#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s LYS 13 N 0.00 4.11 -0.30 5.56 -0.14 -1.26 -5.05 119.74 122.65 2wwl s LYS 13 Ca 0.00 0.69 -0.19 0.00 -1.36 0.00 0.00 55.97 55.10 2wwl s LYS 13 Cb 0.00 -2.84 0.19 0.00 -1.68 0.00 0.00 37.83 33.50 2wwl s LYS 13 CO 0.00 0.40 1.29 -1.14 -0.76 0.00 0.00 175.35 175.14 2wwl s GLN 14 N -2.11 0.03 0.00 1.68 0.74 -1.26 -4.88 119.66 113.86 2wwl s GLN 14 Ca 0.42 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.90 2wwl s GLN 14 Cb -0.15 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.00 2wwl s GLN 14 CO 0.20 -0.01 0.14 1.33 -0.55 0.00 0.00 175.29 176.40 2wwl n VAL 15 N 4.68 0.00 0.00 1.34 0.24 -1.26 -5.04 118.33 118.29 2wwl n VAL 15 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2wwl n VAL 15 Cb 0.56 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2wwl n VAL 15 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2wwl n SER 16 N 0.00 0.00 -4.27 -1.34 2.88 -1.24 -4.89 113.62 104.77 2wwl n SER 16 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2wwl n SER 16 Cb 0.39 -0.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.71 2wwl n SER 16 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2wwl s ASP 17 N -0.10 2.43 -0.18 -3.46 1.47 -1.26 -2.33 116.67 113.24 2wwl s ASP 17 Ca 0.00 -0.64 -0.29 0.00 1.18 0.00 0.00 52.55 52.79 2wwl s ASP 17 Cb 0.00 -0.14 0.13 0.00 -0.34 0.00 0.00 42.92 42.56 2wwl s ASP 17 CO 0.00 0.07 1.00 -0.83 0.68 0.00 0.00 175.17 176.08 2wwl s GLY 18 N -1.74 -0.26 0.17 2.12 0.00 -1.25 -3.99 107.32 102.38 2wwl s GLY 18 Ca 0.06 2.11 -0.32 0.00 0.00 0.00 0.00 44.72 46.57 2wwl s GLY 18 CO 0.04 1.15 1.63 0.14 0.00 0.00 0.00 173.10 176.05 2wwl s VAL 19 N -0.91 2.44 -0.54 1.40 1.01 -1.22 -3.83 120.40 118.75 2wwl s VAL 19 Ca -0.01 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 2wwl s VAL 19 Cb -0.01 -3.19 0.11 0.00 0.00 0.00 0.00 36.38 33.29 2wwl s VAL 19 CO 0.01 0.02 0.56 0.00 0.00 0.00 0.00 175.10 175.69 2wwl s ALA 20 N 1.24 3.54 0.24 5.51 0.00 -1.13 -2.57 121.76 128.60 2wwl s ALA 20 Ca 0.72 -2.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 2wwl s ALA 20 Cb -0.46 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 2wwl s ALA 20 CO 0.32 -2.08 0.71 -1.58 0.00 0.00 0.00 175.76 173.12 2wwl s HIS 21 N 2.02 3.56 -0.06 0.00 5.04 0.22 -3.06 115.29 123.01 2wwl s HIS 21 Ca 0.07 1.30 -0.03 0.00 -1.54 0.00 0.00 55.06 54.86 2wwl s HIS 21 Cb -0.27 -2.57 0.04 0.00 0.04 0.00 0.00 32.58 29.83 2wwl s HIS 21 CO 0.05 0.27 0.14 -1.50 -2.34 0.00 0.00 174.74 171.36 2wwl s ILE 22 N -1.66 -0.05 -0.31 0.89 2.07 -1.13 -1.76 121.20 119.25 2wwl s ILE 22 Ca 0.46 0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 2wwl s ILE 22 Cb -0.15 -0.23 0.08 0.00 0.13 0.00 0.00 42.46 42.30 2wwl s ILE 22 CO 0.20 0.08 -0.00 -2.28 -1.91 0.00 0.00 174.94 171.02 2wwl s HIS 23 N 1.17 3.53 -0.89 3.50 5.65 -0.11 -3.65 115.29 124.48 2wwl s HIS 23 Ca -0.09 -2.61 -0.15 0.00 0.25 0.00 0.00 55.06 52.45 2wwl s HIS 23 Cb -0.12 -2.51 0.19 0.00 -1.18 0.00 0.00 32.58 28.96 2wwl s HIS 23 CO -0.06 -0.91 0.93 0.00 -0.65 0.00 0.00 174.74 174.05 2wwl s ALA 24 N 1.02 3.88 0.21 1.58 0.00 0.33 -2.34 121.76 126.44 2wwl s ALA 24 Ca 0.02 -3.17 -0.10 0.00 0.00 0.00 0.00 51.96 48.71 2wwl s ALA 24 Cb -0.20 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 2wwl s ALA 24 CO -0.06 -2.53 0.54 -1.12 0.00 0.00 0.00 175.76 172.59 2wwl s SER 25 N 2.62 6.64 -0.02 0.00 0.01 -1.03 -3.16 113.70 118.76 2wwl s SER 25 Ca 0.24 0.92 0.10 0.00 1.31 0.00 0.00 55.95 58.52 2wwl s SER 25 Cb -0.08 -2.23 0.32 0.00 0.21 0.00 0.00 66.02 64.24 2wwl s SER 25 CO -0.09 -0.04 1.21 0.33 0.41 0.00 0.00 173.24 175.06 2wwl n PHE 26 N 0.01 0.57 -0.61 2.43 7.35 -0.89 -3.52 117.46 122.80 2wwl n PHE 26 Ca -0.00 -0.25 0.00 0.00 -0.76 0.00 0.00 57.45 56.43 2wwl n PHE 26 Cb 0.52 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.29 2wwl n PHE 26 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2wwl