#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 3.85 0.00 6.55 9.92 -1.26 -1.14 116.55 134.47 1bwy n ASP 2 Ca 0.00 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.00 1bwy n ASP 2 Cb 0.00 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 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 4.46 0.00 -0.33 2.24 0.00 -1.26 -4.95 120.51 120.68 1bwy n ALA 3 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 1bwy n ALA 3 Cb 0.11 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.66 1bwy n ALA 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bwy h PHE 4 N 0.00 1.23 0.00 0.00 0.04 -1.50 -3.44 116.94 113.28 1bwy h PHE 4 Ca 0.00 -0.03 -0.56 0.00 2.80 0.00 0.00 57.97 60.18 1bwy h PHE 4 Cb 0.00 -0.39 -0.06 0.00 2.20 0.00 0.00 35.95 37.69 1bwy h PHE 4 CO 0.00 0.85 1.44 0.28 -0.60 0.00 0.00 178.31 180.28 1bwy n VAL 5 N -4.33 0.00 0.00 -0.55 0.31 -1.25 -4.57 118.33 107.94 1bwy n VAL 5 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1bwy n VAL 5 Cb 0.10 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 6 N 6.31 0.98 3.62 2.92 0.00 0.30 -5.02 105.19 114.30 1bwy n GLY 6 Ca 0.56 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.70 4.70 0.26 2.61 2.01 -1.26 -1.05 115.64 121.21 1bwy s THR 7 Ca 0.00 1.39 0.05 0.00 0.31 0.00 0.00 61.69 63.44 1bwy s THR 7 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1bwy s THR 7 CO 0.00 -0.32 0.39 0.26 -0.69 0.00 0.00 174.62 174.25 1bwy s TRP 8 N 3.19 3.37 -0.09 4.92 0.52 0.33 -0.71 118.94 130.47 1bwy s TRP 8 Ca 0.37 -0.07 -0.06 0.00 0.02 0.00 0.00 56.10 56.36 1bwy s TRP 8 Cb -0.14 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1bwy s TRP 8 CO 0.13 0.34 0.23 0.21 0.02 0.00 0.00 176.95 177.87 1bwy s LYS 9 N -4.03 0.23 0.23 4.98 2.36 0.22 -0.11 119.74 123.63 1bwy s LYS 9 Ca 0.37 0.40 -0.30 0.00 -2.55 0.00 0.00 55.97 53.89 1bwy s LYS 9 Cb -0.09 0.01 -0.09 0.00 -1.05 0.00 0.00 37.83 36.60 1bwy s LYS 9 CO 0.29 -0.09 1.35 -1.17 1.55 0.00 0.00 175.35 177.28 1bwy s LEU 10 N 0.64 4.41 -0.10 5.43 0.20 -0.09 -0.84 118.68 128.33 1bwy s LEU 10 Ca -0.04 2.53 0.01 0.00 0.69 0.00 0.00 54.13 57.32 1bwy s LEU 10 Cb -0.06 -3.62 -0.07 0.00 -0.43 0.00 0.00 46.19 42.02 1bwy s LEU 10 CO -0.04 -0.58 -0.08 0.55 -0.29 0.00 0.00 176.35 175.91 1bwy n VAL 11 N 2.27 0.57 -4.07 1.68 3.14 -0.01 -4.70 118.33 117.21 1bwy n VAL 11 Ca 0.05 -0.22 -0.09 0.00 -2.96 0.00 0.00 64.34 61.13 1bwy n VAL 11 Cb 0.42 -0.85 -0.09 0.00 -1.06 0.00 0.00 33.84 32.25 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 -4.92 0.33 -0.24 6.55 2.15 -0.73 -5.03 116.67 114.77 1bwy s ASP 12 Ca -0.13 -1.03 -0.29 0.00 0.43 0.00 0.00 52.55 51.53 1bwy s ASP 12 Cb 0.03 0.28 0.16 0.00 -0.30 0.00 0.00 42.92 43.10 1bwy s ASP 12 CO 0.23 -0.70 1.21 -0.55 -0.17 0.00 0.00 175.17 175.19 1bwy s SER 13 N -2.97 -0.19 0.32 -0.34 0.15 -1.26 -0.27 113.70 109.14 1bwy s SER 13 Ca 0.15 0.23 0.09 0.00 0.70 0.00 0.00 55.95 57.11 1bwy s SER 13 Cb 0.07 0.18 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1bwy s SER 13 CO -0.04 -0.16 -0.09 -0.54 1.20 0.00 0.00 173.24 173.60 1bwy s LYS 14 N -0.92 1.73 0.00 5.44 1.02 -0.97 -4.88 119.74 121.16 1bwy s LYS 14 Ca 0.04 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 54.16 1bwy s LYS 14 Cb -0.01 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1bwy s LYS 14 CO -0.05 0.13 0.00 -1.71 -0.92 0.00 0.00 175.35 172.80 1bwy n ASN 15 N -0.71 0.00 -0.30 2.83 4.05 -1.26 -4.40 115.26 115.47 1bwy n ASN 15 Ca -0.05 0.00 0.13 0.00 0.45 0.00 0.00 54.58 55.11 1bwy n ASN 15 Cb 0.63 -0.14 0.31 0.00 1.23 0.00 0.00 39.78 41.81 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 1bwy h PHE 16 N 0.00 0.56 0.53 1.20 3.57 -1.90 0.15 116.94 121.05 1bwy h PHE 16 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1bwy h PHE 16 Cb 0.00 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 38.64 1bwy h PHE 16 CO 0.00 -0.11 -0.25 0.22 -2.23 0.00 0.00 178.31 175.94 1bwy h ASP 17 N 0.33 -0.60 -0.96 0.41 1.82 -1.91 -2.40 116.42 113.12 1bwy h ASP 17 Ca 0.56 0.02 0.19 0.00 -0.39 0.00 0.00 57.03 57.41 1bwy h ASP 17 Cb 1.10 0.16 -0.18 0.00 0.68 0.00 0.00 39.33 41.08 1bwy h ASP 17 CO -0.57 -0.28 -0.25 -0.78 -1.61 0.00 0.00 179.24 175.75 1bwy h ASP 18 N -1.01 -0.91 -0.53 2.28 3.58 -1.73 0.23 116.42 118.33 1bwy h ASP 18 Ca -0.07 0.29 0.11 0.00 0.42 0.00 0.00 57.03 57.77 1bwy h ASP 18 Cb 0.54 0.60 -0.09 0.00 1.72 