0.17 1.61 0.11 -1.13 -5.03 120.40 114.30 1oww s VAL 67 Ca 0.00 -1.03 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 1oww s VAL 67 Cb 0.00 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1oww s VAL 67 CO 0.00 0.06 0.27 0.54 -3.33 0.00 0.00 175.10 172.63 1oww s VAL 68 N -0.82 5.32 -0.01 2.04 0.11 -1.26 -2.55 120.40 123.23 1oww s VAL 68 Ca 0.03 0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1oww s VAL 68 Cb -0.08 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1oww s VAL 68 CO 0.01 0.39 0.07 -0.31 -3.33 0.00 0.00 175.10 171.94 1oww s TYR 69 N 0.47 3.27 -0.06 1.54 1.51 -0.40 -2.34 117.35 121.34 1oww s TYR 69 Ca 0.15 0.20 -0.18 0.00 -1.01 0.00 0.00 57.07 56.23 1oww s TYR 69 Cb -0.13 -1.74 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1oww s TYR 69 CO 0.03 0.54 0.51 -2.00 -1.11 0.00 0.00 175.55 173.52 1oww s GLU 70 N -1.69 4.27 0.15 -0.62 2.12 -0.31 -1.82 118.70 120.80 1oww s GLU 70 Ca 0.22 0.54 0.05 0.00 0.36 0.00 0.00 54.97 56.15 1oww s GLU 70 Cb -0.12 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1oww s GLU 70 CO 0.13 0.30 -0.12 0.20 -0.54 0.00 0.00 175.26 175.24 1oww s GLY 71 N 0.11 1.13 -0.13 -1.50 0.00 -0.93 -1.22 107.32 104.78 1oww s GLY 71 Ca 0.27 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1oww s GLY 71 CO 0.13 -1.56 0.35 1.20 0.00 0.00 0.00 173.10 173.22 1oww s GLN 72 N -3.46 0.40 -0.40 2.90 -0.21 -0.06 -2.02 119.66 116.80 1oww s GLN 72 Ca 0.16 0.52 0.02 0.00 0.02 0.00 0.00 55.36 56.07 1oww s GLN 72 Cb 0.00 0.16 0.11 0.00 1.00 0.00 0.00 33.01 34.29 1oww s GLN 72 CO 0.02 -0.06 0.15 -1.17 -2.12 0.00 0.00 175.29 172.10 1oww s LEU 73 N 0.35 4.89 -0.03 2.90 2.96 -0.51 -1.29 118.68 127.95 1oww s LEU 73 Ca -0.01 -2.27 -0.20 0.00 -0.22 0.00 0.00 54.13 51.43 1oww s LEU 73 Cb -0.03 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1oww s LEU 73 CO -0.01 -0.41 0.56 -0.63 -1.32 0.00 0.00 176.35 174.54 1oww s ILE 74 N 0.77 4.98 -0.22 6.68 1.01 -0.18 -1.75 121.20 132.49 1oww s ILE 74 Ca 0.11 1.17 -0.00 0.00 0.00 0.00 0.00 60.65 61.93 1oww s ILE 74 Cb -0.21 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1oww s ILE 74 CO -0.06 0.40 -0.12 -0.94 0.00 0.00 0.00 174.94 174.22 1oww s SER 75 N -0.02 3.84 -0.13 3.58 1.04 0.08 -0.61 113.70 121.48 1oww s SER 75 Ca 0.30 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 1oww s SER 75 Cb -0.17 -1.59 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 1oww s SER 75 CO 0.16 -0.06 0.38 -0.63 0.98 0.00 0.00 173.24 174.06 1oww s ILE 76 N 1.31 5.24 0.28 -1.02 1.09 -0.81 -2.09 121.20 125.20 1oww s ILE 76 Ca 0.02 0.75 0.06 0.00 -1.10 0.00 0.00 60.65 60.38 1oww s ILE 76 Cb -0.15 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1oww s ILE 76 CO -0.08 0.37 0.35 -1.10 -0.10 0.00 0.00 174.94 174.38 1oww s GLN 77 N 0.44 3.18 0.00 2.79 -0.21 -0.64 -1.22 119.66 124.00 1oww s GLN 77 Ca 0.21 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1oww s GLN 77 Cb -0.14 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.11 1oww s GLN 77 CO 0.07 0.29 1.14 0.00 -2.12 0.00 0.00 175.29 174.68 1oww n GLN 78 N -1.42 0.81 -0.21 2.91 10.64 -1.23 -2.77 117.38 126.12 1oww n GLN 78 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1oww n GLN 78 Cb 0.58 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.86 1oww n GLN 78 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1oww n TYR 79 N 0.99 0.00 -0.99 2.61 9.36 -1.26 -4.99 117.16 122.88 1oww n TYR 79 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1oww n TYR 79 Cb 0.41 0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 1oww n TYR 79 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oww