n ASN 27 N 0.45 0.00 -3.62 -2.13 4.13 -1.26 -4.92 115.26 107.90 2wwl n ASN 27 Ca 0.12 -0.39 -0.02 0.00 1.68 0.00 0.00 54.58 55.97 2wwl n ASN 27 Cb 0.38 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.62 2wwl n ASN 27 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2wwl s ASN 28 N 0.00 -0.08 -0.15 6.41 2.47 -1.23 -4.73 114.94 117.63 2wwl s ASN 28 Ca 0.00 -0.40 -0.07 0.00 0.42 0.00 0.00 52.86 52.82 2wwl s ASN 28 Cb 0.00 0.38 0.06 0.00 -1.45 0.00 0.00 41.25 40.25 2wwl s ASN 28 CO 0.00 -0.73 0.33 -0.89 -3.72 0.00 0.00 177.10 172.09 2wwl s THR 29 N -2.67 -0.27 0.04 -5.21 2.01 -1.26 -2.47 115.64 105.80 2wwl s THR 29 Ca 0.17 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.36 2wwl s THR 29 Cb -0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2wwl s THR 29 CO 0.01 0.07 0.04 -0.63 -0.69 0.00 0.00 174.62 173.43 2wwl s ILE 30 N 1.92 4.35 -0.05 1.82 1.01 -0.99 -2.32 121.20 126.94 2wwl s ILE 30 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2wwl s ILE 30 Cb -0.11 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.37 2wwl s ILE 30 CO -0.11 0.25 -0.02 -0.69 0.00 0.00 0.00 174.94 174.37 2wwl s VAL 31 N -1.24 0.45 -0.02 2.92 1.01 -0.67 -0.94 120.40 121.92 2wwl s VAL 31 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2wwl s VAL 31 Cb -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2wwl s VAL 31 CO 0.16 0.23 0.05 -0.89 0.00 0.00 0.00 175.10 174.65 2wwl s THR 32 N 1.35 -0.04 -0.29 3.92 2.01 -0.72 -2.51 115.64 119.35 2wwl s THR 32 Ca -0.04 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 2wwl s THR 32 Cb -0.13 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 2wwl s THR 32 CO -0.02 0.05 0.12 -0.63 -0.69 0.00 0.00 174.62 173.45 2wwl s ILE 33 N 0.68 4.46 0.16 1.82 1.01 -0.85 -0.61 121.20 127.87 2wwl s ILE 33 Ca -0.06 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2wwl s ILE 33 Cb -0.08 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2wwl s ILE 33 CO -0.02 0.13 0.08 0.42 0.00 0.00 0.00 174.94 175.54 2wwl s THR 34 N 1.60 4.17 1.16 2.92 -4.23 -1.06 -1.56 115.64 118.63 2wwl s THR 34 Ca 0.05 -1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 59.18 2wwl s THR 34 Cb -0.17 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.74 2wwl s THR 34 CO 0.05 -0.10 0.31 -0.67 -0.54 0.00 0.00 174.62 173.67 2wwl n ASP 35 N -0.21 -2.54 0.28 3.99 -0.08 -0.77 -3.38 116.55 113.84 2wwl n ASP 35 Ca -0.09 -0.26 0.17 0.00 -1.51 0.00 0.00 54.79 53.11 2wwl n ASP 35 Cb 0.55 -0.98 0.70 0.00 2.34 0.00 0.00 41.12 43.72 2wwl n ASP 35 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2wwl h ARG 36 N -2.44 0.00 -0.15 -0.67 9.65 -1.90 -2.92 114.38 115.95 2wwl h ARG 36 Ca -0.50 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2wwl h ARG 36 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 2wwl h ARG 36 CO 0.36 0.01 0.00 1.04 2.80 0.00 0.00 179.97 184.19 2wwl n GLN 37 N -3.12 2.39 -1.33 0.20 1.13 -1.26 -4.92 117.38 110.47 2wwl n GLN 37 Ca 0.00 -2.45 -0.00 0.00 -1.94 0.00 0.00 57.00 52.61 2wwl n GLN 37 Cb 0.30 -1.53 -0.00 0.00 0.11 0.00 0.00 30.24 29.12 2wwl n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wwl n GLY 38 N -0.66 0.39 3.28 1.08 0.00 -1.10 -5.01 105.19 103.18 2wwl n GLY 38 Ca 0.15 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2wwl n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wwl s ASN 39 N -2.99 5.67 0.58 1.61 -0.87 -1.26 -4.80 114.94 112.87 2wwl s ASN 39 Ca 0.00 -1.45 -0.18 0.00 -1.57 0.00 0.00 52.86 49.66 2wwl s ASN 39 Cb 0.00 -2.00 -0.08 0.00 -0.02 0.00 0.00 41.25 39.16 2wwl s ASN 39 CO 0.00 -0.53 0.65 0.00 -2.57 0.00 0.00 177.10 174.65 2wwl n ALA 40 N 4.94 -0.79 0.00 0.60 0.00 -1.26 -1.85 120.51 122.15 2wwl n ALA 40 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wwl n ALA 40 Cb 0.43 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2wwl n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wwl