0.00 0.00 39.33 42.10 1bwy h ASP 18 CO 0.12 -0.32 -0.06 0.22 -2.88 0.00 0.00 179.24 176.32 1bwy h TYR 19 N -0.00 -0.14 -0.19 0.28 5.03 -0.74 -0.48 116.97 120.72 1bwy h TYR 19 Ca 0.46 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.63 1bwy h TYR 19 Cb 0.70 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.12 1bwy h TYR 19 CO -0.75 -0.17 -0.59 0.00 -1.32 0.00 0.00 178.16 175.33 1bwy h MET 20 N 0.06 0.63 -1.99 1.82 -0.00 -0.22 -3.18 114.93 112.05 1bwy h MET 20 Ca 0.26 -0.42 -0.23 0.00 -0.00 0.00 0.00 59.70 59.32 1bwy h MET 20 Cb 0.41 0.06 -0.08 0.00 -0.00 0.00 0.00 31.60 31.98 1bwy h MET 20 CO -0.49 1.03 -0.21 1.17 -0.00 0.00 0.00 176.91 178.42 1bwy n LYS 21 N -3.95 1.97 0.00 -0.10 0.00 0.51 -2.40 118.16 114.19 1bwy n LYS 21 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 58.31 57.13 1bwy n LYS 21 Cb 0.63 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.74 1bwy n LYS 21 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bwy n SER 22 N 2.09 0.00 -1.32 3.14 3.41 -1.21 -4.87 113.62 114.86 1bwy n SER 22 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1bwy n SER 22 Cb 0.81 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 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 -2.08 1.20 0.00 1.04 4.77 -1.01 -4.78 117.00 116.15 1bwy n LEU 23 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1bwy n LEU 23 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1bwy n LEU 23 CO 0.00 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1bwy n GLY 24 N 1.23 1.21 2.47 -0.72 0.00 -1.25 -4.77 105.19 103.36 1bwy n GLY 24 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.55 -3.72 1.61 3.14 -1.23 -4.87 118.33 114.81 1bwy n VAL 25 Ca 0.00 -0.85 -0.34 0.00 -2.96 0.00 0.00 64.34 60.19 1bwy n VAL 25 Cb 0.00 -1.83 -0.05 0.00 -1.06 0.00 0.00 33.84 30.89 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 3.11 2.26 -0.00 7.55 0.00 -1.15 -4.20 107.32 114.89 1bwy s GLY 26 Ca 0.29 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 1bwy s GLY 26 CO -0.01 -0.37 1.27 -0.11 0.00 0.00 0.00 173.10 173.87 1bwy s PHE 27 N -1.36 -0.03 -1.94 1.90 -0.12 -1.26 -5.01 117.98 110.16 1bwy s PHE 27 Ca 0.30 -0.09 0.31 0.00 -0.05 0.00 0.00 56.93 57.40 1bwy s PHE 27 Cb -0.13 0.56 1.71 0.00 -0.63 0.00 0.00 43.02 44.52 1bwy s PHE 27 CO 0.18 -0.32 2.12 0.00 -0.05 0.00 0.00 175.22 177.15 1bwy n ALA 28 N -0.57 2.65 -0.02 1.99 0.00 -1.26 -4.36 120.51 118.94 1bwy n ALA 28 Ca -0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1bwy n ALA 28 Cb 0.62 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1bwy n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bwy h THR 29 N 0.29 1.28 -0.76 0.00 2.02 -2.00 -3.41 112.91 110.34 1bwy h THR 29 Ca 0.00 -1.62 -0.06 0.00 0.77 0.00 0.00 66.41 65.50 1bwy h THR 29 Cb 0.12 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1bwy h THR 29 CO 0.00 0.38 0.25 -0.09 0.37 0.00 0.00 175.52 176.43 1bwy h ARG 30 N -0.85 1.17 -0.83 6.66 2.43 -1.96 0.17 114.38 121.17 1bwy h ARG 30 Ca -0.01 -0.24 0.29 0.00 -0.81 0.00 0.00 59.98 59.21 1bwy h ARG 30 Cb 0.67 -0.17 -0.15 0.00 -0.42 0.00 0.00 29.97 29.89 1bwy h ARG 30 CO 0.01 0.98 0.23 0.00 -1.51 0.00 0.00 179.97 179.69 1bwy n GLN 31 N -4.26 -0.06 -0.08 0.20 10.64 -1.26 0.10 117.38 122.66 1bwy n GLN 31 Ca 0.06 1.20 -0.16 0.00 -1.83 0.00 0.00 57.00 56.27 1bwy n GLN 31 Cb 0.22 -2.02 -0.13 0.00 -0.86 0.00 0.00 30.24 27.46 1bwy n GLN 31 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1bwy h VAL 32 N 0.00 1.54 -1.27 -0.39 2.07 -1.03 -3.34 116.25 113.83 1bwy h VAL 32 Ca 0.60 -2.29 0.37 0.00 0.82 0.00 0.00 66.70 66.20 1bwy h VAL 32 Cb 1.45 3.04 -0.07 0.00 -1.52 0.00 0.00 31.29 34.20 1bwy h VAL 32 CO -0.71 0.52 0.89 1.23 0.02 0.00 0.00 177.57 179.52 1bwy h GLY 33 N -1.00 0.36 1.05 2.17 0.00 0.12 0.25 103.07 106.00 1bwy h GLY 33 Ca -0.10 -0.05 -0.33 0.00 0.00 0.00 0.00 47.33 46.85 1bwy h GLY 33 CO -0.06 -0.06 -1.67 3.45 0.00 0.00 0.00 176.54 178.20 1bwy h ASN 34 N 0.08 0.47 0.39 0.19 7.08 -0.53 -3.38 115.58 119.87 1bwy h ASN 34 Ca 0.64 -0.71 -0.15 0.00 -3.08 0.00 0.00 56.30 53.00 1bwy h ASN 34 Cb 2.33 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 38.41 1bwy h ASN 34 CO -0.10 1.60 -0.62 -0.03 -2.08 0.00 0.00 177.43 176.19 1bwy h MET 35 N 0.08 0.23 -2.47 4.14 4.05 -0.76 -3.34 114.93 116.86 1bwy h MET 35 Ca -0.30 -0.16 -0.26 0.00 -0.28 0.00 0.00 59.70 