#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 3.44 0.00 6.55 9.92 -1.26 -0.52 116.55 134.69 1bwy n ASP 2 Ca 0.00 -2.14 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 1bwy n ASP 2 Cb 0.00 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 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 3.68 0.00 -0.08 2.24 0.00 -1.26 -4.96 120.51 120.14 1bwy n ALA 3 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 1bwy n ALA 3 Cb 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 0.40 -1.48 0.00 3.72 0.32 -4.49 117.46 115.94 1bwy n PHE 4 Ca 0.00 0.11 -0.45 0.00 -0.05 0.00 0.00 57.45 57.06 1bwy n PHE 4 Cb 0.00 -1.06 -0.08 0.00 -0.94 0.00 0.00 39.48 37.40 1bwy n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1bwy n VAL 5 N -3.09 0.07 0.00 -4.37 0.31 -0.58 -4.57 118.33 106.10 1bwy n VAL 5 Ca -0.34 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1bwy n VAL 5 Cb 1.07 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 6.43 0.41 3.51 2.92 0.00 -0.22 -5.04 105.19 113.20 1bwy n GLY 6 Ca 0.46 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.82 4.90 -0.09 2.61 2.01 -1.26 -0.45 115.64 121.53 1bwy s THR 7 Ca 0.00 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1bwy s THR 7 Cb 0.00 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1bwy s THR 7 CO 0.00 0.19 -0.15 0.26 -0.69 0.00 0.00 174.62 174.23 1bwy s TRP 8 N 1.69 2.73 -0.21 4.92 0.52 0.20 -2.58 118.94 126.21 1bwy s TRP 8 Ca 0.06 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 55.70 1bwy s TRP 8 Cb -0.16 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1bwy s TRP 8 CO 0.08 -0.04 -0.05 0.21 0.02 0.00 0.00 176.95 177.16 1bwy s LYS 9 N -0.15 3.38 0.23 4.98 2.36 0.34 -0.21 119.74 130.67 1bwy s LYS 9 Ca -0.01 -0.63 -0.31 0.00 -2.55 0.00 0.00 55.97 52.47 1bwy s LYS 9 Cb -0.14 -2.97 -0.11 0.00 -1.05 0.00 0.00 37.83 33.56 1bwy s LYS 9 CO 0.03 -0.15 1.65 -1.17 1.55 0.00 0.00 175.35 177.26 1bwy s LEU 10 N 1.35 4.36 0.07 5.43 0.20 -0.49 -1.07 118.68 128.53 1bwy s LEU 10 Ca 0.04 2.86 0.00 0.00 0.69 0.00 0.00 54.13 57.72 1bwy s LEU 10 Cb -0.14 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1bwy s LEU 10 CO -0.03 -0.93 0.00 0.55 -0.29 0.00 0.00 176.35 175.66 1bwy n VAL 11 N 3.33 0.67 -4.11 1.68 3.14 -0.34 -4.66 118.33 118.02 1bwy n VAL 11 Ca 0.13 0.22 -0.23 0.00 -2.96 0.00 0.00 64.34 61.49 1bwy n VAL 11 Cb 0.36 -1.27 -0.05 0.00 -1.06 0.00 0.00 33.84 31.83 1bwy n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bwy s ASP 12 N -5.51 5.46 -0.10 6.55 1.01 -1.17 -4.98 116.67 117.94 1bwy s ASP 12 Ca 0.00 -0.23 -0.33 0.00 0.71 0.00 0.00 52.55 52.70 1bwy s ASP 12 Cb 0.00 -1.38 0.13 0.00 1.01 0.00 0.00 42.92 42.67 1bwy s ASP 12 CO 0.00 0.00 1.24 -0.55 0.21 0.00 0.00 175.17 176.07 1bwy s SER 13 N -3.57 -0.10 0.03 0.27 0.15 -1.26 -0.75 113.70 108.47 1bwy s SER 13 Ca 0.32 -0.08 -0.13 0.00 0.70 0.00 0.00 55.95 56.76 1bwy s SER 13 Cb -0.09 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1bwy s SER 13 CO 0.24 -0.29 0.29 -0.75 1.20 0.00 0.00 173.24 173.93 1bwy s LYS 14 N -2.45 0.76 -1.48 5.44 2.47 -1.07 -4.94 119.74 118.46 1bwy s LYS 14 Ca 0.12 -0.47 -0.10 0.00 -1.56 0.00 0.00 55.97 53.95 1bwy s LYS 14 Cb 0.02 0.33 0.06 0.00 -1.46 0.00 0.00 37.83 36.78 1bwy s LYS 14 CO -0.04 -0.24 0.91 0.09 0.16 0.00 0.00 175.35 176.24 1bwy n ASN 15 N 0.73 -3.94 0.26 1.43 4.13 -1.26 -3.49 115.26 113.12 1bwy n ASN 15 Ca -0.19 -0.79 -0.15 0.00 1.68 0.00 0.00 54.58 55.12 1bwy n ASN 15 Cb 0.59 -3.92 -0.08 0.00 -1.54 0.00 0.00 39.78 34.83 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 -2.05 -0.60 0.10 3.10 3.04 -1.90 -3.20 116.94 115.43 1bwy h PHE 16 Ca -0.59 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.34 1bwy h PHE 16 Cb 1.37 0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.08 1bwy h PHE 16 CO 0.54 -0.31 -0.05 0.22 -2.02 0.00 0.00 178.31 176.70 1bwy h ASP 17 N -0.79 -0.11 -0.29 0.41 3.58 -1.90 -3.33 116.42 113.99 1bwy h ASP 17 Ca -0.07 -0.39 0.03 0.00 0.42 0.00 0.00 57.03 57.02 1bwy h ASP 17 Cb 0.56 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 1bwy h ASP 17 CO 0.11 0.52 -0.17 -0.67 -2.88 0.00 0.00 179.24 176.15 1bwy n ASP 18 N -4.83 -0.31 0.11 2.28 2.03 -1.26 -0.07 116.55 114.51 1bwy n ASP 18 Ca -0.06 0.52 -0.16 0.00 0.52 0.00 0.00 54.79 55.60 1bwy n ASP 18 Cb 0.24 -0.07 -0.10 0.00 -0.72 0.00 0.00 41.12 40.48 1bwy n ASP 18 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bwy h TYR 19 N 0.00 -1.54 0.00 -0.67 3.20 -1.70 -2.43 116.97 113.83 1bwy h TYR 19 Ca 0.05 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1bwy h TYR 19 Cb 0.12 0.66 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 1bwy h TYR 19 CO -0.30 -0.60 -0.17 0.00 -1.64 0.00 0.00 178.16 175.45 1bwy h MET 20 N -0.75 0.00 -2.04 1.82 -0.00 -0.59 -2.80 114.93 110.57 1bwy h MET 20 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.59 1bwy h MET 20 Cb 0.76 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.32 1bwy h MET 20 CO -0.29 0.17 -0.19 1.17 -0.00 0.00 0.00 176.91 177.76 1bwy n LYS 21 N -4.30 1.47 0.00 -0.10 4.81 0.44 -1.01 118.16 119.48 1bwy n LYS 21 Ca -0.02 -0.54 0.00 0.00 -0.87 0.00 0.00 58.31 56.88 1bwy n LYS 21 Cb 0.23 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1bwy n LYS 21 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bwy n SER 22 N 2.11 0.00 -0.07 3.14 7.64 -1.25 -4.92 113.62 120.27 1bwy n SER 22 Ca 0.23 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.30 1bwy n SER 22 Cb 0.69 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.52 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1bwy h LEU 23 N 0.00 0.14 0.00 -3.43 7.12 -1.35 -3.45 115.31 114.33 1bwy h LEU 23 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1bwy h LEU 23 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1bwy h LEU 23 CO 0.00 0.07 0.00 0.61 -0.13 0.00 0.00 178.44 178.99 1bwy n GLY 24 N -1.61 0.94 0.00 3.75 0.00 -0.52 -5.03 105.19 102.73 1bwy n GLY 24 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1bwy n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bwy n VAL 25 N 0.00 0.00 -1.40 1.61 0.31 -0.54 -4.96 118.33 113.35 1bwy n VAL 25 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1bwy n VAL 25 Cb 0.00 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.87 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 26 N 1.28 3.59 2.66 2.92 0.00 -0.18 -4.58 105.19 110.89 1bwy n GLY 26 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1bwy n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bwy n PHE 27 N 6.29 3.20 0.00 1.61 3.72 -1.26 -4.45 117.46 126.57 1bwy n PHE 27 Ca 0.53 -3.62 0.00 0.00 -0.05 0.00 0.00 57.45 54.31 1bwy n PHE 27 Cb 0.36 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bwy n ALA 28 N 1.09 0.00 -0.23 4.37 0.00 -1.26 -4.41 120.51 120.07 1bwy n ALA 28 Ca 0.28 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.83 1bwy n ALA 28 Cb 0.38 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 -0.27 -1.18 0.00 -1.04 -1.26 -0.40 114.28 110.13 1bwy n THR 29 Ca 0.00 1.43 0.04 0.00 -2.04 0.00 0.00 64.05 63.48 1bwy n THR 29 Cb 0.00 -2.11 0.23 0.00 -1.82 0.00 0.00 70.33 66.63 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 -4.84 2.36 -0.03 -2.82 0.63 -1.26 -0.93 116.66 109.77 1bwy n ARG 30 Ca 0.16 -2.95 0.04 0.00 -0.92 0.00 0.00 57.85 54.18 1bwy n ARG 30 Cb 0.53 -1.81 -0.15 0.00 0.45 0.00 0.00 32.46 31.48 1bwy n ARG 30 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1bwy n GLN 31 N -0.84 0.66 -0.06 -0.14 6.02 0.47 -4.40 117.38 119.10 1bwy n GLN 31 Ca 0.26 -0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.93 1bwy n GLN 31 Cb 0.93 -1.55 -0.13 0.00 1.02 0.00 0.00 30.24 30.51 1bwy n GLN 31 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1bwy h VAL 32 N 0.00 0.82 0.00 5.09 3.04 -1.55 -3.40 116.25 120.25 1bwy h VAL 32 Ca -0.17 -2.25 -0.50 0.00 -1.01 0.00 0.00 66.70 62.77 1bwy h VAL 32 Cb 1.41 2.36 0.02 0.00 -2.01 0.00 0.00 31.29 33.07 1bwy h VAL 32 CO 0.01 0.55 3.01 0.61 -1.01 0.00 0.00 177.57 180.74 1bwy n GLY 33 N 1.65 3.49 0.04 3.17 0.00 -0.11 -2.10 105.19 111.33 1bwy n GLY 33 Ca -0.31 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 4.28 0.00 -0.21 1.61 6.94 -1.26 -4.69 115.26 121.94 1bwy n ASN 34 Ca 0.56 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 55.26 1bwy n ASN 34 Cb 0.19 0.01 0.45 0.00 -2.36 0.00 0.00 39.78 38.07 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 0.52 -5.09 -3.83 4.05 -1.64 -2.77 114.93 106.17 1bwy h MET 35 Ca 0.00 -0.03 -0.33 0.00 -0.28 0.00 0.00 59.70 59.06 1bwy h MET 35 Cb 0.00 -0.12 0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1bwy h MET 