#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy n ASP 2 N 0.00 3.35 0.10 6.55 9.92 -1.26 -1.14 116.55 134.07 1bwy n ASP 2 Ca 0.00 -2.11 0.00 0.00 -0.53 0.00 0.00 54.79 52.15 1bwy n ASP 2 Cb 0.00 -0.88 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwy n ALA 3 N 2.86 0.00 -0.88 2.24 0.00 -1.26 -4.89 120.51 118.58 1bwy n ALA 3 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 1bwy n ALA 3 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 1bwy n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bwy n PHE 4 N -2.88 0.00 -2.68 0.00 3.72 -0.29 -4.03 117.46 111.29 1bwy n PHE 4 Ca 0.00 -1.38 -0.08 0.00 -0.05 0.00 0.00 57.45 55.94 1bwy n PHE 4 Cb 0.00 -1.34 0.06 0.00 -0.94 0.00 0.00 39.48 37.26 1bwy n PHE 4 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1bwy n VAL 5 N 2.27 0.68 -3.93 -4.37 3.14 -0.70 -0.03 118.33 115.39 1bwy n VAL 5 Ca 0.33 -2.52 0.00 0.00 -2.96 0.00 0.00 64.34 59.19 1bwy n VAL 5 Cb 0.82 0.82 0.00 0.00 -1.06 0.00 0.00 33.84 34.41 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 6 N -0.30 -0.94 3.77 7.55 0.00 0.13 -4.95 105.19 110.46 1bwy n GLY 6 Ca 0.05 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 1bwy n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s THR 7 N -3.00 4.80 0.19 2.61 2.01 -1.20 -0.87 115.64 120.17 1bwy s THR 7 Ca 0.00 1.34 0.10 0.00 0.31 0.00 0.00 61.69 63.44 1bwy s THR 7 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1bwy s THR 7 CO 0.00 0.45 -0.13 0.26 -0.69 0.00 0.00 174.62 174.51 1bwy s TRP 8 N -0.44 2.55 0.17 4.92 0.52 0.53 -0.31 118.94 126.87 1bwy s TRP 8 Ca 0.32 -0.26 0.11 0.00 0.02 0.00 0.00 56.10 56.29 1bwy s TRP 8 Cb -0.19 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 1bwy s TRP 8 CO 0.19 0.51 -0.24 0.15 0.02 0.00 0.00 176.95 177.59 1bwy s LYS 9 N -2.81 1.42 0.04 4.98 1.02 -0.05 -0.81 119.74 123.52 1bwy s LYS 9 Ca 0.24 -1.43 -0.25 0.00 0.02 0.00 0.00 55.97 54.55 1bwy s LYS 9 Cb -0.08 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1bwy s LYS 9 CO 0.14 0.39 0.75 -1.17 -0.92 0.00 0.00 175.35 174.54 1bwy s LEU 10 N -2.45 4.45 -0.14 3.17 0.20 -0.82 0.05 118.68 123.15 1bwy s LEU 10 Ca 0.17 1.43 0.00 0.00 0.69 0.00 0.00 54.13 56.42 1bwy s LEU 10 Cb -0.08 -3.21 -0.09 0.00 -0.43 0.00 0.00 46.19 42.38 1bwy s LEU 10 CO 0.08 0.02 -0.13 0.55 -0.29 0.00 0.00 176.35 176.59 1bwy n VAL 11 N 2.79 0.77 -3.93 1.68 3.14 0.06 -4.93 118.33 117.91 1bwy n VAL 11 Ca -0.03 -0.29 -0.09 0.00 -2.96 0.00 0.00 64.34 60.98 1bwy n VAL 11 Cb 0.50 -1.05 -0.09 0.00 -1.06 0.00 0.00 33.84 32.15 1bwy n VAL 11 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bwy s ASP 12 N -5.41 0.22 -0.30 6.55 2.15 -1.14 -5.02 116.67 113.72 1bwy s ASP 12 Ca -0.18 -0.68 -0.15 0.00 0.43 0.00 0.00 52.55 51.97 1bwy s ASP 12 Cb 0.05 0.27 0.18 0.00 -0.30 0.00 0.00 42.92 43.12 1bwy s ASP 12 CO 0.30 -0.63 1.09 -0.55 -0.17 0.00 0.00 175.17 175.22 1bwy s SER 13 N -2.62 -0.38 -0.09 -0.34 0.15 -1.26 -0.32 113.70 108.83 1bwy s SER 13 Ca 0.02 0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 1bwy s SER 13 Cb 0.04 1.34 0.04 0.00 -1.71 0.00 0.00 66.02 65.72 1bwy s SER 13 CO -0.09 -0.07 0.42 -1.59 1.20 0.00 0.00 173.24 173.12 1bwy s LYS 14 N 2.82 0.65 0.00 5.44 -2.85 -0.78 -4.90 119.74 120.12 1bwy s LYS 14 Ca -0.02 0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 1bwy s LYS 14 Cb -0.09 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1bwy s LYS 14 CO -0.12 -0.15 0.00 0.09 0.10 0.00 0.00 175.35 175.28 1bwy n ASN 15 N 1.96 0.00 0.03 0.03 4.13 -1.26 -2.82 115.26 117.33 1bwy n ASN 15 Ca -0.17 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 55.89 1bwy n ASN 15 Cb 0.57 -0.28 -0.11 0.00 -1.54 0.00 0.00 39.78 38.42 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1bwy h PHE 16 N 0.00 0.85 0.00 3.10 3.04 -1.90 0.06 116.94 122.09 1bwy h PHE 16 Ca 0.00 -0.47 0.00 0.00 3.98 0.00 0.00 57.97 61.48 1bwy h PHE 16 Cb 0.00 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.42 1bwy h PHE 16 CO 0.00 1.30 0.00 -0.40 -2.02 0.00 0.00 178.31 177.19 1bwy n ASP 17 N -4.01 0.00 -0.36 0.41 5.75 -1.26 -3.32 116.55 113.75 1bwy n ASP 17 Ca -0.11 0.28 0.04 0.00 -0.01 0.00 0.00 54.79 54.99 1bwy n ASP 17 Cb 0.80 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 41.08 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bwy h ASP 18 N 0.00 1.00 -0.80 -1.12 3.58 -1.93 -2.94 116.42 114.21 1bwy h ASP 18 Ca 0.00 