n LEU 41 N 0.15 0.40 -3.93 0.00 4.77 -1.05 -4.74 117.00 112.61 2wwl n LEU 41 Ca 0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2wwl n LEU 41 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2wwl n LEU 41 CO 0.50 -0.13 0.21 -0.83 -1.33 0.00 0.00 177.39 175.82 2wwl s GLY 42 N -4.48 0.34 0.06 -0.72 0.00 -0.60 -4.88 107.32 97.03 2wwl s GLY 42 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 2wwl s GLY 42 CO 0.00 -0.51 0.94 0.66 0.00 0.00 0.00 173.10 174.19 2wwl s TRP 43 N -3.97 -0.24 -0.08 1.90 1.48 -1.26 -2.01 118.94 114.75 2wwl s TRP 43 Ca 0.18 0.04 -0.32 0.00 -1.06 0.00 0.00 56.10 54.94 2wwl s TRP 43 Cb -0.01 0.58 0.12 0.00 -1.16 0.00 0.00 33.47 33.00 2wwl s TRP 43 CO 0.06 -0.65 1.15 0.00 -4.06 0.00 0.00 176.95 173.45 2wwl s ALA 44 N -3.15 -2.03 0.27 2.67 0.00 -1.05 -4.71 121.76 113.77 2wwl s ALA 44 Ca 0.08 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 2wwl s ALA 44 Cb -0.01 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2wwl s ALA 44 CO -0.04 -0.77 0.64 -0.08 0.00 0.00 0.00 175.76 175.51 2wwl s THR 45 N -2.63 0.00 0.44 0.00 -1.32 -1.26 -1.67 115.64 109.20 2wwl s THR 45 Ca 0.10 -1.14 0.15 0.00 -1.21 0.00 0.00 61.69 59.59 2wwl s THR 45 Cb 0.00 -2.10 0.33 0.00 -1.51 0.00 0.00 72.50 69.22 2wwl s THR 45 CO -0.05 0.00 1.99 0.00 -2.21 0.00 0.00 174.62 174.35 2wwl h ALA 46 N 2.08 2.04 0.00 11.08 0.00 -1.78 -2.59 119.26 130.09 2wwl h ALA 46 Ca -0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2wwl h ALA 46 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2wwl h ALA 46 CO 0.28 -0.17 -0.43 0.78 0.00 0.00 0.00 179.25 179.71 2wwl h GLY 47 N 0.37 0.00 1.41 0.00 0.00 -1.88 -2.21 103.07 100.75 2wwl h GLY 47 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.37 2wwl h GLY 47 CO -0.07 0.00 -1.28 -1.33 0.00 0.00 0.00 176.54 173.86 2wwl h GLY 48 N 2.31 0.00 1.67 4.60 0.00 -1.86 -3.29 103.07 106.50 2wwl h GLY 48 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2wwl h GLY 48 CO 0.06 0.00 0.02 1.76 0.00 0.00 0.00 176.54 178.37 2wwl h SER 49 N 0.00 0.39 -0.28 0.19 0.02 -1.06 -3.47 113.55 109.34 2wwl h SER 49 Ca -0.14 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2wwl h SER 49 Cb 1.77 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.21 2wwl h SER 49 CO 0.09 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 2wwl n GLY 50 N -1.02 0.76 3.14 -3.77 0.00 -0.88 -5.06 105.19 98.36 2wwl n GLY 50 Ca 0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 2wwl n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wwl s PHE 51 N -2.09 0.79 0.33 1.61 0.08 -1.08 -5.05 117.98 112.56 2wwl s PHE 51 Ca 0.00 -1.20 0.07 0.00 0.12 0.00 0.00 56.93 55.92 2wwl s PHE 51 Cb 0.00 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 2wwl s PHE 51 CO 0.00 -0.49 0.26 1.03 -0.10 0.00 0.00 175.22 175.91 2wwl s ARG 52 N -4.02 1.73 6.21 0.44 1.81 -1.26 -4.59 118.95 119.27 2wwl s ARG 52 Ca 0.21 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.21 2wwl s ARG 52 Cb 0.08 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 2wwl s ARG 52 CO -0.01 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 174.40 2wwl n GLY 53 N -0.62 2.09 0.82 -3.53 0.00 -1.26 -2.71 105.19 99.98 2wwl n GLY 53 Ca 0.06 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.71 2wwl n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wwl n SER 54 N 4.07 2.72 0.18 1.61 7.64 -1.26 -3.76 113.62 124.82 2wwl n SER 54 Ca 0.00 -1.84 0.13 0.00 1.01 0.00 0.00 58.87 58.17 2wwl n SER 54 Cb 0.00 -0.02 0.41 0.00 -1.01 0.00 0.00 64.21 63.59 2wwl n SER 54 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wwl h ARG 55 N 3.91 0.00 -0.59 1.43 3.08 -1.91 -2.72 114.38 117.59 2wwl h ARG 55 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2wwl h ARG 55 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 2wwl h ARG 55 CO 0.00 0.00 0.39 0.87 -1.07 0.00 0.00 179.97 180.16 2wwl h LYS 56 N 0.00 0.68 -3.37 