58.69 1bwy h MET 35 Cb 2.05 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.85 1bwy h MET 35 CO 0.16 0.78 0.77 -2.37 0.23 0.00 0.00 176.91 176.48 1bwy n THR 36 N -3.85 2.73 -3.85 -0.77 5.66 0.25 -4.80 114.28 109.64 1bwy n THR 36 Ca -0.02 -1.46 -0.24 0.00 -3.05 0.00 0.00 64.05 59.28 1bwy n THR 36 Cb 0.63 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.37 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bwy n LYS 37 N 2.95 -0.66 -2.45 1.09 5.02 -1.25 -4.79 118.16 118.06 1bwy n LYS 37 Ca 0.43 -0.18 -0.39 0.00 -2.02 0.00 0.00 58.31 56.15 1bwy n LYS 37 Cb 0.59 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bwy s PRO 38 N -6.18 4.43 1.13 1.97 0.04 -1.26 -4.77 135.00 130.36 1bwy s PRO 38 Ca 0.22 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 1bwy s PRO 38 Cb -0.12 -2.96 0.25 0.00 0.04 0.00 0.00 34.50 31.71 1bwy s PRO 38 CO 0.52 0.04 1.11 0.99 0.04 0.00 0.00 177.00 179.70 1bwy s THR 39 N -1.31 1.75 -0.29 1.26 2.01 -1.24 -0.92 115.64 116.90 1bwy s THR 39 Ca 0.50 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 1bwy s THR 39 Cb -0.30 -2.51 0.17 0.00 0.01 0.00 0.00 72.50 69.87 1bwy s THR 39 CO 0.38 0.00 0.59 -0.89 -0.69 0.00 0.00 174.62 174.01 1bwy s THR 40 N -3.03 -0.97 0.09 -0.82 2.01 0.85 -4.65 115.64 109.12 1bwy s THR 40 Ca 0.69 -0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 1bwy s THR 40 Cb -0.12 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 1bwy s THR 40 CO 0.56 -0.01 0.77 0.27 -0.69 0.00 0.00 174.62 175.53 1bwy s ILE 41 N 2.84 4.59 -0.20 1.82 -4.36 0.06 -0.52 121.20 125.44 1bwy s ILE 41 Ca 0.15 1.67 0.01 0.00 -0.26 0.00 0.00 60.65 62.21 1bwy s ILE 41 Cb -0.14 -4.13 0.04 0.00 1.25 0.00 0.00 42.46 39.48 1bwy s ILE 41 CO -0.20 0.42 -0.11 -0.63 0.24 0.00 0.00 174.94 174.66 1bwy s ILE 42 N -0.46 1.74 -0.12 8.37 -1.09 -0.21 -1.58 121.20 127.85 1bwy s ILE 42 Ca 0.38 -1.06 0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1bwy s ILE 42 Cb -0.22 -1.79 -0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1bwy s ILE 42 CO 0.24 0.19 -0.21 -0.70 -1.23 0.00 0.00 174.94 173.23 1bwy s GLU 43 N 1.36 3.11 -0.83 2.79 2.12 -0.06 -0.54 118.70 126.65 1bwy s GLU 43 Ca -0.01 -0.84 -0.25 0.00 0.36 0.00 0.00 54.97 54.23 1bwy s GLU 43 Cb -0.16 -2.40 0.04 0.00 0.26 0.00 0.00 34.13 31.87 1bwy s GLU 43 CO -0.08 0.14 1.30 0.08 -0.54 0.00 0.00 175.26 176.16 1bwy s VAL 44 N 0.46 3.88 -1.37 3.70 1.01 -1.26 -0.45 120.40 126.36 1bwy s VAL 44 Ca -0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1bwy s VAL 44 Cb -0.17 -4.94 -0.04 0.00 0.00 0.00 0.00 36.38 31.23 1bwy s VAL 44 CO 0.06 -1.84 2.45 -3.20 0.00 0.00 0.00 175.10 172.57 1bwy n ASN 45 N 8.96 5.64 0.00 3.32 5.15 0.12 -4.85 115.26 133.59 1bwy n ASN 45 Ca 0.13 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.45 1bwy n ASN 45 Cb 0.49 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bwy n GLY 46 N 3.92 0.21 0.01 8.20 0.00 -1.26 -1.18 105.19 115.09 1bwy n GLY 46 Ca 0.61 0.68 0.11 0.00 0.00 0.00 0.00 46.02 47.41 1bwy n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwy n ASP 47 N 2.36 0.42 -4.75 1.61 2.03 -1.26 -4.89 116.55 112.08 1bwy n ASP 47 Ca 0.00 -0.38 -0.24 0.00 0.52 0.00 0.00 54.79 54.69 1bwy n ASP 47 Cb 0.00 1.52 -0.06 0.00 -0.72 0.00 0.00 41.12 41.86 1bwy n ASP 47 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1bwy s THR 48 N -3.30 4.13 -0.17 5.18 -4.23 -0.33 -4.05 115.64 112.87 1bwy s THR 48 Ca -0.01 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1bwy s THR 48 Cb 0.15 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1bwy s THR 48 CO 0.89 -0.22 -0.14 0.54 -0.54 0.00 0.00 174.62 175.15 1bwy s VAL 49 N -1.95 1.67 -0.13 2.29 0.11 0.41 0.11 120.40 122.91 1bwy s VAL 49 Ca 0.31 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1bwy s VAL 49 Cb -0.09 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 1bwy s VAL 49 CO 0.22 0.37 0.11 -0.51 -3.33 0.00 0.00 175.10 171.96 1bwy s ILE 50 N 1.42 5.26 -0.10 7.04 2.07 0.40 -0.33 121.20 136.97 1bwy s ILE 50 Ca 0.03 0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.41 1bwy s ILE 50 Cb -0.14 -3.30 -0.01 0.00 0.13 0.00 0.00 42.46 39.14 1bwy s ILE 50 CO -0.10 0.58 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.69 1bwy s ILE 51 N -0.71 2.49 -0.19 2.00 1.09 0.17 -0.88 121.20 125.17 1bwy s ILE 51 Ca 0.13 -0.88 0.01 0.00 -1.10 0.00 0.00 60.65 58.81 1bwy s