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.55 1bwy h ASP 18 Cb 0.00 -0.19 -0.10 0.00 1.72 0.00 0.00 39.33 40.76 1bwy h ASP 18 CO 0.00 0.61 -0.44 0.00 -2.88 0.00 0.00 179.24 176.52 1bwy n TYR 19 N -4.54 -0.28 0.22 0.28 9.36 0.00 0.07 117.16 122.25 1bwy n TYR 19 Ca 0.16 1.00 0.08 0.00 3.32 0.00 0.00 57.90 62.46 1bwy n TYR 19 Cb 0.23 -0.61 0.48 0.00 -0.63 0.00 0.00 39.34 38.81 1bwy n TYR 19 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bwy h MET 20 N 0.00 0.00 -2.36 2.98 -0.00 -1.53 -3.01 114.93 111.01 1bwy h MET 20 Ca 0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.62 1bwy h MET 20 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.91 1bwy h MET 20 CO -0.76 0.27 0.48 1.17 -0.00 0.00 0.00 176.91 178.07 1bwy n LYS 21 N -3.67 1.97 0.00 -0.10 4.81 0.11 -0.51 118.16 120.76 1bwy n LYS 21 Ca -0.01 -1.06 0.00 0.00 -0.87 0.00 0.00 58.31 56.37 1bwy n LYS 21 Cb 0.39 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1bwy n LYS 21 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1bwy n SER 22 N 2.83 0.00 0.07 3.14 3.41 -1.14 -4.94 113.62 116.99 1bwy n SER 22 Ca 0.42 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 59.09 1bwy n SER 22 Cb 0.66 0.14 0.29 0.00 -0.26 0.00 0.00 64.21 65.04 1bwy n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bwy n LEU 23 N -1.67 0.27 -1.22 1.04 4.77 -1.07 -4.86 117.00 114.26 1bwy n LEU 23 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1bwy n LEU 23 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1bwy n LEU 23 CO 0.00 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1bwy n GLY 24 N -1.20 0.61 0.00 -0.72 0.00 -1.15 -4.98 105.19 97.75 1bwy n GLY 24 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1bwy n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bwy n VAL 25 N -1.10 0.00 -3.37 1.61 3.14 -1.14 -5.04 118.33 112.43 1bwy n VAL 25 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1bwy n VAL 25 Cb 0.41 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.13 1bwy n VAL 25 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1bwy s GLY 26 N -0.88 2.31 -0.43 7.55 0.00 0.34 -4.88 107.32 111.33 1bwy s GLY 26 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.56 1bwy s GLY 26 CO 0.00 -0.05 1.15 1.97 0.00 0.00 0.00 173.10 176.17 1bwy n PHE 27 N -0.07 -2.28 0.00 1.90 1.16 -1.26 -4.31 117.46 112.61 1bwy n PHE 27 Ca 0.00 -1.65 0.00 0.00 -1.87 0.00 0.00 57.45 53.93 1bwy n PHE 27 Cb 0.52 1.49 0.00 0.00 -1.61 0.00 0.00 39.48 39.88 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1bwy n ALA 28 N 0.73 0.00 -0.12 1.98 0.00 -1.26 -4.50 120.51 117.34 1bwy n ALA 28 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1bwy n ALA 28 Cb 0.70 -0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 1bwy n ALA 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bwy n THR 29 N -1.28 1.52 0.20 0.00 -1.04 -1.26 -4.47 114.28 107.94 1bwy n THR 29 Ca 0.00 -0.15 0.04 0.00 -2.04 0.00 0.00 64.05 61.91 1bwy n THR 29 Cb 0.00 -2.09 0.20 0.00 -1.82 0.00 0.00 70.33 66.62 1bwy n THR 29 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1bwy n ARG 30 N -4.35 0.03 -0.25 -2.82 0.63 -1.26 -0.55 116.66 108.09 1bwy n ARG 30 Ca -0.36 0.44 -0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1bwy n ARG 30 Cb 0.72 -1.58 0.12 0.00 0.45 0.00 0.00 32.46 32.17 1bwy n ARG 30 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1bwy h GLN 31 N 0.00 0.69 0.07 -0.14 -0.00 -1.87 -1.63 115.11 112.23 1bwy h GLN 31 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1bwy h GLN 31 Cb 0.10 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 27.42 1bwy h GLN 31 CO 0.00 0.46 -0.03 -0.24 -0.00 0.00 0.00 178.83 179.02 1bwy h VAL 32 N 0.71 1.13 0.00 1.86 3.04 -1.10 0.66 116.25 122.54 1bwy h VAL 32 Ca 0.33 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1bwy h VAL 32 Cb 0.25 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 1bwy h VAL 32 CO -0.21 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.13 1bwy n GLY 33 N -0.29 2.02 0.00 3.17 0.00 -1.01 -1.97 105.19 107.11 1bwy n GLY 33 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bwy n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bwy n ASN 34 N 1.61 0.00 -0.12 1.61 6.94 -0.65 -4.85 115.26 119.80 1bwy n ASN 34 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 1bwy n ASN 34 Cb 0.38 0.00 0.19 0.00 -2.36 0.00 0.00 39.78 37.99 1bwy n ASN 34 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 