35 CO 0.00 0.35 1.01 2.41 0.23 0.00 0.00 176.91 180.90 1bwy n THR 36 N -4.51 0.98 -0.01 -0.77 -1.04 -1.25 -4.87 114.28 102.81 1bwy n THR 36 Ca 0.15 -0.97 -0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1bwy n THR 36 Cb 0.49 -2.11 -0.00 0.00 -1.82 0.00 0.00 70.33 66.89 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bwy n LYS 37 N 7.96 0.00 -1.00 -2.82 4.01 -1.05 -4.63 118.16 120.64 1bwy n LYS 37 Ca 0.45 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.95 1bwy n LYS 37 Cb 0.45 -0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.13 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1bwy s PRO 38 N 0.03 0.78 0.06 1.97 0.04 -1.26 -4.75 135.00 131.87 1bwy s PRO 38 Ca 0.01 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.02 1bwy s PRO 38 Cb -0.00 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1bwy s PRO 38 CO 0.00 -2.60 -0.13 0.99 0.04 0.00 0.00 177.00 175.30 1bwy s THR 39 N -2.80 1.02 -0.33 1.26 2.01 -0.33 -1.39 115.64 115.08 1bwy s THR 39 Ca 0.65 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1bwy s THR 39 Cb -0.20 -0.99 0.12 0.00 0.01 0.00 0.00 72.50 71.44 1bwy s THR 39 CO 0.59 -0.22 0.17 -0.89 -0.69 0.00 0.00 174.62 173.57 1bwy s THR 40 N -1.24 0.23 -0.04 -0.82 2.01 0.71 -0.47 115.64 116.02 1bwy s THR 40 Ca -0.03 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.31 1bwy s THR 40 Cb -0.10 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1bwy s THR 40 CO 0.02 -0.85 1.01 -0.63 -0.69 0.00 0.00 174.62 173.49 1bwy s ILE 41 N 1.49 4.76 -0.24 1.82 1.09 -0.84 -0.62 121.20 128.66 1bwy s ILE 41 Ca 0.13 2.00 0.00 0.00 -1.10 0.00 0.00 60.65 61.69 1bwy s ILE 41 Cb -0.20 -4.28 0.06 0.00 -1.06 0.00 0.00 42.46 36.98 1bwy s ILE 41 CO -0.17 0.09 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.09 1bwy s ILE 42 N 1.48 1.44 -0.11 2.92 1.01 0.40 -0.50 121.20 127.84 1bwy s ILE 42 Ca 0.51 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1bwy s ILE 42 Cb -0.21 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1bwy s ILE 42 CO 0.24 -0.14 -0.04 -0.70 0.00 0.00 0.00 174.94 174.30 1bwy s GLU 43 N 1.43 3.18 -1.09 2.79 2.12 0.02 -1.06 118.70 126.10 1bwy s GLU 43 Ca -0.04 -0.50 -0.23 0.00 0.36 0.00 0.00 54.97 54.56 1bwy s GLU 43 Cb -0.19 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1bwy s GLU 43 CO -0.07 0.51 1.83 0.54 -0.54 0.00 0.00 175.26 177.53 1bwy s VAL 44 N -0.36 3.67 -0.30 3.70 0.11 -1.26 -0.75 120.40 125.20 1bwy s VAL 44 Ca 0.06 -0.89 -0.28 0.00 -2.93 0.00 0.00 61.98 57.94 1bwy s VAL 44 Cb -0.12 -4.57 -0.31 0.00 -1.53 0.00 0.00 36.38 29.84 1bwy s VAL 44 CO 0.02 -1.30 1.72 -3.20 -3.33 0.00 0.00 175.10 169.01 1bwy n ASN 45 N 12.40 1.43 0.00 3.54 5.15 -0.26 -4.79 115.26 132.73 1bwy n ASN 45 Ca 0.42 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.86 1bwy n ASN 45 Cb 0.47 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 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 5.02 0.82 0.13 8.20 0.00 -1.26 -0.25 105.19 117.86 1bwy n GLY 46 Ca 0.47 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.90 1bwy n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bwy h ASP 47 N 0.00 0.42 -5.62 1.61 2.03 -2.01 -3.47 116.42 109.38 1bwy h ASP 47 Ca 0.00 -0.37 -0.43 0.00 -0.73 0.00 0.00 57.03 55.49 1bwy h ASP 47 Cb 0.00 -0.13 0.07 0.00 -0.83 0.00 0.00 39.33 38.43 1bwy h ASP 47 CO 0.00 1.21 0.07 0.35 -1.03 0.00 0.00 179.24 179.84 1bwy n THR 48 N -3.65 0.00 -4.15 1.15 -2.24 0.66 -4.93 114.28 101.12 1bwy n THR 48 Ca -0.06 -1.54 -0.15 0.00 -2.27 0.00 0.00 64.05 60.02 1bwy n THR 48 Cb 0.89 -0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.74 0.63 -0.04 2.28 0.11 -0.14 -1.10 120.40 119.40 1bwy s VAL 49 Ca 0.60 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1bwy s VAL 49 Cb -0.04 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1bwy s VAL 49 CO 0.40 -0.17 -0.10 -0.51 -3.33 0.00 0.00 175.10 171.39 1bwy s ILE 50 N -0.94 0.90 -0.12 7.04 2.07 0.07 -0.23 121.20 129.98 1bwy s ILE 50 Ca -0.04 -0.38 -0.01 0.00 -1.41 0.00 0.00 60.65 58.80 1bwy s ILE 50 Cb -0.07 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1bwy s ILE 50 CO 0.00 0.29 -0.07 -0.51 -1.91 0.00 0.00 174.94 172.74 1bwy s ILE 51 N 0.47 3.61 -0.26 2.00 -1.16 -0.11 -0.80 121.20 124.96 1bwy s ILE 51 Ca -0.09 -0.48 -0.02 0.00 -0.51 0.00 0.00 60.65 