ILE 51 Cb -0.12 -1.98 0.04 0.00 -1.06 0.00 0.00 42.46 39.34 1bwy s ILE 51 CO 0.03 0.55 -0.11 -0.75 -0.10 0.00 0.00 174.94 174.56 1bwy s LYS 52 N 0.17 2.07 0.09 2.79 2.20 -0.62 -0.99 119.74 125.45 1bwy s LYS 52 Ca -0.11 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.54 1bwy s LYS 52 Cb -0.16 -2.33 -0.09 0.00 -1.51 0.00 0.00 37.83 33.75 1bwy s LYS 52 CO 0.06 -0.38 1.57 1.15 -0.36 0.00 0.00 175.35 177.39 1bwy h THR 53 N 6.31 1.22 -5.52 3.43 2.02 -1.19 0.20 112.91 119.37 1bwy h THR 53 Ca -0.30 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 1bwy h THR 53 Cb 1.11 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1bwy h THR 53 CO 0.49 0.23 -0.56 1.67 0.37 0.00 0.00 175.52 177.71 1bwy n GLN 54 N -4.73 -2.17 -3.79 6.66 7.27 -1.26 -3.39 117.38 115.97 1bwy n GLN 54 Ca -0.04 1.91 -0.13 0.00 0.07 0.00 0.00 57.00 58.82 1bwy n GLN 54 Cb 0.18 -5.06 -0.09 0.00 2.41 0.00 0.00 30.24 27.68 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1bwy s SER 55 N -2.49 -0.13 0.00 1.69 0.15 -1.23 -3.62 113.70 108.07 1bwy s SER 55 Ca 0.23 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1bwy s SER 55 Cb -0.06 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1bwy s SER 55 CO 0.79 -0.40 0.00 0.35 1.20 0.00 0.00 173.24 175.17 1bwy n THR 56 N 1.42 0.00 -2.26 6.45 -2.24 -1.26 -0.69 114.28 115.70 1bwy n THR 56 Ca -0.21 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 1bwy n THR 56 Cb 0.56 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1bwy n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1bwy n PHE 57 N -0.14 3.17 -2.73 4.78 7.35 -1.26 -4.68 117.46 123.96 1bwy n PHE 57 Ca 0.00 -2.78 -0.08 0.00 -0.76 0.00 0.00 57.45 53.82 1bwy n PHE 57 Cb 0.00 -0.27 0.10 0.00 0.35 0.00 0.00 39.48 39.66 1bwy n PHE 57 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1bwy n LYS 58 N -0.57 1.10 -4.63 -4.13 4.81 0.14 -5.07 118.16 109.81 1bwy n LYS 58 Ca 0.42 -1.95 -0.34 0.00 -0.87 0.00 0.00 58.31 55.57 1bwy n LYS 58 Cb 0.73 -0.61 -0.11 0.00 0.02 0.00 0.00 35.03 35.06 1bwy n LYS 58 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bwy s ASN 59 N -1.32 4.62 0.10 3.14 4.22 -1.04 -3.49 114.94 121.17 1bwy s ASN 59 Ca 0.23 -0.03 -0.08 0.00 -2.14 0.00 0.00 52.86 50.83 1bwy s ASN 59 Cb 0.35 -1.17 -0.01 0.00 1.28 0.00 0.00 41.25 41.69 1bwy s ASN 59 CO -0.07 0.36 0.18 0.42 -2.04 0.00 0.00 177.10 175.95 1bwy s THR 60 N -0.77 0.14 -0.03 0.54 -4.23 -1.26 -4.90 115.64 105.13 1bwy s THR 60 Ca 0.12 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1bwy s THR 60 Cb -0.11 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.32 1bwy s THR 60 CO 0.01 -0.62 0.02 -0.70 -0.54 0.00 0.00 174.62 172.79 1bwy s GLU 61 N -3.88 0.11 -0.07 3.99 2.12 -1.26 -0.68 118.70 119.02 1bwy s GLU 61 Ca 0.07 0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 1bwy s GLU 61 Cb 0.05 -0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.07 1bwy s GLU 61 CO -0.09 -0.18 0.16 0.96 -0.54 0.00 0.00 175.26 175.57 1bwy s ILE 62 N 1.24 -0.03 -0.49 -3.70 -4.36 -0.16 -5.01 121.20 108.68 1bwy s ILE 62 Ca -0.07 0.13 -0.10 0.00 -0.26 0.00 0.00 60.65 60.35 1bwy s ILE 62 Cb -0.13 -0.25 0.12 0.00 1.25 0.00 0.00 42.46 43.45 1bwy s ILE 62 CO -0.03 0.05 0.37 -0.94 0.24 0.00 0.00 174.94 174.64 1bwy s SER 63 N 0.90 5.77 -0.46 4.36 1.04 -1.26 -0.66 113.70 123.39 1bwy s SER 63 Ca -0.07 -1.95 -0.26 0.00 0.48 0.00 0.00 55.95 54.16 1bwy s SER 63 Cb -0.09 -2.03 0.03 0.00 0.10 0.00 0.00 66.02 64.03 1bwy s SER 63 CO -0.05 -0.70 0.93 -0.36 0.98 0.00 0.00 173.24 174.04 1bwy s PHE 64 N 1.32 2.92 -0.76 5.02 0.40 0.56 -4.91 117.98 122.52 1bwy s PHE 64 Ca 0.06 0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 56.54 1bwy s PHE 64 Cb -0.26 -3.97 0.02 0.00 0.51 0.00 0.00 43.02 39.31 1bwy s PHE 64 CO -0.01 -1.10 1.49 0.21 0.70 0.00 0.00 175.22 176.52 1bwy s LYS 65 N 3.76 3.07 -0.29 0.44 2.36 -1.26 -0.44 119.74 127.37 1bwy s LYS 65 Ca 0.37 -0.16 -0.33 0.00 -2.55 0.00 0.00 55.97 53.31 1bwy s LYS 65 Cb -0.10 -4.45 -0.09 0.00 -1.05 0.00 0.00 37.83 32.14 1bwy s LYS 65 CO 0.26 -2.38 2.19 1.47 1.55 0.00 0.00 175.35 178.44 1bwy n LEU 66 N 10.44 2.55 0.00 5.43 -0.00 -1.26 -2.28 117.00 131.88 1bwy n LEU 66 Ca 0.14 0.37 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1bwy n LEU 66 Cb 0.50 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.56 1bwy n LEU 66 CO 0.70 -0.69 