1bwy h MET 35 N 0.00 0.82 -5.27 -3.83 4.05 -0.76 -3.34 114.93 106.60 1bwy h MET 35 Ca 0.00 -0.17 -0.10 0.00 -0.28 0.00 0.00 59.70 59.15 1bwy h MET 35 Cb 0.00 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1bwy h MET 35 CO 0.00 0.75 0.32 -0.08 0.23 0.00 0.00 176.91 178.12 1bwy s THR 36 N -5.19 3.17 -0.39 -0.77 -1.32 -0.83 -4.53 115.64 105.78 1bwy s THR 36 Ca -0.10 -0.26 0.10 0.00 -1.21 0.00 0.00 61.69 60.23 1bwy s THR 36 Cb 0.15 -3.97 0.34 0.00 -1.51 0.00 0.00 72.50 67.51 1bwy s THR 36 CO 0.80 -0.31 0.80 0.29 -2.21 0.00 0.00 174.62 173.99 1bwy n LYS 37 N 8.34 0.97 0.25 7.08 5.02 -1.26 -4.79 118.16 133.77 1bwy n LYS 37 Ca 0.43 -3.05 0.15 0.00 -2.02 0.00 0.00 58.31 53.82 1bwy n LYS 37 Cb 0.46 -1.54 0.56 0.00 -0.02 0.00 0.00 35.03 34.49 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1bwy h PRO 38 N 3.06 0.00 -3.77 1.97 0.13 -1.80 -3.38 132.00 128.22 1bwy h PRO 38 Ca 0.05 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.04 1bwy h PRO 38 Cb 0.99 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.93 1bwy h PRO 38 CO 0.42 0.07 -0.57 0.99 -0.23 0.00 0.00 178.00 178.68 1bwy s THR 39 N -3.61 0.11 -0.22 1.56 2.01 -1.22 -1.94 115.64 112.34 1bwy s THR 39 Ca 0.02 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 1bwy s THR 39 Cb 0.09 -0.59 0.08 0.00 0.01 0.00 0.00 72.50 72.09 1bwy s THR 39 CO 0.59 -0.52 0.51 -0.89 -0.69 0.00 0.00 174.62 173.62 1bwy s THR 40 N -1.93 -0.32 0.11 -0.82 2.01 0.01 -2.76 115.64 111.94 1bwy s THR 40 Ca -0.11 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1bwy s THR 40 Cb -0.05 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 1bwy s THR 40 CO -0.02 0.03 1.02 -0.63 -0.69 0.00 0.00 174.62 174.34 1bwy s ILE 41 N 1.98 4.33 -0.27 1.82 1.01 -0.05 -0.35 121.20 129.68 1bwy s ILE 41 Ca -0.07 1.89 -0.00 0.00 0.00 0.00 0.00 60.65 62.47 1bwy s ILE 41 Cb -0.09 -4.21 0.08 0.00 0.01 0.00 0.00 42.46 38.25 1bwy s ILE 41 CO -0.15 0.27 0.03 -0.63 0.00 0.00 0.00 174.94 174.46 1bwy s ILE 42 N 0.15 1.20 -0.26 2.92 1.01 -0.05 -0.85 121.20 125.32 1bwy s ILE 42 Ca 0.49 -1.29 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1bwy s ILE 42 Cb -0.25 -1.71 0.07 0.00 0.01 0.00 0.00 42.46 40.57 1bwy s ILE 42 CO 0.31 -0.38 -0.05 -0.70 0.00 0.00 0.00 174.94 174.12 1bwy s GLU 43 N 1.50 1.70 -0.15 2.79 2.12 0.11 -0.69 118.70 126.08 1bwy s GLU 43 Ca 0.02 -1.18 -0.32 0.00 0.36 0.00 0.00 54.97 53.86 1bwy s GLU 43 Cb -0.18 -2.69 -0.09 0.00 0.26 0.00 0.00 34.13 31.43 1bwy s GLU 43 CO -0.13 -0.65 2.07 1.55 -0.54 0.00 0.00 175.26 177.55 1bwy n VAL 44 N 4.58 0.47 -3.05 3.70 3.14 0.96 -1.02 118.33 127.11 1bwy n VAL 44 Ca -0.10 -0.26 -0.17 0.00 -2.96 0.00 0.00 64.34 60.85 1bwy n VAL 44 Cb 0.43 -2.16 0.01 0.00 -1.06 0.00 0.00 33.84 31.06 1bwy n VAL 44 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1bwy s ASN 45 N 6.15 5.69 0.01 6.55 0.01 0.82 -4.92 114.94 129.25 1bwy s ASN 45 Ca 0.98 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 52.74 1bwy s ASN 45 Cb -0.55 -0.74 -0.00 0.00 0.41 0.00 0.00 41.25 40.36 1bwy s ASN 45 CO 0.44 -0.73 0.16 0.61 -1.51 0.00 0.00 177.10 176.06 1bwy n GLY 46 N -1.84 -0.36 0.18 0.66 0.00 -1.26 -0.62 105.19 101.96 1bwy n GLY 46 Ca 0.07 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1bwy n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bwy n ASP 47 N -3.09 1.82 -1.62 1.61 5.75 -1.26 -5.09 116.55 114.67 1bwy n ASP 47 Ca 0.00 -1.58 -0.05 0.00 -0.01 0.00 0.00 54.79 53.15 1bwy n ASP 47 Cb 0.02 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1bwy n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bwy n THR 48 N 0.02 0.00 -3.78 2.12 -2.24 0.21 -4.81 114.28 105.80 1bwy n THR 48 Ca 0.03 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1bwy n THR 48 Cb 0.20 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1bwy n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bwy s VAL 49 N -2.39 -0.02 -0.10 2.28 0.11 0.37 -0.12 120.40 120.52 1bwy s VAL 49 Ca 0.11 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1bwy s VAL 49 Cb 0.00 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1bwy s VAL 49 CO 0.08 0.03 0.06 -0.51 -3.33 0.00 0.00 175.10 171.42 1bwy s ILE 50 N 0.54 4.82 -0.11 7.04 2.07 -0.19 -0.55 121.20 134.82 1bwy s ILE 50 Ca -0.04 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 1bwy s ILE 50 Cb -0.05 -3.07 0.01 0.00 0.13 0.00 0.00 42.46 39.49 1bwy s ILE 50 CO -0.03 0.60 -0.16 -0.51 -1.91 0.00 0.00 174.94 172.94 1bwy s ILE 51 N -0.96 1.53 -0.24 2.00 2.07 0.40 -0.71 121.20 125.30 1bwy s ILE 51 Ca 0.14 -0.66 -0.02 0.00 -1.41 0.00 0.00 60.65 58.69 1bwy s ILE 51 Cb -0.12 -1.39 0.08 0.00 0.13 0.00 0.00 42.46 41.16 1bwy s ILE 51 CO 0.03 0.45 0.07 -0.75 -1.91 0.00 0.00 174.94 172.83 1bwy s LYS 52 N 0.95 0.59 -0.15 3.50 2.20 -0.03 -1.07 119.74 125.73 1bwy s LYS 52 Ca -0.07 -0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1bwy s LYS 52 Cb -0.15 -1.94 0.12 0.00 -1.51 0.00 0.00 37.83 34.34 1bwy s LYS 52 CO -0.01 -0.79 1.91 2.41 -0.36 0.00 0.00 175.35 178.51 1bwy n THR 53 N 5.03 2.29 -1.70 3.43 -1.04 -0.63 -0.87 114.28 120.78 1bwy n THR 53 Ca -0.07 -1.01 -0.62 0.00 -2.04 0.00 0.00 64.05 60.32 1bwy n THR 53 Cb 0.45 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 1bwy n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bwy n GLN 54 N 0.81 0.58 -3.15 -2.82 6.02 -1.11 -4.65 117.38 113.06 1bwy n GLN 54 Ca 0.15 0.21 -0.19 0.00 -0.01 0.00 0.00 57.00 57.17 1bwy n GLN 54 Cb 0.57 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1bwy n SER 55 N 4.31 0.38 -0.85 1.08 2.88 -0.24 -3.39 113.62 117.79 1bwy n SER 55 Ca 0.27 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 1bwy n SER 55 Cb 0.05 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1bwy n SER 55 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1bwy n THR 56 N 0.61 -4.26 0.00 2.46 -1.04 -1.26 -4.65 114.28 106.14 1bwy n THR 56 Ca 0.22 1.09 0.00 0.00 -2.04 0.00 0.00 64.05 63.33 1bwy n THR 56 Cb 0.63 -2.51 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 1bwy n THR 56 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1bwy n PHE 57 N 0.23 0.00 -2.76 -1.42 3.72 -1.26 -4.70 117.46 111.27 1bwy n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1bwy n PHE 57 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1bwy n LYS 58 N 0.00 0.00 -1.24 -1.08 4.81 -1.26 -5.16 118.16 114.23 1bwy n LYS 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bwy n LYS 58 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1bwy n LYS 58 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bwy n ASN 59 N -0.23 0.00 -4.62 3.14 2.85 -1.26 -1.08 115.26 114.06 1bwy n ASN 59 Ca 0.00 -0.85 -0.39 0.00 -0.11 0.00 0.00 54.58 53.23 1bwy n ASN 59 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 1bwy n ASN 59 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1bwy n THR 60 N 0.00 3.25 -3.89 -0.44 -2.24 -1.26 -4.76 114.28 104.95 1bwy n THR 60 Ca 0.00 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 1bwy n THR 60 Cb 0.00 -1.18 -0.17 0.00 -2.10 0.00 0.00 70.33 66.88 1bwy n THR 60 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bwy s GLU 61 N -2.51 0.73 0.10 -0.78 2.12 -1.26 -1.60 118.70 115.50 1bwy s GLU 61 Ca 0.71 0.02 0.03 0.00 0.36 0.00 0.00 54.97 56.09 1bwy s GLU 61 Cb -0.46 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 1bwy s GLU 61 CO 0.51 -0.24 -0.08 0.42 -0.54 0.00 0.00 175.26 175.33 1bwy s ILE 62 N 1.65 0.82 0.17 -3.70 1.09 -0.23 -5.02 121.20 115.98 1bwy s ILE 62 Ca 0.00 -1.84 0.06 0.00 -1.10 0.00 0.00 60.65 57.77 1bwy s ILE 62 Cb -0.13 -1.58 -0.04 0.00 -1.06 0.00 0.00 42.46 39.65 1bwy s ILE 62 CO -0.04 -0.76 -0.12 -0.94 -0.10 0.00 0.00 174.94 172.98 1bwy s SER 63 N -2.85 2.09 0.38 3.58 1.04 -1.26 -0.45 113.70 116.22 1bwy s SER 63 Ca 0.10 -1.00 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 1bwy s SER 63 Cb 0.02 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1bwy s SER 63 CO -0.02 -0.26 0.65 0.72 0.98 0.00 0.00 173.24 175.30 1bwy s PHE 64 N -3.14 0.62 -0.10 5.02 -0.12 0.29 -4.98 117.98 115.58 1bwy s PHE 64 Ca 0.18 -1.09 -0.05 0.00 -0.05 0.00 0.00 56.93 55.93 1bwy s PHE 64 Cb 0.01 0.39 0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1bwy s PHE 64 CO 0.03 -1.39 0.22 0.21 -0.05 0.00 0.00 175.22 174.24 1bwy s LYS 65 N -2.54 0.16 -0.82 1.99 2.36 -1.26 -0.48 119.74 119.15 1bwy s LYS 65 Ca 0.23 0.53 -0.26 0.00 -2.55 0.00 0.00 55.97 53.92 1bwy s LYS 65 Cb -0.03 -0.13 -0.22 0.00 -1.05 0.00 0.00 37.83 36.40 1bwy s LYS 65 CO 0.17 -0.19 1.92 1.47 1.55 0.00 0.00 175.35 180.26 1bwy n LEU 66 N 4.44 2.21 0.00 5.43 -0.00 -1.26 -3.27 117.00 124.55 1bwy n LEU 66 Ca -0.22 -2.53 0.00 0.00 -0.00 0.00 0.00 56.01 53.26 1bwy n LEU 66 Cb 0.52 -1.35 0.00 0.00 -0.00 0.00 0.00 43.42 42.59 1bwy n LEU 66 CO 0.13 -2.23 0.00 0.61 -0.00 0.00 0.00 177.39 175.90 1bwy n GLY 67 N 5.51 0.14 3.69 