59.56 1bwy s ILE 51 Cb -0.12 -2.53 0.03 0.00 0.61 0.00 0.00 42.46 40.44 1bwy s ILE 51 CO 0.02 0.54 -0.04 -0.54 -2.81 0.00 0.00 174.94 172.10 1bwy s LYS 52 N -0.03 2.81 -0.22 3.50 1.02 0.34 -0.75 119.74 126.42 1bwy s LYS 52 Ca -0.00 -1.00 -0.27 0.00 0.02 0.00 0.00 55.97 54.71 1bwy s LYS 52 Cb -0.14 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1bwy s LYS 52 CO 0.03 -0.43 0.94 0.95 -0.92 0.00 0.00 175.35 175.92 1bwy s THR 53 N 1.33 4.76 -0.04 2.17 -4.23 0.77 -1.98 115.64 118.42 1bwy s THR 53 Ca -0.00 1.83 0.06 0.00 -1.18 0.00 0.00 61.69 62.39 1bwy s THR 53 Cb -0.17 -4.22 -0.02 0.00 1.34 0.00 0.00 72.50 69.42 1bwy s THR 53 CO -0.03 -0.11 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.64 1bwy s GLN 54 N 2.86 2.34 0.00 3.99 -0.21 0.38 -1.05 119.66 127.97 1bwy s GLN 54 Ca 0.41 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1bwy s GLN 54 Cb -0.16 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.65 1bwy s GLN 54 CO 0.08 0.57 0.00 0.45 -2.12 0.00 0.00 175.29 174.27 1bwy n SER 55 N 2.44 0.00 -4.56 5.90 2.88 -1.20 -1.18 113.62 117.90 1bwy n SER 55 Ca -0.17 -0.59 -0.24 0.00 -1.33 0.00 0.00 58.87 56.54 1bwy n SER 55 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1bwy n SER 55 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1bwy s THR 56 N -2.65 3.12 -1.65 2.46 -1.32 -1.26 -3.20 115.64 111.13 1bwy s THR 56 Ca 0.00 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1bwy s THR 56 Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 1bwy s THR 56 CO 0.00 -0.27 0.00 0.49 -2.21 0.00 0.00 174.62 172.63 1bwy n PHE 57 N 16.57 -0.06 -3.46 9.09 3.72 -1.26 -4.86 117.46 137.21 1bwy n PHE 57 Ca 0.40 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.54 1bwy n PHE 57 Cb 0.48 -3.03 -0.10 0.00 -0.94 0.00 0.00 39.48 35.89 1bwy n PHE 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bwy n LYS 58 N -1.64 0.84 -4.67 -1.08 5.02 -1.20 -5.08 118.16 110.35 1bwy n LYS 58 Ca -0.16 -3.59 -0.33 0.00 -2.02 0.00 0.00 58.31 52.21 1bwy n LYS 58 Cb 0.60 -1.76 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 1bwy n LYS 58 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1bwy s ASN 59 N -0.74 3.71 0.08 4.39 0.01 -1.26 -3.24 114.94 117.90 1bwy s ASN 59 Ca 0.32 -0.43 -0.08 0.00 -0.71 0.00 0.00 52.86 51.95 1bwy s ASN 59 Cb 0.06 -1.56 -0.00 0.00 0.41 0.00 0.00 41.25 40.15 1bwy s ASN 59 CO -0.16 0.12 0.18 0.42 -1.51 0.00 0.00 177.10 176.15 1bwy s THR 60 N 0.63 0.14 0.09 1.60 -4.23 -0.21 -5.01 115.64 108.65 1bwy s THR 60 Ca -0.08 -1.19 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1bwy s THR 60 Cb -0.16 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.38 1bwy s THR 60 CO 0.03 -0.66 0.37 -1.83 -0.54 0.00 0.00 174.62 171.98 1bwy s GLU 61 N -3.81 0.97 -0.05 3.99 -1.05 -1.26 -0.17 118.70 117.33 1bwy s GLU 61 Ca 0.05 -0.63 -0.02 0.00 -0.15 0.00 0.00 54.97 54.21 1bwy s GLU 61 Cb 0.05 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1bwy s GLU 61 CO -0.11 -0.36 0.08 0.42 0.95 0.00 0.00 175.26 176.25 1bwy s ILE 62 N -3.34 -0.14 0.23 1.83 1.01 0.07 -4.86 121.20 116.00 1bwy s ILE 62 Ca 0.00 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.81 1bwy s ILE 62 Cb 0.01 -0.18 -0.08 0.00 0.01 0.00 0.00 42.46 42.22 1bwy s ILE 62 CO -0.09 0.16 0.77 -0.94 0.00 0.00 0.00 174.94 174.84 1bwy s SER 63 N 2.03 7.16 -0.14 3.58 1.04 -1.26 -0.93 113.70 125.16 1bwy s SER 63 Ca 0.02 1.53 -0.23 0.00 0.48 0.00 0.00 55.95 57.75 1bwy s SER 63 Cb -0.12 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1bwy s SER 63 CO -0.04 0.04 0.59 0.72 0.98 0.00 0.00 173.24 175.53 1bwy s PHE 64 N -1.49 -0.60 -0.35 5.02 -0.71 0.67 -4.98 117.98 115.55 1bwy s PHE 64 Ca 0.43 1.28 -0.03 0.00 -1.04 0.00 0.00 56.93 57.58 1bwy s PHE 64 Cb -0.18 0.26 0.07 0.00 -1.21 0.00 0.00 43.02 41.97 1bwy s PHE 64 CO 0.22 -0.42 0.10 0.21 -1.34 0.00 0.00 175.22 173.99 1bwy s LYS 65 N -0.36 2.25 -0.40 1.99 2.47 -1.26 -0.96 119.74 123.47 1bwy s LYS 65 Ca -0.05 -1.50 -0.35 0.00 -1.56 0.00 0.00 55.97 52.50 1bwy s LYS 65 Cb -0.03 -3.38 -0.12 0.00 -1.46 0.00 0.00 37.83 32.83 1bwy s LYS 65 CO 0.04 -0.82 2.22 1.47 0.16 0.00 0.00 175.35 178.42 1bwy n LEU 66 N 4.62 1.93 0.00 5.43 -0.00 -1.26 -2.72 117.00 125.00 1bwy n LEU 66 Ca -0.08 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.32 1bwy n LEU 66 Cb 0.43 