n GLY 80 N 0.00 0.90 3.87 2.98 0.00 -1.11 -5.02 105.19 106.81 1oww n GLY 80 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1oww n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oww s HIS 81 N -3.61 3.57 -0.17 1.61 5.04 -1.26 -4.89 115.29 115.57 1oww s HIS 81 Ca 0.00 1.21 -0.04 0.00 -1.54 0.00 0.00 55.06 54.69 1oww s HIS 81 Cb 0.00 -2.63 0.06 0.00 0.04 0.00 0.00 32.58 30.05 1oww s HIS 81 CO 0.00 -0.50 0.07 -0.65 -2.34 0.00 0.00 174.74 171.32 1oww s GLN 82 N -4.77 0.24 -0.18 2.88 -0.21 -1.26 -1.63 119.66 114.73 1oww s GLN 82 Ca 0.54 -0.17 -0.09 0.00 0.02 0.00 0.00 55.36 55.66 1oww s GLN 82 Cb -0.11 -1.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.97 1oww s GLN 82 CO 0.46 -0.65 0.12 -2.00 -2.12 0.00 0.00 175.29 171.10 1oww s GLU 83 N 2.05 3.99 -0.11 2.91 2.56 -0.89 -4.95 118.70 124.26 1oww s GLU 83 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.97 54.74 1oww s GLU 83 Cb -0.16 -3.33 -0.03 0.00 2.00 0.00 0.00 34.13 32.61 1oww s GLU 83 CO -0.09 0.40 -0.04 0.54 -0.56 0.00 0.00 175.26 175.51 1oww s VAL 84 N 0.07 3.88 -0.08 3.70 0.11 -1.26 -0.74 120.40 126.09 1oww s VAL 84 Ca 0.09 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1oww s VAL 84 Cb -0.11 -2.65 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 1oww s VAL 84 CO -0.00 0.55 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.35 1oww s THR 85 N -0.24 3.66 0.10 5.04 2.01 -0.72 -4.65 115.64 120.85 1oww s THR 85 Ca 0.04 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1oww s THR 85 Cb -0.13 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1oww s THR 85 CO 0.02 0.59 -0.15 0.00 -0.69 0.00 0.00 174.62 174.39 1oww s ARG 86 N -0.65 0.94 0.21 4.92 1.70 -1.26 -1.43 118.95 123.38 1oww s ARG 86 Ca 0.10 -1.11 -0.15 0.00 -0.47 0.00 0.00 55.73 54.09 1oww s ARG 86 Cb -0.11 -0.90 0.06 0.00 -0.57 0.00 0.00 34.95 33.42 1oww s ARG 86 CO 0.02 0.19 0.76 1.97 -1.08 0.00 0.00 175.30 177.16 1oww n PHE 87 N 0.88 -1.52 -4.18 5.89 1.16 -0.86 -5.00 117.46 113.83 1oww n PHE 87 Ca -0.18 -1.19 -0.12 0.00 -1.87 0.00 0.00 57.45 54.08 1oww n PHE 87 Cb 0.56 0.59 -0.10 0.00 -1.61 0.00 0.00 39.48 38.91 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 -2.86 1.34 0.13 5.98 -4.77 -1.26 -2.19 116.67 113.04 1oww s ASP 88 Ca 0.16 -0.93 -0.04 0.00 -3.30 0.00 0.00 52.55 48.44 1oww s ASP 88 Cb -0.03 0.05 -0.03 0.00 -1.09 0.00 0.00 42.92 41.82 1oww s ASP 88 CO 0.06 -0.37 0.14 0.72 0.70 0.00 0.00 175.17 176.42 1oww s PHE 89 N -3.11 0.63 -0.03 2.11 -0.71 -0.76 -4.89 117.98 111.23 1oww s PHE 89 Ca 0.10 -1.02 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1oww s PHE 89 Cb 0.02 -0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1oww s PHE 89 CO -0.02 -0.58 -0.13 0.95 -1.34 0.00 0.00 175.22 174.10 1oww s THR 90 N -4.00 3.15 -0.31 -4.49 -4.23 -1.26 -1.27 115.64 103.23 1oww s THR 90 Ca 0.19 -0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 1oww s THR 90 Cb 0.06 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1oww s THR 90 CO -0.00 0.51 0.08 -0.89 -0.54 0.00 0.00 174.62 173.77 1oww s THR 91 N -0.82 3.77 -0.05 3.99 2.01 -1.06 -4.66 115.64 118.83 1oww s THR 91 Ca 0.13 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1oww s THR 91 Cb -0.11 -3.02 0.07 0.00 0.01 0.00 0.00 72.50 69.45 1oww s THR 91 CO 0.03 -0.02 0.65 0.28 -0.69 0.00 0.00 174.62 174.87 1oww s THR 92 N 1.44 0.00 0.00 -0.82 -1.32 -1.07 -0.96 115.64 112.91 1oww s THR 92 Ca 0.01 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1oww s THR 92 Cb -0.18 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1oww s THR 92 CO 0.02 -0.02 0.00 -0.24 -2.21 0.00 0.00 174.62 172.17