1.47 0.00 0.31 -4.59 105.19 111.73 1bwy n GLY 67 Ca 0.45 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1bwy n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s VAL 68 N 0.00 0.00 0.10 1.61 0.11 -0.31 -4.99 120.40 116.92 1bwy s VAL 68 Ca 0.00 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.62 1bwy s VAL 68 Cb 0.00 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 1bwy s VAL 68 CO 0.00 0.00 -0.14 -1.83 -3.33 0.00 0.00 175.10 169.80 1bwy s GLU 69 N -3.10 0.92 -0.07 1.54 -1.05 -1.26 -0.70 118.70 114.98 1bwy s GLU 69 Ca 0.11 -1.11 -0.31 0.00 -0.15 0.00 0.00 54.97 53.51 1bwy s GLU 69 Cb -0.00 -0.85 0.12 0.00 -0.44 0.00 0.00 34.13 32.96 1bwy s GLU 69 CO -0.00 0.17 1.13 -0.59 0.95 0.00 0.00 175.26 176.92 1bwy s PHE 70 N -1.77 -0.15 0.14 4.83 -0.71 -0.02 -4.98 117.98 115.32 1bwy s PHE 70 Ca 0.04 0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 55.66 1bwy s PHE 70 Cb -0.07 0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 42.21 1bwy s PHE 70 CO 0.02 -0.37 1.23 0.34 -1.34 0.00 0.00 175.22 175.11 1bwy s ASP 71 N -2.54 7.04 -0.54 1.98 -1.08 -1.26 -0.57 116.67 119.69 1bwy s ASP 71 Ca 0.10 2.19 0.04 0.00 -0.52 0.00 0.00 52.55 54.36 1bwy s ASP 71 Cb 0.00 -2.60 0.14 0.00 -1.46 0.00 0.00 42.92 39.01 1bwy s ASP 71 CO -0.04 -0.45 0.32 -0.70 0.52 0.00 0.00 175.17 174.82 1bwy s GLU 72 N 0.35 1.90 -0.47 4.34 2.12 0.93 -4.80 118.70 123.07 1bwy s GLU 72 Ca 0.56 -2.65 -0.22 0.00 0.36 0.00 0.00 54.97 53.02 1bwy s GLU 72 Cb -0.32 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.06 1bwy s GLU 72 CO 0.34 -1.18 0.76 0.99 -0.54 0.00 0.00 175.26 175.63 1bwy s THR 73 N -0.43 4.67 0.13 -1.70 2.01 -1.26 -1.14 115.64 117.92 1bwy s THR 73 Ca 0.20 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.50 1bwy s THR 73 Cb -0.19 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1bwy s THR 73 CO -0.05 -0.75 -0.11 0.28 -0.69 0.00 0.00 174.62 173.30 1bwy s THR 74 N 3.22 1.10 0.00 -0.82 -1.32 -0.28 -4.94 115.64 112.60 1bwy s THR 74 Ca 0.27 -1.87 -0.05 0.00 -1.21 0.00 0.00 61.69 58.83 1bwy s THR 74 Cb -0.13 -1.64 -0.25 0.00 -1.51 0.00 0.00 72.50 68.97 1bwy s THR 74 CO 0.21 -0.64 3.47 0.00 -2.21 0.00 0.00 174.62 175.45 1bwy n ALA 75 N 0.16 6.15 -1.00 11.08 0.00 -1.26 -1.14 120.51 134.50 1bwy n ALA 75 Ca -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1bwy n ALA 75 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1bwy n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bwy n ASP 76 N 2.43 0.00 0.00 0.00 5.75 -1.26 -4.92 116.55 118.55 1bwy n ASP 76 Ca 0.39 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 55.18 1bwy n ASP 76 Cb 0.88 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 41.01 1bwy n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bwy n ASP 77 N -0.42 0.00 0.00 -1.12 8.00 -1.25 -4.82 116.55 116.94 1bwy n ASP 77 Ca 0.00 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1bwy n ASP 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bwy n ARG 78 N -0.53 0.00 -2.42 -1.24 1.74 -0.29 -3.67 116.66 110.25 1bwy n ARG 78 Ca 0.01 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 1bwy n ARG 78 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bwy s LYS 79 N 0.00 3.50 0.40 5.56 2.20 -1.26 -1.12 119.74 129.02 1bwy s LYS 79 Ca 0.00 -1.62 0.04 0.00 -0.36 0.00 0.00 55.97 54.03 1bwy s LYS 79 Cb 0.00 -5.42 -0.00 0.00 -1.51 0.00 0.00 37.83 30.89 1bwy s LYS 79 CO 0.00 -2.74 0.58 0.54 -0.36 0.00 0.00 175.35 173.37 1bwy s VAL 80 N 6.30 3.87 -0.17 4.02 0.11 -0.29 -4.86 120.40 129.38 1bwy s VAL 80 Ca 0.57 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1bwy s VAL 80 Cb 0.02 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1bwy s VAL 80 CO 0.07 -0.21 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.87 1bwy s LYS 81 N -4.39 3.69 0.12 1.54 2.20 0.64 -0.05 119.74 123.49 1bwy s LYS 81 Ca 0.48 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 1bwy s LYS 81 Cb -0.10 -3.01 -0.06 0.00 -1.51 0.00 0.00 37.83 33.15 1bwy s LYS 81 CO 0.35 0.16 0.99 -1.12 -0.36 0.00 0.00 175.35 175.37 1bwy s SER 82 N 0.59 7.45 -0.16 1.43 0.01 0.26 -0.71 113.70 122.57 1bwy s SER 82 Ca -0.01 1.84 -0.00 0.00 1.31 0.00 0.00 55.95 59.08 1bwy s SER 82 Cb -0.14 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1bwy s SER 82 CO 0.02 -0.10 -0.05 -0.51 0.41 0.00 0.00 173.24 173.01 1bwy s ILE 83 N 0.02 1.10 0.01 1.44 2.07 0.01 -0.84 121.20 125.02 1bwy s ILE 83 Ca 0.48 -0.61 0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1bwy s ILE 83 Cb -0.24 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 1bwy s ILE 83 CO 0.30 0.14 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.64 1bwy s VAL 84 N 1.64 1.13 0.31 4.00 1.01 0.12 -0.74 120.40 127.88 1bwy s VAL 84 Ca 0.01 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1bwy s VAL 84 Cb -0.15 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1bwy s VAL 84 CO -0.08 0.20 0.65 -0.89 0.00 0.00 0.00 175.10 174.97 1bwy s THR 85 N -0.54 0.00 0.08 3.92 2.01 -0.57 -0.53 115.64 120.01 1bwy s THR 85 Ca 0.04 -1.19 0.07 0.00 0.31 0.00 0.00 61.69 60.93 1bwy s THR 85 Cb -0.06 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1bwy s THR 85 CO 0.00 0.00 -0.19 -1.48 -0.69 0.00 0.00 174.62 172.26 1bwy s LEU 86 N -3.03 2.25 -0.29 4.42 0.05 -1.26 -0.11 118.68 120.70 1bwy s LEU 86 Ca 0.18 -0.61 0.00 0.00 0.05 0.00 0.00 54.13 53.75 1bwy s LEU 86 Cb -0.04 -0.83 0.06 0.00 -2.05 0.00 0.00 46.19 43.34 1bwy s LEU 86 CO 0.11 0.06 -0.03 -0.62 -0.55 0.00 0.00 176.35 175.32 1bwy s ASP 87 N -1.60 4.74 0.00 1.48 2.15 -0.01 -4.88 116.67 118.55 1bwy s ASP 87 Ca 0.05 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1bwy s ASP 87 Cb -0.09 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 1bwy s ASP 87 CO 0.03 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 1bwy n GLY 88 N 4.53 0.93 2.68 2.66 0.00 -1.26 -2.78 105.19 111.95 1bwy n GLY 88 Ca -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1bwy n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwy n GLY 89 N 0.00 -0.88 3.29 -0.02 0.00 -1.26 -5.11 105.19 101.21 1bwy n GLY 89 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 46.02 46.66 1bwy n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 90 N 0.13 0.46 -0.25 1.61 1.02 -1.12 -4.89 119.74 116.70 1bwy s LYS 90 Ca 0.21 0.93 -0.20 0.00 0.02 0.00 0.00 55.97 56.94 1bwy s LYS 90 Cb 0.29 0.54 -0.02 0.00 -0.52 0.00 0.00 37.83 38.12 1bwy s LYS 90 CO -0.15 -0.37 0.61 -0.48 -0.92 0.00 0.00 175.35 174.03 1bwy s LEU 91 N 2.83 4.07 -0.18 3.17 2.34 -0.42 -0.83 118.68 129.67 1bwy s LEU 91 Ca 0.08 0.69 -0.06 0.00 0.06 0.00 0.00 54.13 54.90 1bwy s LEU 91 Cb -0.12 -2.82 -0.04 0.00 -0.56 0.00 0.00 46.19 42.65 1bwy s LEU 91 CO -0.18 -0.34 0.04 0.68 -1.06 0.00 0.00 176.35 175.49 1bwy s VAL 92 N 2.36 4.57 -0.35 1.48 -7.23 0.84 -0.77 120.40 121.30 1bwy s VAL 92 Ca 0.26 -0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.28 1bwy s VAL 92 Cb -0.16 -3.04 0.07 0.00 0.56 0.00 0.00 36.38 33.81 1bwy s VAL 92 CO 0.09 0.47 0.10 -2.28 -0.31 0.00 0.00 175.10 173.17 1bwy s HIS 93 N 0.36 3.39 -0.13 2.82 5.04 -0.01 -1.51 115.29 125.25 1bwy s HIS 93 Ca 0.01 -1.99 -0.27 0.00 -1.54 0.00 0.00 55.06 51.27 1bwy s HIS 93 Cb -0.13 -2.57 -0.01 0.00 0.04 0.00 0.00 32.58 29.91 1bwy s HIS 93 CO 0.01 -0.85 0.92 0.08 -2.34 0.00 0.00 174.74 172.55 1bwy s VAL 94 N 1.24 4.84 -0.44 0.89 1.01 0.08 -1.77 120.40 126.26 1bwy s VAL 94 Ca 0.01 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.85 1bwy s VAL 94 Cb -0.21 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.07 1bwy s VAL 94 CO -0.01 0.03 0.21 -1.58 0.00 0.00 0.00 175.10 173.75 1bwy s GLN 95 N 1.96 1.44 -0.29 2.72 0.74 0.43 -0.81 119.66 125.85 1bwy s GLN 95 Ca 0.44 -2.06 -0.06 0.00 0.05 0.00 0.00 55.36 53.73 1bwy s GLN 95 Cb -0.18 -2.68 0.02 0.00 1.10 0.00 0.00 33.01 31.28 1bwy s GLN 95 CO 0.16 -1.10 0.06 0.21 -0.55 0.00 0.00 175.29 174.06 1bwy s LYS 96 N 0.38 2.95 -0.19 1.67 2.20 0.11 -0.51 119.74 126.35 1bwy s LYS 96 Ca 0.16 -0.94 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 1bwy s LYS 96 Cb -0.24 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 1bwy s LYS 96 CO -0.04 -0.48 -0.12 -2.67 -0.36 0.00 0.00 175.35 171.69 1bwy n TRP 97 N 4.81 0.64 0.00 4.03 2.14 -1.04 -0.26 117.44 127.76 1bwy n TRP 97 Ca -0.14 0.28 0.00 0.00 2.07 0.00 0.00 57.50 59.70 1bwy n TRP 97 Cb 0.47 -0.86 0.00 0.00 -0.81 0.00 0.00 31.31 30.11 1bwy n TRP 97 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1bwy n ASN 98 N -4.47 0.00 0.23 -0.67 6.94 -1.26 -4.71 115.26 111.32 1bwy n ASN 98 Ca -0.24 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.43 1bwy n ASN 98 Cb 0.54 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.48 1bwy n ASN 98 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1bwy h GLY 99 N 0.00 0.00 -1.02 4.83 0.00 -2.03 -3.45 103.07 101.39 1bwy h GLY 99 