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 1bwy n GLY 67 N 6.20 1.67 3.24 1.47 0.00 0.12 -4.91 105.19 112.97 1bwy n GLY 67 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 1bwy n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwy s VAL 68 N -2.00 0.12 -0.25 1.61 1.01 -0.97 -4.99 120.40 114.92 1bwy s VAL 68 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 1bwy s VAL 68 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1bwy s VAL 68 CO 0.00 -0.54 0.14 -0.70 0.00 0.00 0.00 175.10 173.99 1bwy s GLU 69 N -3.83 3.89 0.10 2.72 2.12 -1.26 -1.44 118.70 121.00 1bwy s GLU 69 Ca 0.04 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1bwy s GLU 69 Cb 0.04 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1bwy s GLU 69 CO -0.11 -0.10 -0.10 -0.59 -0.54 0.00 0.00 175.26 173.81 1bwy s PHE 70 N 1.46 1.12 0.55 5.30 -0.71 -0.03 -4.95 117.98 120.71 1bwy s PHE 70 Ca 0.06 -0.66 -0.20 0.00 -1.04 0.00 0.00 56.93 55.09 1bwy s PHE 70 Cb -0.15 -0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 41.01 1bwy s PHE 70 CO 0.07 0.02 1.23 0.34 -1.34 0.00 0.00 175.22 175.53 1bwy s ASP 71 N -2.52 5.46 0.05 1.98 -1.08 -1.26 -0.20 116.67 119.10 1bwy s ASP 71 Ca 0.07 2.44 -0.02 0.00 -0.52 0.00 0.00 52.55 54.51 1bwy s ASP 71 Cb -0.02 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 1bwy s ASP 71 CO 0.00 -1.41 0.01 -0.70 0.52 0.00 0.00 175.17 173.60 1bwy s GLU 72 N -3.09 0.60 -0.11 4.34 2.56 0.52 -4.67 118.70 118.85 1bwy s GLU 72 Ca 0.73 -1.04 -0.01 0.00 0.00 0.00 0.00 54.97 54.65 1bwy s GLU 72 Cb -0.32 0.22 0.03 0.00 2.00 0.00 0.00 34.13 36.06 1bwy s GLU 72 CO 0.36 -0.13 -0.06 0.99 -0.56 0.00 0.00 175.26 175.86 1bwy s THR 73 N -3.42 0.96 0.15 -1.70 2.01 -1.26 -0.49 115.64 111.89 1bwy s THR 73 Ca 0.02 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 1bwy s THR 73 Cb 0.04 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1bwy s THR 73 CO -0.08 0.33 0.37 -0.89 -0.69 0.00 0.00 174.62 173.66 1bwy s THR 74 N 1.73 5.18 -1.53 -0.82 2.01 0.34 -4.99 115.64 117.56 1bwy s THR 74 Ca 0.05 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1bwy s THR 74 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1bwy s THR 74 CO -0.08 0.02 0.56 0.00 -0.69 0.00 0.00 174.62 174.43 1bwy n ALA 75 N 0.02 2.17 -0.37 7.40 0.00 -1.26 -0.15 120.51 128.31 1bwy n ALA 75 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1bwy n ALA 75 Cb 0.52 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.20 3.57 -2.10 0.00 5.68 -1.26 -4.95 116.55 117.28 1bwy n ASP 76 Ca 0.00 -2.16 -0.20 0.00 -0.50 0.00 0.00 54.79 51.93 1bwy n ASP 76 Cb 0.09 -0.38 -0.04 0.00 -1.14 0.00 0.00 41.12 39.65 1bwy n ASP 76 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1bwy n ASP 77 N 0.83 -5.53 -4.55 -1.12 2.03 0.78 -4.94 116.55 104.04 1bwy n ASP 77 Ca 0.18 0.19 -0.39 0.00 0.52 0.00 0.00 54.79 55.29 1bwy n ASP 77 Cb 0.59 -4.72 -0.03 0.00 -0.72 0.00 0.00 41.12 36.25 1bwy n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bwy s ARG 78 N -4.54 2.64 0.03 -0.67 0.52 -1.20 -4.88 118.95 110.85 1bwy s ARG 78 Ca 0.00 0.75 -0.35 0.00 -0.52 0.00 0.00 55.73 55.62 1bwy s ARG 78 Cb 0.00 -4.39 -0.14 0.00 0.52 0.00 0.00 34.95 30.95 1bwy s ARG 78 CO 0.00 -2.71 1.68 1.17 0.02 0.00 0.00 175.30 175.46 1bwy n LYS 79 N 9.10 1.98 -1.16 3.54 4.81 -1.26 -0.51 118.16 134.66 1bwy n LYS 79 Ca 0.22 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1bwy n LYS 79 Cb 0.52 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1bwy n LYS 79 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1bwy n VAL 80 N 4.05 0.00 -3.95 3.15 0.24 0.36 -4.94 118.33 117.24 1bwy n VAL 80 Ca 0.20 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.39 1bwy n VAL 80 Cb 0.27 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.51 1bwy n VAL 80 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1bwy s LYS 81 N -0.73 0.18 -0.24 7.34 -2.85 0.26 -0.35 119.74 123.34 1bwy s LYS 81 Ca 0.00 -0.29 -0.05 0.00 -1.00 0.00 0.00 55.97 54.63 1bwy s LYS 81 Cb 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.75 1bwy s LYS 81 CO 0.00 -0.01 0.01 -1.12 0.10 0.00 0.00 175.35 174.33 1bwy s SER 82 N -0.65 4.66 -0.21 0.03 0.01 0.72 -0.35 113.70 117.91 1bwy s SER 82 Ca -0.06 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 1bwy s SER 82 Cb -0.04 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1bwy s SER 82 CO -0.00 -0.07 0.30 -0.51 