0.04 1.57 -1.60 -3.37 116.57 110.52 2wwl h LYS 56 Ca 0.00 -0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 58.07 2wwl h LYS 56 Cb 0.69 -0.15 -0.38 0.00 0.08 0.00 0.00 32.23 32.47 2wwl h LYS 56 CO 0.00 0.45 -0.40 -1.12 -0.57 0.00 0.00 179.45 177.80 2wwl s SER 57 N -6.44 5.12 0.18 0.86 0.01 -1.02 -4.18 113.70 108.23 2wwl s SER 57 Ca -0.09 -3.30 -0.12 0.00 1.31 0.00 0.00 55.95 53.75 2wwl s SER 57 Cb 0.18 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.64 2wwl s SER 57 CO 0.75 -0.24 0.37 0.42 0.41 0.00 0.00 173.24 174.96 2wwl s THR 58 N -0.71 0.05 0.06 1.44 -4.23 -1.21 -4.60 115.64 106.44 2wwl s THR 58 Ca 0.21 -1.24 -0.25 0.00 -1.18 0.00 0.00 61.69 59.23 2wwl s THR 58 Cb -0.15 -1.82 -0.17 0.00 1.34 0.00 0.00 72.50 71.70 2wwl s THR 58 CO -0.07 -0.21 1.61 -0.65 -0.54 0.00 0.00 174.62 174.75 2wwl h PRO 59 N 2.42 -0.21 -0.08 3.99 0.11 -1.89 -3.10 132.00 133.24 2wwl h PRO 59 Ca -0.30 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.85 2wwl h PRO 59 Cb 1.24 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 2wwl h PRO 59 CO 0.44 -0.06 -0.51 0.35 -0.21 0.00 0.00 178.00 178.01 2wwl h PHE 60 N -0.31 -1.53 -1.05 0.65 3.57 -1.96 -1.81 116.94 114.51 2wwl h PHE 60 Ca -0.02 0.05 0.28 0.00 3.53 0.00 0.00 57.97 61.82 2wwl h PHE 60 Cb 0.24 0.68 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 2wwl h PHE 60 CO -0.04 -0.53 0.72 0.00 -2.23 0.00 0.00 178.31 176.23 2wwl h ALA 61 N -0.41 2.62 -0.15 2.41 0.00 -1.86 -2.42 119.26 119.46 2wwl h ALA 61 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2wwl h ALA 61 Cb 0.66 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2wwl h ALA 61 CO -0.39 -0.97 -0.58 0.00 0.00 0.00 0.00 179.25 177.31 2wwl h ALA 62 N 1.54 0.72 0.71 0.00 0.00 -1.25 -2.90 119.26 118.07 2wwl h ALA 62 Ca 0.54 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wwl h ALA 62 Cb 1.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2wwl h ALA 62 CO -0.14 0.70 -0.50 1.96 0.00 0.00 0.00 179.25 181.27 2wwl h GLN 63 N 0.37 -1.11 -1.37 0.00 4.20 -1.21 -1.57 115.11 114.42 2wwl h GLN 63 Ca 0.00 0.08 0.43 0.00 0.06 0.00 0.00 58.65 59.21 2wwl h GLN 63 Cb 1.11 0.25 -0.11 0.00 0.30 0.00 0.00 27.48 29.04 2wwl h GLN 63 CO 0.10 -0.74 0.91 0.28 -0.67 0.00 0.00 178.83 178.72 2wwl h VAL 64 N -1.15 0.18 0.04 -0.54 2.07 -1.30 -1.79 116.25 113.75 2wwl h VAL 64 Ca -0.09 -0.03 -0.31 0.00 0.82 0.00 0.00 66.70 67.08 2wwl h VAL 64 Cb 0.94 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2wwl h VAL 64 CO 0.05 0.02 -1.73 0.00 0.02 0.00 0.00 177.57 175.93 2wwl n ALA 65 N -2.60 0.91 0.19 1.67 0.00 -1.07 -3.29 120.51 116.33 2wwl n ALA 65 Ca 0.36 -0.63 0.14 0.00 0.00 0.00 0.00 53.44 53.30 2wwl n ALA 65 Cb 1.44 -0.49 0.49 0.00 0.00 0.00 0.00 19.45 20.89 2wwl n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl h ALA 66 N -0.35 1.97 0.00 0.00 0.00 -0.45 -0.99 119.26 119.43 2wwl h ALA 66 Ca -0.43 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 2wwl h ALA 66 Cb 1.61 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2wwl h ALA 66 CO -0.14 -0.85 -1.93 -1.91 0.00 0.00 0.00 179.25 174.43 2wwl n GLU 67 N -2.98 0.86 -0.10 0.00 2.13 -0.89 -3.49 120.64 116.17 2wwl n GLU 67 Ca 0.05 0.07 -0.06 0.00 0.66 0.00 0.00 57.16 57.87 2wwl n GLU 67 Cb 0.82 -1.33 0.02 0.00 0.27 0.00 0.00 31.44 31.21 2wwl n GLU 67 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2wwl h ARG 68 N 0.00 0.22 -0.75 5.31 2.43 -1.37 -1.40 114.38 118.82 2wwl h ARG 68 Ca -0.36 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.85 2wwl h ARG 68 Cb 1.64 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.09 2wwl h ARG 68 CO -0.03 0.15 0.49 0.00 -1.51 0.00 0.00 179.97 179.06 2wwl h ALA 70 N 1.59 0.58 -0.00 0.00 0.00 -1.29 -2.49 119.26 117.65 2wwl h ALA 70 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wwl h ALA 70 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wwl h ALA 70 CO -0.11 0.11 0.02 -0.44 