#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 2.68 0.00 6.55 9.92 -1.26 -1.46 116.55 132.98 1bwy n ASP 2 Ca 0.00 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.91 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 5.76 0.00 0.07 2.24 0.00 -1.26 -4.96 120.51 122.36 1bwy n ALA 3 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 1bwy n ALA 3 Cb 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.50 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 0.63 -0.34 0.00 0.04 -1.63 -3.46 116.94 112.18 1bwy h PHE 4 Ca 0.00 -0.46 -0.56 0.00 2.80 0.00 0.00 57.97 59.75 1bwy h PHE 4 Cb 0.00 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 1bwy h PHE 4 CO 0.00 1.37 1.62 0.28 -0.60 0.00 0.00 178.31 180.98 1bwy n VAL 5 N -4.04 0.01 0.00 -0.55 0.31 -1.25 -4.63 118.33 108.17 1bwy n VAL 5 Ca -0.15 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1bwy n VAL 5 Cb 0.88 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 6.63 0.99 3.60 2.92 0.00 0.18 -4.72 105.19 114.80 1bwy n GLY 6 Ca 0.57 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.23 4.00 -0.38 2.61 2.01 -1.26 -1.36 115.64 119.03 1bwy s THR 7 Ca 0.00 1.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.77 1bwy s THR 7 Cb 0.00 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.23 1bwy s THR 7 CO 0.00 -0.79 0.95 0.26 -0.69 0.00 0.00 174.62 174.35 1bwy s TRP 8 N 5.09 3.05 -0.22 4.92 0.52 0.52 -0.78 118.94 132.04 1bwy s TRP 8 Ca 0.57 0.76 -0.14 0.00 0.02 0.00 0.00 56.10 57.32 1bwy s TRP 8 Cb -0.12 -3.73 -0.04 0.00 -1.15 0.00 0.00 33.47 28.42 1bwy s TRP 8 CO 0.31 -0.88 0.30 0.21 0.02 0.00 0.00 176.95 176.92 1bwy s LYS 9 N 3.58 4.13 0.40 4.98 2.20 0.14 0.12 119.74 135.28 1bwy s LYS 9 Ca 0.39 0.00 -0.27 0.00 -0.36 0.00 0.00 55.97 55.74 1bwy s LYS 9 Cb -0.11 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1bwy s LYS 9 CO 0.20 0.00 1.37 -1.17 -0.36 0.00 0.00 175.35 175.40 1bwy s LEU 10 N 1.21 4.25 0.00 5.43 0.20 -0.18 -0.16 118.68 129.43 1bwy s LEU 10 Ca 0.14 2.81 0.06 0.00 0.69 0.00 0.00 54.13 57.84 1bwy s LEU 10 Cb -0.14 -3.81 0.10 0.00 -0.43 0.00 0.00 46.19 41.91 1bwy s LEU 10 CO 0.06 -0.88 0.91 0.55 -0.29 0.00 0.00 176.35 176.70 1bwy n VAL 11 N 0.24 0.00 -3.45 1.68 3.14 0.11 -4.77 118.33 115.28 1bwy n VAL 11 Ca 0.03 -0.24 -0.12 0.00 -2.96 0.00 0.00 64.34 61.05 1bwy n VAL 11 Cb 0.42 0.49 -0.03 0.00 -1.06 0.00 0.00 33.84 33.66 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 -0.98 -0.55 -0.32 6.55 2.15 -0.93 -4.77 116.67 117.82 1bwy s ASP 12 Ca 0.08 0.13 -0.05 0.00 0.43 0.00 0.00 52.55 53.14 1bwy s ASP 12 Cb 0.09 0.55 0.25 0.00 -0.30 0.00 0.00 42.92 43.51 1bwy s ASP 12 CO -0.04 -0.84 1.22 -0.24 -0.17 0.00 0.00 175.17 175.10 1bwy n SER 13 N -0.12 -1.22 -4.84 -0.34 2.88 -1.26 -3.64 113.62 105.08 1bwy n SER 13 Ca -0.16 -1.34 -0.37 0.00 -1.33 0.00 0.00 58.87 55.67 1bwy n SER 13 Cb 0.63 0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 64.66 1bwy n SER 13 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bwy s LYS 14 N 0.41 3.77 0.00 -1.46 2.47 -1.12 -4.64 119.74 119.16 1bwy s LYS 14 Ca 0.25 0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.82 1bwy s LYS 14 Cb 0.18 -3.23 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 1bwy s LYS 14 CO -0.09 0.68 0.00 0.09 0.16 0.00 0.00 175.35 176.19 1bwy n ASN 15 N 2.07 0.00 0.16 1.43 3.02 -1.26 -4.10 115.26 116.58 1bwy n ASN 15 Ca -0.16 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.48 1bwy n ASN 15 Cb 0.53 -1.83 0.60 0.00 -0.61 0.00 0.00 