0.41 0.00 0.00 173.24 173.37 1bwy s ILE 83 N 1.50 5.27 -0.02 1.44 2.07 0.23 -0.85 121.20 130.83 1bwy s ILE 83 Ca 0.05 0.50 0.07 0.00 -1.41 0.00 0.00 60.65 59.86 1bwy s ILE 83 Cb -0.15 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.78 1bwy s ILE 83 CO -0.01 0.29 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.40 1bwy s VAL 84 N 1.17 1.79 0.10 4.00 1.01 -0.52 -0.63 120.40 127.33 1bwy s VAL 84 Ca 0.15 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1bwy s VAL 84 Cb -0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1bwy s VAL 84 CO 0.06 0.51 0.15 -0.89 0.00 0.00 0.00 175.10 174.93 1bwy s THR 85 N -0.50 0.14 -0.20 3.92 2.01 -0.08 0.11 115.64 121.03 1bwy s THR 85 Ca 0.08 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 60.66 1bwy s THR 85 Cb -0.09 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.89 1bwy s THR 85 CO -0.01 -0.61 -0.12 -0.22 -0.69 0.00 0.00 174.62 172.97 1bwy s LEU 86 N -2.92 2.36 -0.16 4.42 0.20 -1.26 -0.17 118.68 121.15 1bwy s LEU 86 Ca 0.10 -0.90 -0.06 0.00 0.69 0.00 0.00 54.13 53.97 1bwy s LEU 86 Cb 0.05 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 1bwy s LEU 86 CO -0.07 -0.13 0.02 1.51 -0.29 0.00 0.00 176.35 177.39 1bwy s ASP 87 N 1.36 5.28 0.00 3.68 1.47 -0.17 -4.92 116.67 123.36 1bwy s ASP 87 Ca -0.01 0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.73 1bwy s ASP 87 Cb -0.16 -1.86 0.00 0.00 -0.34 0.00 0.00 42.92 40.56 1bwy s ASP 87 CO -0.09 0.19 0.00 0.61 0.68 0.00 0.00 175.17 176.56 1bwy n GLY 88 N 3.42 0.25 0.90 2.12 0.00 -1.26 -0.21 105.19 110.41 1bwy n GLY 88 Ca -0.17 0.62 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 0.75 3.23 -0.02 0.00 -1.26 -4.84 105.19 103.05 1bwy n GLY 89 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 3.13 -0.54 1.61 3.01 0.71 -4.32 119.74 123.35 1bwy s LYS 90 Ca 0.09 -0.80 -0.24 0.00 -1.01 0.00 0.00 55.97 54.01 1bwy s LYS 90 Cb 0.10 -2.52 0.04 0.00 -1.01 0.00 0.00 37.83 34.45 1bwy s LYS 90 CO -0.04 0.04 0.94 -1.17 0.51 0.00 0.00 175.35 175.62 1bwy s LEU 91 N 0.73 4.11 -0.46 3.17 0.20 0.45 -1.00 118.68 125.87 1bwy s LEU 91 Ca -0.08 -0.33 -0.22 0.00 0.69 0.00 0.00 54.13 54.19 1bwy s LEU 91 Cb -0.16 -2.84 0.03 0.00 -0.43 0.00 0.00 46.19 42.79 1bwy s LEU 91 CO 0.01 -1.21 0.74 0.68 -0.29 0.00 0.00 176.35 176.28 1bwy s VAL 92 N 3.91 4.69 -0.21 1.68 -7.23 0.76 -0.58 120.40 123.43 1bwy s VAL 92 Ca 0.31 0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.64 1bwy s VAL 92 Cb -0.12 -4.31 -0.03 0.00 0.56 0.00 0.00 36.38 32.48 1bwy s VAL 92 CO 0.19 -0.74 0.02 -2.28 -0.31 0.00 0.00 175.10 171.99 1bwy s HIS 93 N 3.16 3.06 -0.03 2.82 5.04 -1.19 -0.90 115.29 127.25 1bwy s HIS 93 Ca 0.26 -0.45 0.05 0.00 -1.54 0.00 0.00 55.06 53.39 1bwy s HIS 93 Cb -0.13 -2.13 -0.02 0.00 0.04 0.00 0.00 32.58 30.33 1bwy s HIS 93 CO 0.20 -0.27 -0.18 0.08 -2.34 0.00 0.00 174.74 172.23 1bwy s VAL 94 N 1.16 2.76 -0.22 0.89 1.01 0.20 -0.12 120.40 126.08 1bwy s VAL 94 Ca 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1bwy s VAL 94 Cb -0.14 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.24 1bwy s VAL 94 CO 0.02 0.57 -0.03 -1.58 0.00 0.00 0.00 175.10 174.08 1bwy s GLN 95 N -0.75 1.34 -0.10 2.72 0.74 0.48 -0.60 119.66 123.49 1bwy s GLN 95 Ca 0.11 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.72 1bwy s GLN 95 Cb -0.10 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 1bwy s GLN 95 CO 0.00 -0.61 -0.17 0.21 -0.55 0.00 0.00 175.29 174.18 1bwy s LYS 96 N 1.53 3.05 0.05 1.67 2.20 0.53 -0.37 119.74 128.40 1bwy s LYS 96 Ca -0.04 -0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1bwy s LYS 96 Cb -0.18 -2.46 -0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1bwy s LYS 96 CO -0.07 0.31 -0.00 -2.67 -0.36 0.00 0.00 175.35 172.56 1bwy n TRP 97 N 3.22 0.00 0.00 4.03 2.14 -1.15 -0.58 117.44 125.10 1bwy n TRP 97 Ca -0.18 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.39 1bwy n TRP 97 Cb 0.53 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 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 -3.01 0.00 0.18 -0.67 6.94 -1.26 -4.90 115.26 112.54 1bwy n ASN 98 Ca -0.00 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.58 1bwy n ASN 98 Cb 0.00 0.00 0.35 0.00 -2.36 0.00 0.00 39.78 37.77 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 0.02 -0.33 4.83 0.00 -2.04 -3.45 103.07 102.11 1bwy h GLY 99 