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.62 1bwy n LEU 66 CO 0.30 -0.77 0.00 0.61 -0.00 0.00 0.00 177.39 177.52 1bwy n GLY 67 N 6.62 1.01 3.35 1.47 0.00 0.71 -4.89 105.19 113.46 1bwy n GLY 67 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 0.05 0.01 1.61 1.01 -0.25 -4.98 120.40 115.85 1bwy s VAL 68 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1bwy s VAL 68 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1bwy s VAL 68 CO 0.00 -0.22 -0.04 -1.83 0.00 0.00 0.00 175.10 173.01 1bwy s GLU 69 N -3.10 2.61 -0.06 2.72 -1.05 -1.26 -0.92 118.70 117.64 1bwy s GLU 69 Ca -0.02 -0.71 -0.24 0.00 -0.15 0.00 0.00 54.97 53.86 1bwy s GLU 69 Cb 0.00 -2.55 0.05 0.00 -0.44 0.00 0.00 34.13 31.19 1bwy s GLU 69 CO -0.07 0.60 0.53 -0.59 0.95 0.00 0.00 175.26 176.68 1bwy s PHE 70 N -1.06 -0.48 0.33 4.83 -0.71 -0.06 -4.99 117.98 115.84 1bwy s PHE 70 Ca 0.19 0.86 -0.27 0.00 -1.04 0.00 0.00 56.93 56.67 1bwy s PHE 70 Cb -0.11 0.27 -0.09 0.00 -1.21 0.00 0.00 43.02 41.87 1bwy s PHE 70 CO 0.10 -0.49 1.02 0.34 -1.34 0.00 0.00 175.22 174.85 1bwy s ASP 71 N -1.05 7.16 0.04 1.98 2.15 -1.26 -0.39 116.67 125.30 1bwy s ASP 71 Ca -0.11 2.04 -0.04 0.00 0.43 0.00 0.00 52.55 54.87 1bwy s ASP 71 Cb -0.02 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 1bwy s ASP 71 CO 0.07 -0.21 0.07 -0.70 -0.17 0.00 0.00 175.17 174.23 1bwy s GLU 72 N -1.93 0.60 -0.40 4.34 2.56 0.97 -4.86 118.70 119.98 1bwy s GLU 72 Ca 0.50 -0.86 0.03 0.00 0.00 0.00 0.00 54.97 54.64 1bwy s GLU 72 Cb -0.24 0.23 0.16 0.00 2.00 0.00 0.00 34.13 36.28 1bwy s GLU 72 CO 0.31 -0.14 0.33 0.99 -0.56 0.00 0.00 175.26 176.19 1bwy s THR 73 N -2.92 0.21 -0.17 -1.70 2.01 -1.26 -0.46 115.64 111.35 1bwy s THR 73 Ca -0.02 -2.35 -0.11 0.00 0.31 0.00 0.00 61.69 59.52 1bwy s THR 73 Cb 0.01 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1bwy s THR 73 CO -0.06 -1.12 0.20 0.28 -0.69 0.00 0.00 174.62 173.23 1bwy s THR 74 N 0.33 5.37 0.41 -0.82 -1.32 -1.05 -4.92 115.64 113.64 1bwy s THR 74 Ca 0.29 0.35 0.19 0.00 -1.21 0.00 0.00 61.69 61.31 1bwy s THR 74 Cb -0.02 -3.54 0.39 0.00 -1.51 0.00 0.00 72.50 67.83 1bwy s THR 74 CO -0.15 0.43 1.81 0.00 -2.21 0.00 0.00 174.62 174.51 1bwy h ALA 75 N 6.52 2.26 -0.53 11.08 0.00 -1.95 0.29 119.26 136.92 1bwy h ALA 75 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1bwy h ALA 75 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bwy h ALA 75 CO 0.74 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 1bwy n ASP 76 N -4.55 4.45 0.00 0.00 5.75 -1.26 -4.06 116.55 116.87 1bwy n ASP 76 Ca 0.23 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1bwy n ASP 76 Cb 0.81 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1bwy n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1bwy n ASP 77 N 0.80 0.00 -0.01 -1.12 2.03 -0.11 -4.87 116.55 113.27 1bwy n ASP 77 Ca 0.23 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1bwy n ASP 77 Cb 0.88 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bwy n ARG 78 N 0.00 0.00 -2.38 -0.67 1.74 0.83 -4.66 116.66 111.52 1bwy n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1bwy n ARG 78 Cb 0.31 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.72 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 4.35 -0.06 5.56 2.20 -1.26 -2.53 119.74 128.01 1bwy s LYS 79 Ca 0.00 1.78 -0.08 0.00 -0.36 0.00 0.00 55.97 57.31 1bwy s LYS 79 Cb 0.00 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1bwy s LYS 79 CO 0.00 -0.43 0.21 0.14 -0.36 0.00 0.00 175.35 174.91 1bwy s VAL 80 N 1.96 0.02 -0.09 4.02 -7.23 0.40 -4.80 120.40 114.67 1bwy s VAL 80 Ca 0.59 -0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 60.29 1bwy s VAL 80 Cb -0.28 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 1bwy s VAL 80 CO 0.25 -0.11 0.86 -0.75 -0.31 0.00 0.00 175.10 175.04 1bwy s LYS 81 N -0.36 4.42 -0.35 4.82 2.20 0.90 -0.02 119.74 131.34 1bwy s LYS 81 Ca -0.05 1.13 -0.17 0.00 -0.36 0.00 0.00 55.97 56.52 1bwy s LYS 81 Cb -0.03 -3.51 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1bwy s LYS 81 CO 0.01 -0.16 0.47 -1.12 -0.36 0.00 0.00 175.35 174.20 1bwy s SER 82 N 1.02 6.28 -0.22 1.43 0.01 0.48 -0.47 113.70 122.22 1bwy s SER 82 Ca 0.43 -0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.51 1bwy s SER 82 Cb -0.18 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 