39.78 38.47 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1bwy h PHE 16 N 0.00 0.12 0.00 3.10 3.57 -1.87 0.02 116.94 121.89 1bwy h PHE 16 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bwy h PHE 16 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1bwy h PHE 16 CO 0.00 0.07 0.00 -3.47 -2.23 0.00 0.00 178.31 172.68 1bwy n ASP 17 N -4.50 0.00 -0.14 0.41 -0.08 -1.26 -3.12 116.55 107.85 1bwy n ASP 17 Ca 0.00 0.75 -0.04 0.00 -1.51 0.00 0.00 54.79 54.00 1bwy n ASP 17 Cb 0.16 -0.44 -0.03 0.00 2.34 0.00 0.00 41.12 43.15 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1bwy n ASP 18 N -1.82 -0.34 -0.23 1.67 2.03 -1.13 -0.37 116.55 116.35 1bwy n ASP 18 Ca 0.00 0.62 -0.11 0.00 0.52 0.00 0.00 54.79 55.82 1bwy n ASP 18 Cb 0.00 -0.10 -0.09 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.60 -0.01 -0.67 5.03 -1.10 -1.68 116.97 116.95 1bwy h TYR 19 Ca 0.05 0.09 -0.17 0.00 2.58 0.00 0.00 58.73 61.29 1bwy h TYR 19 Cb 0.13 0.77 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 1bwy h TYR 19 CO -0.38 -0.39 -0.75 0.00 -1.32 0.00 0.00 178.16 175.32 1bwy h MET 20 N -0.20 0.12 -2.17 1.82 -0.00 -0.95 -0.04 114.93 113.52 1bwy h MET 20 Ca 0.10 -0.11 -0.10 0.00 -0.00 0.00 0.00 59.70 59.59 1bwy h MET 20 Cb 0.46 0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.05 1bwy h MET 20 CO -0.67 0.81 -0.13 1.17 -0.00 0.00 0.00 176.91 178.10 1bwy n LYS 21 N -3.72 1.30 0.00 -0.10 0.00 0.50 -1.28 118.16 114.87 1bwy n LYS 21 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 58.31 57.75 1bwy n LYS 21 Cb 0.72 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 34.09 1bwy n LYS 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1bwy n SER 22 N 2.32 0.00 -0.23 3.14 7.64 -1.19 -4.81 113.62 120.50 1bwy n SER 22 Ca 0.23 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.14 1bwy n SER 22 Cb 0.61 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.24 0.00 -3.43 5.85 -0.60 -3.48 115.31 113.90 1bwy h LEU 23 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1bwy h LEU 23 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1bwy h LEU 23 CO 0.00 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.83 1bwy n GLY 24 N -1.31 -1.15 0.00 3.75 0.00 -0.84 -5.01 105.19 100.63 1bwy n GLY 24 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -4.18 1.61 3.14 -1.25 -4.75 118.33 112.90 1bwy n VAL 25 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1bwy n VAL 25 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 26 N -0.45 -0.36 3.78 7.55 0.00 -0.40 -4.77 105.19 110.54 1bwy n GLY 26 Ca 0.00 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1bwy n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bwy s PHE 27 N -2.98 2.78 -0.80 1.61 -0.12 -1.26 -4.83 117.98 112.38 1bwy s PHE 27 Ca 0.73 1.55 -0.23 0.00 -0.05 0.00 0.00 56.93 58.93 1bwy s PHE 27 Cb -0.42 -3.20 -0.17 0.00 -0.63 0.00 0.00 43.02 38.60 1bwy s PHE 27 CO 0.89 -1.34 1.90 0.00 -0.05 0.00 0.00 175.22 176.62 1bwy n ALA 28 N -1.33 2.58 0.03 1.99 0.00 -1.26 -2.87 120.51 119.65 1bwy n ALA 28 Ca 0.11 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1bwy n ALA 28 Cb 0.52 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.36 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 6.66 0.00 -0.26 0.00 -1.04 -1.26 -4.98 114.28 113.40 1bwy n THR 29 Ca 0.48 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.54 1bwy n THR 29 Cb 0.42 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.12 1bwy n THR 29 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1bwy