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1bwy h GLY 99 CO 0.00 0.02 -0.08 -1.06 0.00 0.00 0.00 176.54 175.42 1bwy n GLN 100 N -4.10 0.08 -4.08 4.80 3.00 -1.26 -5.19 117.38 110.64 1bwy n GLN 100 Ca -0.02 -0.59 -0.10 0.00 -0.01 0.00 0.00 57.00 56.28 1bwy n GLN 100 Cb 0.41 0.49 -0.08 0.00 0.00 0.00 0.00 30.24 31.06 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 -2.23 1.26 -0.01 -1.09 2.12 -1.26 -2.95 118.70 114.53 1bwy s GLU 101 Ca 0.07 -1.39 -0.06 0.00 0.36 0.00 0.00 54.97 53.95 1bwy s GLU 101 Cb 0.00 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1bwy s GLU 101 CO 0.05 -0.46 0.13 -0.08 -0.54 0.00 0.00 175.26 174.36 1bwy s THR 102 N -4.06 0.07 -0.01 -1.70 -1.32 0.50 -4.79 115.64 104.33 1bwy s THR 102 Ca 0.27 -0.56 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 1bwy s THR 102 Cb 0.04 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.62 1bwy s THR 102 CO 0.07 -0.31 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.69 1bwy s SER 103 N -1.07 4.81 -0.42 8.08 0.01 -0.00 -0.39 113.70 124.71 1bwy s SER 103 Ca -0.12 -0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.16 1bwy s SER 103 Cb -0.06 -1.18 0.31 0.00 0.21 0.00 0.00 66.02 65.30 1bwy s SER 103 CO 0.01 0.29 0.69 0.18 0.41 0.00 0.00 173.24 174.82 1bwy n LEU 104 N 1.56 1.26 -4.71 2.44 4.32 0.84 -0.51 117.00 122.20 1bwy n LEU 104 Ca -0.15 -5.02 -0.42 0.00 -0.02 0.00 0.00 56.01 50.40 1bwy n LEU 104 Cb 0.53 0.45 -0.03 0.00 -1.62 0.00 0.00 43.42 42.74 1bwy n LEU 104 CO 0.31 2.21 0.91 0.54 -1.22 0.00 0.00 177.39 180.15 1bwy s VAL 105 N -2.28 4.03 -0.28 4.08 0.11 -1.14 -3.15 120.40 121.76 1bwy s VAL 105 Ca 0.39 1.44 -0.05 0.00 -2.93 0.00 0.00 61.98 60.84 1bwy s VAL 105 Cb 0.27 -3.92 0.02 0.00 -1.53 0.00 0.00 36.38 31.21 1bwy s VAL 105 CO -0.09 0.09 0.03 -0.13 -3.33 0.00 0.00 175.10 171.67 1bwy s ARG 106 N 1.33 2.97 0.04 1.54 0.52 0.26 -0.72 118.95 124.89 1bwy s ARG 106 Ca 0.59 -0.92 0.09 0.00 -0.52 0.00 0.00 55.73 54.96 1bwy s ARG 106 Cb -0.29 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 1bwy s ARG 106 CO 0.28 -0.44 -0.24 -2.00 0.02 0.00 0.00 175.30 172.92 1bwy s GLU 107 N 1.43 1.65 -0.13 3.54 2.12 -1.12 -0.41 118.70 125.77 1bwy s GLU 107 Ca 0.01 -1.05 0.01 0.00 0.36 0.00 0.00 54.97 54.31 1bwy s GLU 107 Cb -0.17 -1.80 -0.00 0.00 0.26 0.00 0.00 34.13 32.41 1bwy s GLU 107 CO 0.00 0.46 -0.17 1.41 -0.54 0.00 0.00 175.26 176.43 1bwy s MET 108 N -1.21 3.22 0.36 4.30 -2.45 -1.26 -0.75 119.30 121.51 1bwy s MET 108 Ca 0.10 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.82 1bwy s MET 108 Cb -0.10 -2.54 -0.01 0.00 1.25 0.00 0.00 34.83 33.43 1bwy s MET 108 CO 0.02 0.11 0.14 1.33 1.05 0.00 0.00 175.02 177.67 1bwy n VAL 109 N 3.78 0.00 0.00 10.11 0.24 -1.18 -5.02 118.33 126.26 1bwy n VAL 109 Ca -0.19 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 59.96 1bwy n VAL 109 Cb 0.52 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1bwy n VAL 109 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bwy n ASP 110 N -1.60 0.00 -0.59 -1.34 2.03 -1.26 -2.39 116.55 111.39 1bwy n ASP 110 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1bwy n ASP 110 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 0.62 3.06 0.27 0.00 -1.26 -5.10 105.19 102.77 1bwy n GLY 111 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.52 -0.03 1.61 1.02 -1.01 -3.85 119.74 118.00 1bwy s LYS 112 Ca 0.03 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.07 1bwy s LYS 112 Cb 0.03 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1bwy s LYS 112 CO -0.01 -0.09 -0.22 -0.48 -0.92 0.00 0.00 175.35 173.63 1bwy s LEU 113 N -2.44 2.02 -0.40 3.17 0.05 -0.06 -3.08 118.68 117.93 1bwy s LEU 113 Ca -0.01 -0.41 -0.10 0.00 0.05 0.00 0.00 54.13 53.66 1bwy s LEU 113 Cb 0.02 -1.15 0.06 0.00 -2.05 0.00 0.00 46.19 43.07 1bwy s LEU 113 CO -0.07 0.24 0.24 -0.63 -0.55 0.00 0.00 176.35 175.58 1bwy s ILE 114 N -0.31 4.39 -0.58 1.48 1.09 0.07 -0.58 121.20 126.76 1bwy s ILE 114 Ca 0.03 -1.18 -0.23 0.00 -1.10 0.00 0.00 60.65 58.17 1bwy s ILE 114 Cb -0.10 -3.59 0.05 0.00 -1.06 0.00 0.00 42.46 37.76 1bwy s ILE 114 CO 0.01 -0.40 0.90 -0.22 -0.10 0.00 0.00 174.94 175.13 1bwy s LEU 115 N 1.48 4.33 -0.86 2.97 0.20 0.34 -2.78 118.68 124.37 1bwy s LEU 115 Ca 0.02 -0.66 -0.22 0.00 0.69 0.00 0.00 54.13 53.97 1bwy s LEU 115 Cb -0.22 -2.63 0.09 0.00 -0.43 0.00 0.00 46.19 43.00 1bwy s LEU 115 CO 0.04 -1.25 1.18 -0.89 -0.29 0.00 0.00 176.35 175.13 1bwy s THR 116 N 3.79 4.33 -0.81 3.68 2.01 0.10 -0.36 115.64 128.38 1bwy s THR 116 Ca 0.25 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 61.17 1bwy s THR 116 Cb -0.15 -4.84 0.08 0.00 0.01 0.00 0.00 72.50 67.60 1bwy s THR 116 CO 0.15 -1.63 1.14 -0.22 -0.69 0.00 0.00 174.62 173.37 1bwy s LEU 117 N 3.90 4.22 -0.08 4.42 2.96 0.29 -2.88 118.68 131.51 1bwy s LEU 117 Ca 0.33 -1.