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1bwy h GLY 99 CO 0.00 0.00 -0.25 -1.06 0.00 0.00 0.00 176.54 175.23 1bwy n GLN 100 N -3.38 0.23 -4.01 4.80 3.00 -1.26 -5.19 117.38 111.58 1bwy n GLN 100 Ca -0.00 -1.82 -0.10 0.00 -0.01 0.00 0.00 57.00 55.07 1bwy n GLN 100 Cb 0.39 1.50 -0.07 0.00 0.00 0.00 0.00 30.24 32.07 1bwy n GLN 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1bwy s GLU 101 N -2.73 1.20 0.11 -1.09 -6.30 -1.26 -2.50 118.70 106.13 1bwy s GLU 101 Ca 0.22 -1.26 0.05 0.00 -2.50 0.00 0.00 54.97 51.48 1bwy s GLU 101 Cb 0.01 0.37 -0.04 0.00 0.00 0.00 0.00 34.13 34.47 1bwy s GLU 101 CO 0.15 -0.44 -0.13 -0.08 0.02 0.00 0.00 175.26 174.78 1bwy s THR 102 N -4.00 1.22 -0.05 -1.70 -1.32 0.34 -4.91 115.64 105.22 1bwy s THR 102 Ca 0.21 -1.62 0.05 0.00 -1.21 0.00 0.00 61.69 59.12 1bwy s THR 102 Cb 0.03 -1.41 -0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1bwy s THR 102 CO 0.03 -0.40 -0.19 -0.94 -2.21 0.00 0.00 174.62 170.90 1bwy s SER 103 N -2.31 3.58 0.05 8.08 1.04 -1.12 -0.42 113.70 122.60 1bwy s SER 103 Ca 0.06 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 1bwy s SER 103 Cb -0.06 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 1bwy s SER 103 CO 0.02 0.30 0.11 -1.48 0.98 0.00 0.00 173.24 173.17 1bwy s LEU 104 N -0.47 1.78 0.08 2.42 0.05 -0.73 -2.00 118.68 119.82 1bwy s LEU 104 Ca 0.06 -0.61 0.05 0.00 0.05 0.00 0.00 54.13 53.67 1bwy s LEU 104 Cb -0.12 0.67 -0.03 0.00 -2.05 0.00 0.00 46.19 44.66 1bwy s LEU 104 CO 0.01 -0.57 -0.12 0.68 -0.55 0.00 0.00 176.35 175.80 1bwy s VAL 105 N -3.05 1.04 -0.03 1.48 -7.23 -0.42 -0.83 120.40 111.36 1bwy s VAL 105 Ca -0.01 -1.44 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1bwy s VAL 105 Cb 0.01 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1bwy s VAL 105 CO -0.07 -0.36 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.02 1bwy s ARG 106 N -2.16 1.87 -0.10 4.82 0.52 0.05 -2.77 118.95 121.19 1bwy s ARG 106 Ca 0.01 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.24 1bwy s ARG 106 Cb -0.07 -1.72 0.05 0.00 0.52 0.00 0.00 34.95 33.73 1bwy s ARG 106 CO 0.02 0.40 0.56 -2.00 0.02 0.00 0.00 175.30 174.29 1bwy s GLU 107 N -0.32 0.84 -0.07 3.54 2.56 -1.17 -1.30 118.70 122.78 1bwy s GLU 107 Ca 0.03 0.33 -0.01 0.00 0.00 0.00 0.00 54.97 55.33 1bwy s GLU 107 Cb -0.10 0.39 0.03 0.00 2.00 0.00 0.00 34.13 36.45 1bwy s GLU 107 CO 0.01 -0.21 -0.02 1.41 -0.56 0.00 0.00 175.26 175.88 1bwy s MET 108 N -0.73 0.84 0.47 4.30 -2.45 -1.26 -0.34 119.30 120.13 1bwy s MET 108 Ca -0.08 -0.01 0.03 0.00 -1.25 0.00 0.00 55.69 54.38 1bwy s MET 108 Cb -0.03 -1.06 -0.03 0.00 1.25 0.00 0.00 34.83 34.96 1bwy s MET 108 CO 0.06 -0.24 0.02 0.14 1.05 0.00 0.00 175.02 176.04 1bwy s VAL 109 N 1.68 1.26 0.00 10.11 -7.23 -1.19 -4.94 120.40 120.08 1bwy s VAL 109 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1bwy s VAL 109 Cb -0.13 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1bwy s VAL 109 CO -0.05 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.07 1bwy n ASP 110 N -1.19 0.00 -0.15 4.85 2.03 -1.26 -1.50 116.55 119.34 1bwy n ASP 110 Ca -0.14 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.19 1bwy n ASP 110 Cb 0.67 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.11 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 1.49 3.17 0.27 0.00 -1.26 -5.08 105.19 103.79 1bwy n GLY 111 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1bwy n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 112 N -1.02 2.14 -0.33 1.61 1.02 -0.56 -2.54 119.74 120.06 1bwy s LYS 112 Ca 0.09 -0.71 -0.14 0.00 0.02 0.00 0.00 55.97 55.22 1bwy s LYS 112 Cb 0.08 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 1bwy s LYS 112 CO 0.01 0.26 0.33 -1.17 -0.92 0.00 0.00 175.35 173.85 1bwy s LEU 113 N 0.07 4.36 -0.23 3.17 2.96 0.53 -3.20 118.68 126.34 1bwy s LEU 113 Ca -0.06 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.44 1bwy s LEU 113 Cb -0.13 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 1bwy s LEU 113 CO 0.04 -0.28 0.77 -0.63 -1.32 0.00 0.00 176.35 174.93 1bwy s ILE 114 N 1.96 4.89 -0.36 6.68 -1.09 0.54 -0.51 121.20 133.31 1bwy s ILE 114 Ca 0.11 1.45 -0.13 0.00 -2.23 0.00 0.00 60.65 59.85 1bwy s ILE 114 Cb -0.17 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1bwy s ILE 114 CO 0.11 -0.02 0.25 -0.76 -1.23 0.00 0.00 174.94 173.29 1bwy s LEU 115 N 2.56 4.68 -0.16 2.97 2.01 0.11 -3.03 118.68 