0.00 0.00 0.00 179.25 178.84 2wwl h ASP 71 N 0.60 0.00 -0.32 0.00 5.19 -1.34 -0.75 116.42 119.80 2wwl h ASP 71 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2wwl h ASP 71 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2wwl h ASP 71 CO -0.03 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.09 2wwl n ALA 72 N -2.11 2.42 0.00 3.45 0.00 -0.96 -4.45 120.51 118.86 2wwl n ALA 72 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2wwl n ALA 72 Cb 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wwl n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wwl n VAL 73 N 1.39 0.00 -0.32 0.00 0.24 -0.84 -4.71 118.33 114.10 2wwl n VAL 73 Ca 0.18 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.63 2wwl n VAL 73 Cb 0.58 0.02 0.35 0.00 -1.47 0.00 0.00 33.84 33.32 2wwl n VAL 73 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2wwl h LYS 74 N 0.00 0.46 0.00 7.34 2.10 -1.38 -2.51 116.57 122.59 2wwl h LYS 74 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2wwl h LYS 74 Cb 0.05 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 2wwl h LYS 74 CO 0.00 0.30 0.00 -0.85 -2.00 0.00 0.00 179.45 176.90 2wwl n GLU 75 N -4.98 0.05 0.13 0.07 0.00 -1.26 -1.86 120.64 112.80 2wwl n GLU 75 Ca 0.25 0.53 -0.21 0.00 0.00 0.00 0.00 57.16 57.72 2wwl n GLU 75 Cb 0.71 -1.67 -0.15 0.00 0.00 0.00 0.00 31.44 30.33 2wwl n GLU 75 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2wwl h TYR 76 N 0.00 0.81 -1.26 -1.84 0.05 -1.79 -3.50 116.97 109.45 2wwl h TYR 76 Ca 0.00 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.20 2wwl h TYR 76 Cb 0.03 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2wwl h TYR 76 CO 0.00 1.45 0.00 0.41 -1.05 0.00 0.00 178.16 178.97 2wwl n GLY 77 N 1.61 0.03 3.16 3.88 0.00 -0.78 -4.64 105.19 108.46 2wwl n GLY 77 Ca -0.13 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 2wwl n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wwl s ILE 78 N -0.39 1.11 0.00 -0.61 -1.09 -1.26 -3.69 121.20 115.27 2wwl s ILE 78 Ca 0.00 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 2wwl s ILE 78 Cb 0.00 -1.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.82 2wwl s ILE 78 CO 0.00 -0.17 0.22 2.29 -1.23 0.00 0.00 174.94 176.05 2wwl n LYS 79 N 1.43 0.00 -4.13 2.79 2.85 -0.98 -4.77 118.16 115.34 2wwl n LYS 79 Ca -0.20 -0.17 -0.14 0.00 -1.05 0.00 0.00 58.31 56.75 2wwl n LYS 79 Cb 0.54 0.31 -0.11 0.00 -0.65 0.00 0.00 35.03 35.12 2wwl n LYS 79 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2wwl s ASN 80 N -0.17 1.21 0.01 -5.58 0.01 -1.20 -1.79 114.94 107.44 2wwl s ASN 80 Ca 0.00 -0.71 0.07 0.00 -0.71 0.00 0.00 52.86 51.51 2wwl s ASN 80 Cb 0.00 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.66 2wwl s ASN 80 CO 0.00 -0.24 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.38 2wwl s LEU 81 N -2.09 2.10 -0.51 0.60 1.43 -0.67 -3.97 118.68 115.58 2wwl s LEU 81 Ca -0.01 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2wwl s LEU 81 Cb -0.06 -1.03 0.14 0.00 0.03 0.00 0.00 46.19 45.27 2wwl s LEU 81 CO -0.00 0.22 0.28 -0.70 0.23 0.00 0.00 176.35 176.37 2wwl s GLU 82 N -0.80 1.74 0.13 1.70 2.12 -1.25 -2.03 118.70 120.31 2wwl s GLU 82 Ca 0.08 -2.45 -0.31 0.00 0.36 0.00 0.00 54.97 52.64 2wwl s GLU 82 Cb -0.08 -2.92 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 2wwl s GLU 82 CO 0.00 -1.15 1.67 0.08 -0.54 0.00 0.00 175.26 175.33 2wwl s VAL 83 N -0.16 2.67 -0.57 3.70 1.01 -0.92 -2.85 120.40 123.28 2wwl s VAL 83 Ca 0.18 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.52 2wwl s VAL 83 Cb -0.23 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.10 2wwl s VAL 83 CO -0.02 0.01 0.38 -0.04 0.00 0.00 0.00 175.10 175.43 2wwl s MET 84 N 2.02 1.89 0.04 2.72 -1.94 -1.17 -0.26 119.30 122.61 2wwl s MET 84 Ca 0.74 -2.75 -0.30 0.00 -1.71 0.00 0.00 55.69 51.67 2wwl s MET 84 Cb -0.44 -2.86 -0.07 0.00 2.01 0.00 0.00 34.83 33.47 2wwl s MET 84 CO 0.33 -1.25 