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.02 1bwy s LEU 117 Cb -0.07 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 1bwy s LEU 117 CO -0.02 -1.41 -0.23 0.28 -1.32 0.00 0.00 176.35 173.65 1bwy s THR 118 N 4.11 1.95 -0.08 3.68 -1.32 0.33 -0.05 115.64 124.26 1bwy s THR 118 Ca 0.31 -0.97 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1bwy s THR 118 Cb -0.09 -1.68 -0.05 0.00 -1.51 0.00 0.00 72.50 69.17 1bwy s THR 118 CO 0.02 0.54 -0.06 1.57 -2.21 0.00 0.00 174.62 174.48 1bwy n HIS 119 N 3.38 0.00 0.00 9.09 -0.00 -0.41 -0.82 115.22 126.46 1bwy n HIS 119 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1bwy n HIS 119 Cb 0.53 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1bwy n HIS 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bwy n GLY 120 N 3.09 1.02 0.37 1.57 0.00 -1.26 -4.81 105.19 105.17 1bwy n GLY 120 Ca -0.14 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1bwy n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwy h THR 121 N 0.00 1.15 -3.45 2.61 1.03 -2.01 -3.40 112.91 108.83 1bwy h THR 121 Ca 0.00 -0.42 -0.68 0.00 -0.01 0.00 0.00 66.41 65.30 1bwy h THR 121 Cb 0.00 -0.19 -0.16 0.00 -1.07 0.00 0.00 68.15 66.73 1bwy h THR 121 CO 0.00 0.22 -0.65 0.00 -0.01 0.00 0.00 175.52 175.08 1bwy s ALA 122 N -6.05 3.18 -0.19 0.00 0.00 -1.26 -5.11 121.76 112.32 1bwy s ALA 122 Ca -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1bwy s ALA 122 Cb 0.19 -1.35 0.09 0.00 0.00 0.00 0.00 23.12 22.06 1bwy s ALA 122 CO 0.81 0.60 0.25 0.08 0.00 0.00 0.00 175.76 177.50 1bwy s VAL 123 N -0.92 -0.38 -0.35 0.00 1.01 -1.26 -1.29 120.40 117.22 1bwy s VAL 123 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1bwy s VAL 123 Cb -0.11 -0.65 0.10 0.00 0.00 0.00 0.00 36.38 35.72 1bwy s VAL 123 CO 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 175.10 175.08 1bwy n THR 125 N 4.37 0.01 -3.86 0.00 -2.24 -1.26 -0.55 114.28 110.75 1bwy n THR 125 Ca -0.00 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1bwy n THR 125 Cb 0.42 -1.67 -0.16 0.00 -2.10 0.00 0.00 70.33 66.83 1bwy n THR 125 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1bwy s ARG 126 N 1.04 1.21 -0.30 -0.78 3.52 0.51 -2.28 118.95 121.87 1bwy s ARG 126 Ca 0.78 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 55.47 1bwy s ARG 126 Cb -0.63 -2.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1bwy s ARG 126 CO 0.36 -0.67 0.06 0.99 -0.81 0.00 0.00 175.30 175.24 1bwy s THR 127 N 1.55 3.69 0.06 4.11 2.01 0.63 -0.50 115.64 127.18 1bwy s THR 127 Ca -0.02 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1bwy s THR 127 Cb -0.18 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1bwy s THR 127 CO -0.09 0.03 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.49 1bwy s TYR 128 N 1.44 2.83 -0.12 4.92 2.02 0.25 -0.83 117.35 127.86 1bwy s TYR 128 Ca 0.01 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1bwy s TYR 128 Cb -0.18 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1bwy s TYR 128 CO 0.01 0.41 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.24 1bwy s GLU 129 N -1.89 2.32 -0.07 -0.62 2.12 -0.02 -0.88 118.70 119.66 1bwy s GLU 129 Ca 0.20 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1bwy s GLU 129 Cb -0.11 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.26 1bwy s GLU 129 CO 0.12 -0.09 1.19 0.21 -0.54 0.00 0.00 175.26 176.14 1bwy s LYS 130 N 1.07 4.35 -0.11 4.30 2.20 -1.25 -0.61 119.74 129.68 1bwy s LYS 130 Ca -0.04 1.64 0.12 0.00 -0.36 0.00 0.00 55.97 57.33 1bwy s LYS 130 Cb -0.15 -3.58 -0.17 0.00 -1.51 0.00 0.00 37.83 32.43 1bwy s LYS 130 CO -0.04 -0.46 0.09 0.00 -0.36 0.00 0.00 175.35 174.58 1bwy n GLN 131 N 5.33 1.64 -0.28 4.03 10.64 -0.09 -4.94 117.38 133.70 1bwy n GLN 131 Ca 0.11 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1bwy n GLN 131 Cb 0.46 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.50 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23