127.82 1bwy s LEU 115 Ca 0.33 -0.62 -0.02 0.00 0.01 0.00 0.00 54.13 53.82 1bwy s LEU 115 Cb -0.16 -2.12 -0.02 0.00 0.01 0.00 0.00 46.19 43.90 1bwy s LEU 115 CO 0.09 -0.31 -0.07 -0.89 1.01 0.00 0.00 176.35 176.18 1bwy s THR 116 N 1.69 3.48 -0.19 5.49 2.01 -1.12 -0.70 115.64 126.30 1bwy s THR 116 Ca 0.05 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1bwy s THR 116 Cb -0.18 -2.52 0.07 0.00 0.01 0.00 0.00 72.50 69.88 1bwy s THR 116 CO 0.10 0.49 0.08 -0.22 -0.69 0.00 0.00 174.62 174.38 1bwy s LEU 117 N 0.60 0.62 -0.01 4.42 2.96 -0.16 -1.30 118.68 125.81 1bwy s LEU 117 Ca -0.05 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.12 1bwy s LEU 117 Cb -0.15 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 1bwy s LEU 117 CO 0.03 -0.35 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.71 1bwy s THR 118 N 2.05 0.87 -0.34 3.68 2.01 -0.84 -0.24 115.64 122.82 1bwy s THR 118 Ca 0.02 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1bwy s THR 118 Cb -0.16 -0.74 0.13 0.00 0.01 0.00 0.00 72.50 71.74 1bwy s THR 118 CO -0.13 0.25 0.19 -2.28 -0.69 0.00 0.00 174.62 171.97 1bwy s HIS 119 N -0.12 0.66 0.00 4.92 5.04 -1.24 -2.77 115.29 121.78 1bwy s HIS 119 Ca 0.02 -1.48 0.00 0.00 -1.54 0.00 0.00 55.06 52.06 1bwy s HIS 119 Cb -0.06 -0.93 0.00 0.00 0.04 0.00 0.00 32.58 31.64 1bwy s HIS 119 CO -0.00 -0.83 0.00 0.41 -2.34 0.00 0.00 174.74 171.98 1bwy n GLY 120 N 4.28 3.69 0.25 1.59 0.00 -1.26 -2.18 105.19 111.56 1bwy n GLY 120 Ca 0.08 0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bwy h THR 121 N 0.00 1.20 0.00 2.61 1.35 -2.03 -3.37 112.91 112.67 1bwy h THR 121 Ca 0.00 -0.52 -0.70 0.00 -0.55 0.00 0.00 66.41 64.64 1bwy h THR 121 Cb 0.00 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 1bwy h THR 121 CO 0.00 0.22 3.24 0.00 -0.25 0.00 0.00 175.52 178.73 1bwy n ALA 122 N -2.32 5.85 -1.76 6.62 0.00 -0.93 -4.94 120.51 123.04 1bwy n ALA 122 Ca 0.04 -3.78 -0.41 0.00 0.00 0.00 0.00 53.44 49.28 1bwy n ALA 122 Cb 0.10 -3.51 -0.01 0.00 0.00 0.00 0.00 19.45 16.03 1bwy n ALA 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bwy n VAL 123 N 4.84 1.28 -3.92 0.00 0.31 -1.26 -3.58 118.33 116.01 1bwy n VAL 123 Ca 0.57 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 64.49 1bwy n VAL 123 Cb 0.36 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 31.22 1bwy n VAL 123 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bwy s THR 125 N -3.89 0.14 0.26 0.00 -4.23 -1.13 -0.99 115.64 105.81 1bwy s THR 125 Ca 0.07 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1bwy s THR 125 Cb 0.05 -0.86 -0.05 0.00 1.34 0.00 0.00 72.50 72.98 1bwy s THR 125 CO -0.09 -0.65 0.08 -0.13 -0.54 0.00 0.00 174.62 173.28 1bwy s ARG 126 N -2.57 1.43 -0.07 3.99 0.52 0.12 -1.87 118.95 120.50 1bwy s ARG 126 Ca -0.05 -1.77 -0.03 0.00 -0.52 0.00 0.00 55.73 53.36 1bwy s ARG 126 Cb -0.02 -0.41 0.04 0.00 0.52 0.00 0.00 34.95 35.08 1bwy s ARG 126 CO -0.05 -0.25 0.10 0.95 0.02 0.00 0.00 175.30 176.08 1bwy s THR 127 N -3.63 -0.16 0.32 0.02 -4.23 0.56 -0.71 115.64 107.80 1bwy s THR 127 Ca 0.36 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.31 1bwy s THR 127 Cb 0.08 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 1bwy s THR 127 CO 0.13 0.13 0.09 -0.31 -0.54 0.00 0.00 174.62 174.12 1bwy s TYR 128 N 2.21 2.70 -0.07 3.99 1.51 0.33 -0.76 117.35 127.26 1bwy s TYR 128 Ca 0.04 -0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1bwy s TYR 128 Cb -0.12 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1bwy s TYR 128 CO -0.05 0.43 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.79 1bwy s GLU 129 N -3.79 0.93 -0.27 -0.62 2.12 0.11 -0.35 118.70 116.83 1bwy s GLU 129 Ca 0.36 -0.06 -0.28 0.00 0.36 0.00 0.00 54.97 55.34 1bwy s GLU 129 Cb -0.03 -1.07 -0.03 0.00 0.26 0.00 0.00 34.13 33.25 1bwy s GLU 129 CO 0.22 -0.20 1.88 0.21 -0.54 0.00 0.00 175.26 176.83 1bwy s LYS 130 N 1.49 3.39 -0.20 4.30 2.20 -1.05 -0.87 119.74 129.00 1bwy s LYS 130 Ca -0.02 1.67 0.10 0.00 -0.36 0.00 0.00 55.97 57.36 1bwy s LYS 130 Cb -0.13 -4.21 -0.22 0.00 -1.51 0.00 0.00 37.83 31.75 1bwy s LYS 130 CO -0.04 -1.79 0.06 0.94 -0.36 0.00 0.00 175.35 174.17 1bwy n GLN 131 N 8.35 0.68 0.00 4.03 -0.06 0.58 -4.94 117.38 126.02 1bwy n GLN 131 Ca 0.24 0.10 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 1bwy n GLN 131 Cb 0.46 -1.57 0.00 0.00 -4.06 0.00 0.00 30.24 25.07 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86