1bwy s SER 82 CO 0.18 -0.45 0.07 -0.63 0.41 0.00 0.00 173.24 172.83 1bwy s ILE 83 N 2.29 4.53 -0.02 1.44 1.09 -0.21 -0.88 121.20 129.45 1bwy s ILE 83 Ca 0.17 -0.11 0.02 0.00 -1.10 0.00 0.00 60.65 59.63 1bwy s ILE 83 Cb -0.16 -3.09 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1bwy s ILE 83 CO 0.13 0.38 -0.09 0.54 -0.10 0.00 0.00 174.94 175.80 1bwy s VAL 84 N 1.16 0.73 0.13 2.92 0.11 -0.10 -0.50 120.40 124.84 1bwy s VAL 84 Ca 0.05 -0.35 -0.22 0.00 -2.93 0.00 0.00 61.98 58.53 1bwy s VAL 84 Cb -0.14 -0.64 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1bwy s VAL 84 CO 0.03 0.22 0.55 -0.89 -3.33 0.00 0.00 175.10 171.69 1bwy s THR 85 N 0.10 0.02 -0.11 5.04 2.01 -0.42 -0.20 115.64 122.08 1bwy s THR 85 Ca -0.01 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 1bwy s THR 85 Cb -0.07 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1bwy s THR 85 CO 0.00 -0.09 0.02 -1.48 -0.69 0.00 0.00 174.62 172.39 1bwy s LEU 86 N -2.60 3.67 0.05 4.42 0.05 -1.26 -0.05 118.68 122.95 1bwy s LEU 86 Ca 0.00 0.15 0.27 0.00 0.05 0.00 0.00 54.13 54.59 1bwy s LEU 86 Cb -0.00 -1.86 0.83 0.00 -2.05 0.00 0.00 46.19 43.11 1bwy s LEU 86 CO -0.10 0.34 1.67 -0.90 -0.55 0.00 0.00 176.35 176.80 1bwy n ASP 87 N 2.42 0.38 0.00 1.48 5.68 0.12 -4.92 116.55 121.71 1bwy n ASP 87 Ca -0.18 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1bwy n ASP 87 Cb 0.53 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1bwy n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwy n GLY 88 N 1.44 1.71 0.13 6.12 0.00 -1.26 -4.84 105.19 108.50 1bwy n GLY 88 Ca 0.06 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.40 3.23 -0.02 0.00 -1.26 -5.06 105.19 101.68 1bwy n GLY 89 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.52 1.12 -0.35 1.61 1.02 -1.26 -4.99 119.74 114.37 1bwy s LYS 90 Ca -0.33 -1.46 -0.15 0.00 0.02 0.00 0.00 55.97 54.04 1bwy s LYS 90 Cb 0.09 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.68 1bwy s LYS 90 CO 0.62 -0.37 0.37 -1.17 -0.92 0.00 0.00 175.35 173.89 1bwy s LEU 91 N -3.08 4.46 -0.38 3.17 0.20 -0.16 -0.70 118.68 122.18 1bwy s LEU 91 Ca 0.29 -0.25 -0.14 0.00 0.69 0.00 0.00 54.13 54.72 1bwy s LEU 91 Cb 0.06 -2.36 0.01 0.00 -0.43 0.00 0.00 46.19 43.47 1bwy s LEU 91 CO 0.06 -0.36 0.29 -0.69 -0.29 0.00 0.00 176.35 175.37 1bwy s VAL 92 N 2.04 5.25 -0.39 1.68 1.01 0.92 -0.83 120.40 130.09 1bwy s VAL 92 Ca 0.12 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1bwy s VAL 92 Cb -0.17 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1bwy s VAL 92 CO 0.12 -0.20 0.24 -2.28 0.00 0.00 0.00 175.10 172.98 1bwy s HIS 93 N 1.75 3.26 -0.22 5.22 5.04 0.07 -1.30 115.29 129.11 1bwy s HIS 93 Ca 0.06 -1.01 -0.12 0.00 -1.54 0.00 0.00 55.06 52.45 1bwy s HIS 93 Cb -0.18 -2.58 -0.05 0.00 0.04 0.00 0.00 32.58 29.81 1bwy s HIS 93 CO 0.11 -0.69 0.21 0.54 -2.34 0.00 0.00 174.74 172.57 1bwy s VAL 94 N 1.55 5.33 -0.26 0.89 0.11 0.35 -0.37 120.40 128.00 1bwy s VAL 94 Ca 0.02 0.32 -0.05 0.00 -2.93 0.00 0.00 61.98 59.34 1bwy s VAL 94 Cb -0.20 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1bwy s VAL 94 CO 0.06 0.34 0.01 -1.58 -3.33 0.00 0.00 175.10 170.60 1bwy s GLN 95 N 0.98 3.20 -0.10 1.54 2.00 0.14 -1.04 119.66 126.38 1bwy s GLN 95 Ca 0.11 -0.76 -0.01 0.00 -2.00 0.00 0.00 55.36 52.70 1bwy s GLN 95 Cb -0.13 -3.17 0.03 0.00 0.80 0.00 0.00 33.01 30.53 1bwy s GLN 95 CO 0.04 -0.32 -0.05 0.21 -0.50 0.00 0.00 175.29 174.67 1bwy s LYS 96 N 1.47 1.20 -0.21 1.67 2.20 0.38 -0.44 119.74 126.02 1bwy s LYS 96 Ca 0.04 -0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 55.36 1bwy s LYS 96 Cb -0.16 -1.35 -0.08 0.00 -1.51 0.00 0.00 37.83 34.73 1bwy s LYS 96 CO -0.01 -0.27 -0.31 -2.67 -0.36 0.00 0.00 175.35 171.73 1bwy n TRP 97 N 4.98 0.13 0.00 4.03 2.14 -1.19 -0.07 117.44 127.46 1bwy n TRP 97 Ca -0.11 0.06 0.00 0.00 2.07 0.00 0.00 57.50 59.52 1bwy n TRP 97 Cb 0.50 -0.69 0.00 0.00 -0.81 0.00 0.00 31.31 30.31 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 -4.41 0.00 0.16 -0.67 6.94 -1.26 -4.78 115.26 111.24 1bwy n ASN 98 Ca -0.26 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.44 1bwy n ASN 98 Cb 0.61 0.00 0.49 0.00 -2.36 0.00 0.00 39.78 38.52 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 -1.74 4.83 0.00 -2.03 -3.45 103.07 100.67 1bwy h GLY 99 