1.56 0.08 -0.01 0.00 0.00 175.02 175.73 2wwl s VAL 85 N -0.65 3.28 -0.24 -6.03 1.01 -1.26 -2.85 120.40 113.66 2wwl s VAL 85 Ca 0.23 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 2wwl s VAL 85 Cb -0.11 -3.45 0.11 0.00 0.00 0.00 0.00 36.38 32.93 2wwl s VAL 85 CO -0.11 -0.00 0.24 -0.75 0.00 0.00 0.00 175.10 174.47 2wwl s LYS 86 N 2.56 0.24 0.00 2.72 2.20 -1.24 -4.47 119.74 121.74 2wwl s LYS 86 Ca 0.70 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2wwl s LYS 86 Cb -0.37 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.93 2wwl s LYS 86 CO 0.30 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2wwl n GLY 87 N 5.31 0.27 3.93 5.54 0.00 -1.26 -0.52 105.19 118.46 2wwl n GLY 87 Ca -0.04 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 2wwl n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wwl s PRO 88 N -2.03 3.04 0.00 1.61 0.04 -1.19 -4.65 135.00 131.82 2wwl s PRO 88 Ca 0.00 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2wwl s PRO 88 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2wwl s PRO 88 CO 0.00 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2wwl n GLY 89 N -2.39 1.45 3.77 0.56 0.00 -1.26 -2.09 105.19 105.23 2wwl n GLY 89 Ca 0.03 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2wwl n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wwl s PRO 90 N -0.10 3.06 0.00 1.61 0.02 -1.26 -3.65 135.00 134.68 2wwl s PRO 90 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2wwl s PRO 90 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.55 2wwl s PRO 90 CO 0.00 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 2wwl n GLY 91 N -0.01 1.15 0.00 0.52 0.00 -1.26 -3.31 105.19 102.28 2wwl n GLY 91 Ca 0.12 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2wwl n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwl n ARG 92 N -1.76 0.09 0.00 1.61 1.74 -1.24 -3.70 116.66 113.40 2wwl n ARG 92 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2wwl n ARG 92 Cb 0.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2wwl n ARG 92 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2wwl n GLU 93 N -1.45 2.57 -0.36 5.56 0.00 -1.26 -4.51 120.64 121.19 2wwl n GLU 93 Ca 0.08 0.00 0.30 0.00 0.00 0.00 0.00 57.16 57.54 2wwl n GLU 93 Cb 0.32 -0.26 0.61 0.00 0.00 0.00 0.00 31.44 32.11 2wwl n GLU 93 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2wwl h SER 94 N 0.00 0.27 0.00 -1.84 0.02 -1.90 -2.50 113.55 107.60 2wwl h SER 94 Ca 0.00 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2wwl h SER 94 Cb 0.00 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2wwl h SER 94 CO 0.00 0.00 -0.53 0.74 -1.14 0.00 0.00 176.83 175.90 2wwl h THR 95 N 0.21 1.39 0.00 -2.27 2.02 -1.81 -1.29 112.91 111.17 2wwl h THR 95 Ca 0.64 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2wwl h THR 95 Cb 2.00 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 71.25 2wwl h THR 95 CO -0.24 0.47 0.00 -0.38 0.37 0.00 0.00 175.52 175.75 2wwl n ILE 96 N -4.54 0.00 -0.33 3.11 5.41 -1.13 -1.81 119.36 120.08 2wwl n ILE 96 Ca -0.19 1.49 0.20 0.00 1.00 0.00 0.00 62.75 65.25 2wwl n ILE 96 Cb 0.56 -2.12 0.41 0.00 -0.71 0.00 0.00 39.64 37.79 2wwl n ILE 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2wwl h ARG 97 N 0.00 0.31 -0.44 0.38 1.12 -1.60 -2.22 114.38 111.93 2wwl h ARG 97 Ca 0.00 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2wwl h ARG 97 Cb 0.00 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 2wwl h ARG 97 CO 0.00 0.21 0.24 0.00 -3.11 0.00 0.00 179.97 177.31 2wwl h ALA 98 N 1.82 0.56 0.83 2.80 0.00 -0.74 -1.71 119.26 122.82 2wwl h ALA 98 Ca 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 2wwl h ALA 98 Cb 1.47 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2wwl h ALA 98 CO -0.61 0.08 -0.40 -0.07 0.00 0.00 0.00 179.25 178.26 2wwl h LEU 99 N 0.57 -0.95 -0.38 0.00 3.38 -0.75 -2.96 115.31 114.23 2wwl h LEU 99 Ca 0.15 