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1bwy h GLY 99 CO 0.00 0.00 0.30 -0.86 0.00 0.00 0.00 176.54 175.98 1bwy s GLN 100 N -3.34 1.83 0.05 4.80 0.00 -1.26 -5.19 119.66 116.55 1bwy s GLN 100 Ca 0.05 -1.08 -0.20 0.00 -0.00 0.00 0.00 55.36 54.13 1bwy s GLN 100 Cb 0.10 0.58 0.04 0.00 0.00 0.00 0.00 33.01 33.72 1bwy s GLN 100 CO 0.49 -0.85 0.46 -1.83 0.00 0.00 0.00 175.29 173.56 1bwy s GLU 101 N -3.24 0.97 0.02 9.60 -1.05 -1.26 -3.15 118.70 120.59 1bwy s GLU 101 Ca 0.13 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.67 1bwy s GLU 101 Cb -0.05 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1bwy s GLU 101 CO 0.08 -0.34 -0.03 0.95 0.95 0.00 0.00 175.26 176.87 1bwy s THR 102 N -2.49 3.90 -0.25 1.83 -4.23 0.42 -4.88 115.64 109.95 1bwy s THR 102 Ca -0.05 -0.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 1bwy s THR 102 Cb -0.01 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1bwy s THR 102 CO -0.02 0.32 0.39 -0.94 -0.54 0.00 0.00 174.62 173.83 1bwy s SER 103 N -1.68 6.31 -0.38 3.99 1.04 -0.38 -0.68 113.70 121.92 1bwy s SER 103 Ca 0.20 0.36 0.03 0.00 0.48 0.00 0.00 55.95 57.02 1bwy s SER 103 Cb -0.11 -2.22 0.11 0.00 0.10 0.00 0.00 66.02 63.89 1bwy s SER 103 CO 0.11 -0.17 0.11 -0.76 0.98 0.00 0.00 173.24 173.51 1bwy s LEU 104 N 1.92 4.79 -0.29 2.42 1.02 0.50 -0.79 118.68 128.24 1bwy s LEU 104 Ca 0.16 -2.27 -0.12 0.00 0.02 0.00 0.00 54.13 51.92 1bwy s LEU 104 Cb -0.15 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 1bwy s LEU 104 CO 0.09 -0.38 0.25 0.68 0.02 0.00 0.00 176.35 177.01 1bwy s VAL 105 N 0.76 5.27 0.04 -1.59 -7.23 -0.27 -0.75 120.40 116.62 1bwy s VAL 105 Ca 0.12 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.50 1bwy s VAL 105 Cb -0.20 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 1bwy s VAL 105 CO -0.06 0.15 -0.09 0.00 -0.31 0.00 0.00 175.10 174.79 1bwy s ARG 106 N 1.84 2.39 0.08 4.82 1.70 -0.01 -1.07 118.95 128.69 1bwy s ARG 106 Ca 0.09 -0.83 -0.26 0.00 -0.47 0.00 0.00 55.73 54.25 1bwy s ARG 106 Cb -0.16 -2.41 0.07 0.00 -0.57 0.00 0.00 34.95 31.88 1bwy s ARG 106 CO 0.11 0.57 0.65 -2.00 -1.08 0.00 0.00 175.30 173.55 1bwy s GLU 107 N -1.64 1.16 -0.16 3.89 2.56 -0.33 -0.99 118.70 123.19 1bwy s GLU 107 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 54.97 54.94 1bwy s GLU 107 Cb -0.11 0.54 0.02 0.00 2.00 0.00 0.00 34.13 36.58 1bwy s GLU 107 CO 0.09 -0.47 -0.19 1.41 -0.56 0.00 0.00 175.26 175.55 1bwy s MET 108 N -2.86 2.78 0.34 4.30 -2.45 -1.26 -0.26 119.30 119.88 1bwy s MET 108 Ca -0.02 -0.75 0.04 0.00 -1.25 0.00 0.00 55.69 53.70 1bwy s MET 108 Cb -0.01 -2.37 -0.01 0.00 1.25 0.00 0.00 34.83 33.69 1bwy s MET 108 CO -0.05 -0.15 0.13 1.33 1.05 0.00 0.00 175.02 177.33 1bwy n VAL 109 N 4.46 0.00 0.00 10.11 0.24 -1.21 -4.84 118.33 127.10 1bwy n VAL 109 Ca -0.20 -2.00 0.00 0.00 -2.04 0.00 0.00 64.34 60.11 1bwy n VAL 109 Cb 0.51 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.63 0.00 -1.27 -1.34 2.03 -1.26 -2.49 116.55 110.58 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 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.80 2.93 0.27 0.00 -1.26 -5.09 105.19 102.84 1bwy n GLY 111 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.17 -0.43 1.61 1.02 -1.04 -4.41 119.74 116.66 1bwy s LYS 112 Ca 0.20 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.66 1bwy s LYS 112 Cb 0.23 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1bwy s LYS 112 CO -0.10 -0.03 0.69 -1.17 -0.92 0.00 0.00 175.35 173.82 1bwy s LEU 113 N -0.76 4.38 0.00 3.17 0.20 0.15 -3.30 118.68 122.53 1bwy s LEU 113 Ca -0.08 -0.18 -0.15 0.00 0.69 0.00 0.00 54.13 54.41 1bwy s LEU 113 Cb -0.05 -2.82 -0.06 0.00 -0.43 0.00 0.00 46.19 42.83 1bwy s LEU 113 CO -0.00 -0.80 0.42 0.27 -0.29 0.00 0.00 176.35 175.95 1bwy s ILE 114 N 2.96 5.01 -0.23 6.68 -5.25 0.64 -0.65 121.20 130.37 1bwy s ILE 114 Ca 0.25 0.86 -0.04 0.00 -0.99 0.00 0.00 60.65 60.74 1bwy s ILE 114 Cb -0.13 -3.72 0.09 0.00 2.95 0.00 0.00 42.46 41.64 1bwy s ILE 114 CO 0.19 0.58 0.17 -0.22 -1.79 0.00 0.00 174.94 173.87 1bwy s LEU 115 N -1.06 0.19 -0.26 0.37 2.96 0.13 -1.18 118.68 119.82 1bwy s LEU 115 Ca 0.24 -0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1bwy s LEU 115 Cb -0.17 0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.49 1bwy s LEU 115 CO 0.14 -0.37 0.25 -0.89 -1.32 0.00 0.00 176.35 174.15 1bwy s THR 116 N 2.21 5.28 -0.17 3.68 2.01 -0.23 -0.21 115.64 128.21 1bwy s THR 116 Ca 0.06 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 1bwy s THR 116 Cb -0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1bwy s THR 116 CO -0.20 0.25 0.12 -0.76 -0.69 0.00 0.00 174.62 173.33 1bwy s LEU 117 N 1.64 4.19 0.07 4.42 2.01 0.23 -1.12 118.68 130.12 1bwy s LEU 117 Ca 0.10 0.28 -0.20 0.00 0.01 0.00 0.00 54.13 54.32 1bwy s LEU 117 Cb -0.15 -2.06 0.04 0.00 0.01 0.00 0.00 46.19 44.04 1bwy s LEU 117 CO 0.09 0.26 0.47 0.28 1.01 0.00 0.00 176.35 178.46 1bwy s THR 118 N -0.12 0.04 0.26 5.49 -1.32 0.03 -0.40 115.64 119.62 1bwy s THR 118 Ca 0.10 -0.36 -0.21 0.00 -1.21 0.00 0.00 61.69 60.00 1bwy s THR 118 Cb -0.11 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1bwy s THR 118 CO 0.00 -0.20 0.70 -2.28 -2.21 0.00 0.00 174.62 170.64 1bwy s HIS 119 N -2.83 -0.25 0.43 9.09 5.04 -0.38 -1.25 115.29 125.14 1bwy s HIS 119 Ca -0.03 -0.16 0.25 0.00 -1.54 0.00 0.00 55.06 53.57 1bwy s HIS 119 Cb -0.00 0.68 1.27 0.00 0.04 0.00 0.00 32.58 34.57 1bwy s HIS 119 CO -0.05 -1.17 1.73 0.78 -2.34 0.00 0.00 174.74 173.69 1bwy h GLY 120 N 2.00 1.08 -0.38 1.59 0.00 -2.02 0.71 103.07 106.04 1bwy h GLY 120 Ca -0.22 -0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.11 1bwy h GLY 120 CO 0.26 -0.20 -0.15 -0.84 0.00 0.00 0.00 176.54 175.61 1bwy h THR 121 N 0.24 0.31 0.00 4.70 2.02 -1.97 -3.47 112.91 114.74 1bwy h THR 121 Ca 0.67 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.84 1bwy h THR 121 Cb 1.97 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1bwy h THR 121 CO -0.30 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.60 1bwy n ALA 122 N -3.13 0.00 -2.59 6.16 0.00 0.24 -5.01 120.51 116.19 1bwy n ALA 122 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1bwy n ALA 122 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 1bwy n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bwy s VAL 123 N -2.00 1.27 -0.28 0.00 0.11 -1.26 -1.25 120.40 116.98 1bwy s VAL 123 Ca 0.00 -1.02 -0.06 0.00 -2.93 0.00 0.00 61.98 57.97 1bwy s VAL 123 Cb 0.00 -1.13 0.14 0.00 -1.53 0.00 0.00 36.38 33.87 1bwy s VAL 123 CO 0.00 0.09 0.59 0.00 -3.33 0.00 0.00 175.10 172.45 1bwy s THR 125 N 2.83 3.59 0.03 0.00 -4.23 -1.23 -0.60 115.64 116.04 1bwy s THR 125 Ca 0.04 0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1bwy s THR 125 Cb -0.13 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 1bwy s THR 125 CO -0.19 -0.27 -0.01 -0.13 -0.54 0.00 0.00 174.62 173.48 1bwy s ARG 126 N -3.44 0.46 -0.04 3.99 0.52 0.71 -2.61 118.95 118.54 1bwy s ARG 126 Ca 0.68 -0.86 -0.18 0.00 -0.52 0.00 0.00 55.73 54.85 1bwy s ARG 126 Cb -0.19 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.48 1bwy s ARG 126 CO 0.26 -0.09 0.40 -0.08 0.02 0.00 0.00 175.30 175.81 1bwy s THR 127 N -2.55 0.04 -0.02 0.02 -1.32 0.07 -0.69 115.64 111.19 1bwy s THR 127 Ca -0.06 -0.32 0.04 0.00 -1.21 0.00 0.00 61.69 60.14 1bwy s THR 127 Cb -0.02 -0.68 -0.01 0.00 -1.51 0.00 0.00 72.50 70.28 1bwy s THR 127 CO -0.05 -0.18 -0.13 -0.31 -2.21 0.00 0.00 174.62 171.74 1bwy s TYR 128 N -1.09 1.20 -0.08 9.09 1.51 0.18 -1.20 117.35 126.97 1bwy s TYR 128 Ca -0.11 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1bwy s TYR 128 Cb -0.04 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1bwy s TYR 128 CO 0.05 -0.04 -0.08 -2.00 -1.11 0.00 0.00 175.55 172.37 1bwy s GLU 129 N -0.21 2.82 -1.11 -0.62 2.12 -0.23 -0.67 118.70 120.79 1bwy s GLU 129 Ca 0.03 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.57 1bwy s GLU 129 Cb -0.06 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 1bwy s GLU 129 CO -0.00 0.61 1.84 0.21 -0.54 0.00 0.00 175.26 177.38 1bwy s LYS 130 N -0.66 2.93 0.36 4.30 2.20 -1.26 -0.50 119.74 127.11 1bwy s LYS 130 Ca 0.10 -1.09 0.04 0.00 -0.36 0.00 0.00 55.97 54.66 1bwy s LYS 130 Cb -0.11 -5.27 0.70 0.00 -1.51 0.00 0.00 37.83 31.64 1bwy s LYS 130 CO 0.02 -3.27 2.00 -0.56 -0.36 0.00 0.00 175.35 173.18 1bwy h GLN 131 N 9.74 0.76 0.00 4.03 3.07 -1.85 -3.49 115.11 127.37 1bwy h GLN 131 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.92 1bwy h GLN 131 Cb 0.95 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.34 1bwy h GLN 131 CO 1.29 0.50 0.00 0.00 0.09 0.00 0.00 178.83 180.72