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2wwl h LEU 99 Cb 0.05 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2wwl h LEU 99 CO -0.03 -0.65 -0.32 0.78 0.09 0.00 0.00 178.44 178.31 2wwl h ASN 100 N -1.16 -1.08 0.00 -0.43 2.35 -1.50 0.11 115.58 113.87 2wwl h ASN 100 Ca -0.11 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2wwl h ASN 100 Cb 0.86 0.50 0.00 0.00 0.05 0.00 0.00 38.32 39.73 2wwl h ASN 100 CO 0.19 -0.32 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 2wwl n ALA 101 N -2.99 1.81 -2.70 -0.83 0.00 -0.65 -3.24 120.51 111.92 2wwl n ALA 101 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2wwl n ALA 101 Cb 0.34 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.87 2wwl n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl n ALA 102 N 0.78 -0.43 -1.99 0.00 0.00 0.38 -4.93 120.51 114.32 2wwl n ALA 102 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 2wwl n ALA 102 Cb 0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 2wwl n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwl n GLY 103 N -0.21 0.20 3.63 0.00 0.00 -1.20 -4.91 105.19 102.70 2wwl n GLY 103 Ca -0.05 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2wwl n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wwl s PHE 104 N -2.37 2.16 -0.00 1.61 2.99 -1.16 -4.46 117.98 116.74 2wwl s PHE 104 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 56.93 56.02 2wwl s PHE 104 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 43.02 41.42 2wwl s PHE 104 CO 0.00 0.25 0.11 0.50 -0.00 0.00 0.00 175.22 176.08 2wwl s ARG 105 N -3.79 0.39 0.14 0.44 3.52 -0.74 -4.35 118.95 114.55 2wwl s ARG 105 Ca 0.25 -0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.47 2wwl s ARG 105 Cb 0.06 0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.56 2wwl s ARG 105 CO 0.12 -0.08 0.39 -1.50 -0.81 0.00 0.00 175.30 173.42 2wwl s ILE 106 N -1.10 5.14 0.03 4.11 1.10 -1.26 -1.67 121.20 127.56 2wwl s ILE 106 Ca -0.12 0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2wwl s ILE 106 Cb -0.07 -3.62 0.00 0.00 0.15 0.00 0.00 42.46 38.92 2wwl s ILE 106 CO 0.01 0.07 0.00 0.41 -2.11 0.00 0.00 174.94 173.32 2wwl n THR 107 N 0.20 0.01 -4.03 4.00 -1.04 -1.13 -4.81 114.28 107.48 2wwl n THR 107 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.83 2wwl n THR 107 Cb 0.52 -0.56 -0.15 0.00 -1.82 0.00 0.00 70.33 68.32 2wwl n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2wwl s ASN 108 N -5.01 0.39 -0.22 8.00 0.01 -0.86 -5.05 114.94 112.20 2wwl s ASN 108 Ca 0.00 -0.05 -0.01 0.00 -0.71 0.00 0.00 52.86 52.08 2wwl s ASN 108 Cb 0.00 -0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.59 2wwl s ASN 108 CO 0.00 0.01 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.88 2wwl s ILE 109 N 0.15 2.78 0.25 0.60 1.01 -1.26 -2.16 121.20 122.57 2wwl s ILE 109 Ca -0.01 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.86 2wwl s ILE 109 Cb -0.04 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 2wwl s ILE 109 CO -0.00 0.35 -0.13 0.42 0.00 0.00 0.00 174.94 175.57 2wwl s THR 110 N 1.36 1.91 -0.21 2.92 -4.23 0.65 -4.93 115.64 113.10 2wwl s THR 110 Ca 0.03 -2.24 0.01 0.00 -1.18 0.00 0.00 61.69 58.31 2wwl s THR 110 Cb -0.15 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.48 2wwl s THR 110 CO -0.06 -0.46 -0.14 -0.62 -0.54 0.00 0.00 174.62 172.79 2wwl s ASP 111 N -3.41 3.71 -0.16 3.99 -1.08 -1.26 -4.00 116.67 114.46 2wwl s ASP 111 Ca 0.26 -0.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 2wwl s ASP 111 Cb -0.00 -1.55 0.02 0.00 -1.46 0.00 0.00 42.92 39.93 2wwl s ASP 111 CO 0.10 -0.07 -0.14 -0.69 0.52 0.00 0.00 175.17 174.89 2wwl s VAL 112 N 1.27 1.64 -0.09 1.11 1.01 -1.26 -5.07 120.40 119.00 2wwl s VAL 112 Ca 0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2wwl s VAL 112 Cb -0.15 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.72 2wwl s VAL 112 CO -0.09 0.44 0.22 -0.89 0.00 0.00 0.00 175.10 174.78 2wwl s THR 113 N 1.46 -0.03 0.33 3.92 2.01 -1.26 -4.54 115.64 117.52 2wwl s THR 113 Ca 0.04 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 2wwl s THR 113 Cb -0.13 -0.33 -0.11 0.00 0.01 0.00 0.00 72.50 71.94 2wwl s THR 113 CO -0.11 0.05 1.55 -2.84 -0.69 0.00 0.00 174.62 172.58 2wwl s PRO 114 N 0.92 4.11 -0.12 4.92 0.02 -1.26 -5.01 135.00 138.58 2wwl s PRO 114 Ca -0.07 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2wwl s PRO 114 Cb -0.08 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.46 2wwl s PRO 114 CO -0.06 -0.60 -0.11 0.42 -0.33 0.00 0.00 177.00 176.33 2wwl s ILE 115 N -0.46 1.26 0.20 2.83 -1.09 -1.26 -4.96 121.20 117.72 2wwl s ILE 115 Ca 0.59 -0.46 -0.32 0.00 -2.23 0.00 0.00 60.65 58.23 2wwl s ILE 115 Cb -0.47 -1.22 -0.14 0.00 -1.58 0.00 0.00 42.46 39.05 2wwl s ILE 115 CO 0.54 0.40 1.35 -2.65 -1.23 0.00 0.00 174.94 173.36 2wwl n PRO 116 N 4.68 1.71 0.00 2.79 -0.02 -1.26 -4.83 135.00 138.07 2wwl n PRO 116 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2wwl n PRO 116 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2wwl n PRO 116 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wwl n HIS 117 N 2.02 0.00 -3.00 6.00 8.25 -1.26 -4.96 115.22 122.26 2wwl n HIS 117 Ca 0.14 -0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 2wwl n HIS 117 Cb 0.28 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.43 2wwl n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wwl n ASN 118 N -0.11 -3.24 0.00 0.41 4.13 -1.26 -4.92 115.26 110.28 2wwl n ASN 118 Ca 0.00 -0.35 0.14 0.00 1.68 0.00 0.00 54.58 56.04 2wwl n ASN 118 Cb 0.12 -3.28 0.74 0.00 -1.54 0.00 0.00 39.78 35.82 2wwl n ASN 118 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wwl n GLY 119 N -1.24 -1.08 3.31 7.41 0.00 -1.26 -4.65 105.19 107.69 2wwl n GLY 119 Ca -0.09 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2wwl n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwl s ARG 121 N -4.04 3.45 0.46 0.00 6.06 -1.26 -4.99 118.95 118.63 2wwl s ARG 121 Ca 0.38 -0.64 -0.24 0.00 -2.50 0.00 0.00 55.73 52.73 2wwl s ARG 121 Cb 0.08 -3.56 -0.07 0.00 0.06 0.00 0.00 34.95 31.45 2wwl s ARG 121 CO 0.13 -0.36 1.25 -2.14 -2.50 0.00 0.00 175.30 171.68 2wwl s PRO 122 N 1.64 3.70 1.19 5.12 0.02 -1.26 -5.03 135.00 140.38 2wwl s PRO 122 Ca 0.05 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 62.88 2wwl s PRO 122 Cb -0.17 -2.50 0.28 0.00 0.02 0.00 0.00 34.50 32.14 2wwl s PRO 122 CO 0.07 -0.67 1.14 -2.14 -0.33 0.00 0.00 177.00 175.07 2wwl s PRO 123 N -2.58 -1.12 0.33 5.54 0.02 -1.26 -4.98 135.00 130.95 2wwl s PRO 123 Ca 0.63 -0.17 0.23 0.00 0.02 0.00 0.00 61.00 61.71 2wwl s PRO 123 Cb -0.34 -1.62 0.28 0.00 0.02 0.00 0.00 34.50 32.84 2wwl s PRO 123 CO 0.42 -3.62 1.44 1.57 -0.33 0.00 0.00 177.00 176.48 2wwl h LYS 124 N -2.52 0.00 0.00 5.54 2.10 -2.07 -3.50 116.57 116.12 2wwl h LYS 124 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2wwl h LYS 124 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2wwl h LYS 124 CO 0.32 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.94 2wwl n LYS 125 N -2.83 0.00 -2.52 0.07 3.00 -1.26 -4.50 118.16 110.12 2wwl n LYS 125 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.91 2wwl n LYS 125 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.53 2wwl n LYS 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2wwl s ARG 126 N 0.00 4.33 0.00 1.64 3.52 -1.26 -4.94 118.95 122.25 2wwl s ARG 126 Ca 0.00 1.58 0.23 0.00 -0.13 0.00 0.00 55.73 57.41 2wwl s ARG 126 Cb 0.00 -3.60 0.05 0.00 -1.56 0.00 0.00 34.95 29.84 2wwl s ARG 126 CO 0.00 -0.49 1.13 0.54 -0.81 0.00 0.00 175.30 175.67 2wwl n ARG 127 N 5.53 1.55 0.00 5.12 1.74 -1.26 -5.27 116.66 124.07 2wwl n ARG 127 Ca 0.11 -1.28 0.12 0.00 -0.77 0.00 0.00 57.85 56.04 2wwl n ARG 127 Cb 0.46 -1.47 0.72 0.00 -1.02 0.00 0.00 32.46 31.15 2wwl n ARG 127 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39