h ARG 30 N 0.00 0.45 -0.74 -2.82 1.12 -1.84 0.23 114.38 110.79 1bwy h ARG 30 Ca 0.00 -0.03 0.29 0.00 -1.11 0.00 0.00 59.98 59.13 1bwy h ARG 30 Cb 0.00 -0.10 -0.13 0.00 -0.01 0.00 0.00 29.97 29.72 1bwy h ARG 30 CO 0.00 0.30 0.33 0.00 -3.11 0.00 0.00 179.97 177.48 1bwy n GLN 31 N -4.98 -0.05 -0.09 0.20 10.64 -1.26 -0.93 117.38 120.91 1bwy n GLN 31 Ca 0.14 1.04 -0.09 0.00 -1.83 0.00 0.00 57.00 56.26 1bwy n GLN 31 Cb 0.41 -1.82 -0.14 0.00 -0.86 0.00 0.00 30.24 27.83 1bwy n GLN 31 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1bwy n VAL 32 N -4.74 1.19 -0.60 -0.39 0.31 0.45 -4.69 118.33 109.87 1bwy n VAL 32 Ca 0.26 -0.73 -0.17 0.00 -0.01 0.00 0.00 64.34 63.69 1bwy n VAL 32 Cb 0.88 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 1bwy n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 33 N 1.94 2.80 2.02 2.92 0.00 0.52 -1.65 105.19 113.75 1bwy n GLY 33 Ca -0.29 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 4.21 -0.44 -0.12 1.61 0.23 -1.24 -4.80 115.26 114.71 1bwy n ASN 34 Ca 0.36 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.50 1bwy n ASN 34 Cb 0.13 0.86 0.28 0.00 -2.08 0.00 0.00 39.78 38.97 1bwy n ASN 34 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1bwy h MET 35 N 0.00 0.79 -0.34 -3.83 -1.53 -1.76 -1.92 114.93 106.33 1bwy h MET 35 Ca 0.00 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 56.17 1bwy h MET 35 Cb 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 30.89 1bwy h MET 35 CO 0.00 0.60 0.00 -2.37 0.14 0.00 0.00 176.91 175.28 1bwy n THR 36 N -4.37 0.00 -4.03 -0.77 5.66 -0.66 -4.88 114.28 105.23 1bwy n THR 36 Ca 0.05 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.68 1bwy n THR 36 Cb 0.12 -0.23 -0.01 0.00 -1.55 0.00 0.00 70.33 68.66 1bwy n THR 36 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1bwy n LYS 37 N -0.23 -1.09 -1.53 1.09 0.00 -0.72 -4.81 118.16 110.86 1bwy n LYS 37 Ca 0.00 0.21 -0.35 0.00 -0.00 0.00 0.00 58.31 58.17 1bwy n LYS 37 Cb 0.09 -3.41 0.08 0.00 -0.00 0.00 0.00 35.03 31.79 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1bwy s PRO 38 N -6.98 2.28 0.34 -1.58 0.04 -1.26 -4.48 135.00 123.37 1bwy s PRO 38 Ca 0.31 1.80 0.08 0.00 0.04 0.00 0.00 61.00 63.22 1bwy s PRO 38 Cb -0.15 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1bwy s PRO 38 CO 0.94 -1.73 0.21 0.95 0.04 0.00 0.00 177.00 177.41 1bwy s THR 39 N -1.88 3.17 -0.26 1.26 -4.23 -0.14 -1.01 115.64 112.54 1bwy s THR 39 Ca 0.75 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1bwy s THR 39 Cb -0.30 -3.05 0.14 0.00 1.34 0.00 0.00 72.50 70.63 1bwy s THR 39 CO 0.43 -0.17 0.39 -0.89 -0.54 0.00 0.00 174.62 173.85 1bwy s THR 40 N -2.39 -0.61 -0.10 3.99 2.01 0.12 -0.94 115.64 117.71 1bwy s THR 40 Ca 0.39 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 1bwy s THR 40 Cb -0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1bwy s THR 40 CO 0.24 -0.18 1.39 -0.63 -0.69 0.00 0.00 174.62 174.76 1bwy s ILE 41 N 2.54 3.99 -0.20 1.82 -1.09 -0.91 -0.36 121.20 127.00 1bwy s ILE 41 Ca 0.12 1.23 -0.04 0.00 -2.23 0.00 0.00 60.65 59.74 1bwy s ILE 41 Cb -0.14 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 1bwy s ILE 41 CO -0.21 -0.09 -0.04 -0.63 -1.23 0.00 0.00 174.94 172.74 1bwy s ILE 42 N 3.42 3.52 0.05 2.92 -1.09 -0.46 -0.82 121.20 128.74 1bwy s ILE 42 Ca 0.62 -0.46 0.08 0.00 -2.23 0.00 0.00 60.65 58.66 1bwy s ILE 42 Cb -0.27 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1bwy s ILE 42 CO 0.21 0.44 -0.22 -0.70 -1.23 0.00 0.00 174.94 173.44 1bwy s GLU 43 N 1.15 1.42 -0.37 2.79 2.12 -0.87 -0.65 118.70 124.29 1bwy s GLU 43 Ca 0.02 -1.01 -0.10 0.00 0.36 0.00 0.00 54.97 54.24 1bwy s GLU 43 Cb -0.15 -1.58 0.03 0.00 0.26 0.00 0.00 34.13 32.69 1bwy s GLU 43 CO -0.00 0.40 0.19 0.14 -0.54 0.00 0.00 175.26 175.45 1bwy s VAL 44 N -0.85 4.46 -1.12 3.70 -7.23 -1.26 -0.69 120.40 117.41 1bwy s VAL 44 Ca 0.08 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.28 1bwy s VAL 44 Cb -0.09 -3.49 -0.10 0.00 0.56 0.00 0.00 36.38 33.25 1bwy s VAL 44 CO 0.02 -0.22 3.06 0.59 -0.31 0.00 0.00 175.10 178.24 1bwy n ASN 45 N 4.97 7.69 0.00 4.85 4.13 0.17 -4.88 115.26 132.19 1bwy n ASN 45 Ca -0.12 -2.64 0.00 0.00 1.68 0.00 0.00 54.58 53.50 1bwy n ASN 45 Cb 0.46 -1.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.21 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bwy n GLY 46 N 2.96 0.24 0.08 7.41 0.00 -1.26 -1.36 105.19 113.26 1bwy n GLY 46 Ca 0.66 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 47.37 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 0.00 -1.16 1.61 2.03 -1.98 -3.47 116.42 113.44 1bwy h ASP 47 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 1bwy h ASP 47 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1bwy h ASP 47 CO 0.00 0.96 -0.24 0.42 -1.03 0.00 0.00 179.24 179.35 1bwy s THR 48 N -2.66 2.51 -0.05 1.15 -4.23 -0.46 -3.57 115.64 108.35 1bwy s THR 48 Ca -0.03 -1.13 -0.21 0.00 -1.18 0.00 0.00 61.69 59.14 1bwy s THR 48 Cb 0.09 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1bwy s THR 48 CO 0.82 0.00 0.46 0.54 -0.54 0.00 0.00 174.62 175.91 1bwy s VAL 49 N -2.52 0.03 -0.06 2.29 0.11 0.55 0.42 120.40 121.22 1bwy s VAL 49 Ca 0.53 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 1bwy s VAL 49 Cb -0.06 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1bwy s VAL 49 CO 0.32 -0.14 -0.10 -0.51 -3.33 0.00 0.00 175.10 171.34 1bwy s ILE 50 N -1.11 1.02 -0.04 7.04 2.07 0.14 -0.46 121.20 129.85 1bwy s ILE 50 Ca -0.11 -0.40 -0.16 0.00 -1.41 0.00 0.00 60.65 58.57 1bwy s ILE 50 Cb -0.03 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 1bwy s ILE 50 CO 0.06 0.33 0.44 -0.63 -1.91 0.00 0.00 174.94 173.23 1bwy s ILE 51 N 0.78 5.07 -0.13 2.00 1.01 0.02 -2.06 121.20 127.88 1bwy s ILE 51 Ca -0.13 0.89 -0.00 0.00 0.00 0.00 0.00 60.65 61.42 1bwy s ILE 51 Cb -0.15 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1bwy s ILE 51 CO 0.02 0.48 -0.11 -0.54 0.00 0.00 0.00 174.94 174.79 1bwy s LYS 52 N -0.39 1.89 -1.05 2.79 1.02 -0.00 -1.16 119.74 122.83 1bwy s LYS 52 Ca 0.24 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1bwy s LYS 52 Cb -0.16 -1.84 0.20 0.00 -0.52 0.00 0.00 37.83 35.51 1bwy s LYS 52 CO 0.12 -0.26 1.16 0.95 -0.92 0.00 0.00 175.35 176.41 1bwy s THR 53 N 1.60 5.33 -0.78 2.17 -4.23 0.26 -2.14 115.64 117.85 1bwy s THR 53 Ca 0.05 -2.59 -0.21 0.00 -1.18 0.00 0.00 61.69 57.76 1bwy s THR 53 Cb -0.13 -4.72 0.09 0.00 1.34 0.00 0.00 72.50 69.08 1bwy s THR 53 CO -0.09 -1.37 1.06 -1.10 -0.54 0.00 0.00 174.62 172.57 1bwy s GLN 54 N 0.80 3.32 0.16 3.99 -0.21 -0.12 -3.85 119.66 123.76 1bwy s GLN 54 Ca 0.33 -1.19 0.06 0.00 0.02 0.00 0.00 55.36 54.58 1bwy s GLN 54 Cb -0.06 -4.55 -0.04 0.00 1.00 0.00 0.00 33.01 29.35 1bwy s GLN 54 CO -0.06 -1.83 0.07 -1.54 -2.12 0.00 0.00 175.29 169.81 1bwy s SER 55 N 3.75 5.16 -1.30 5.90 1.04 -0.79 -0.97 113.70 126.50 1bwy s SER 55 Ca 0.28 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.36 1bwy s SER 55 Cb -0.11 -1.24 -0.07 0.00 0.10 0.00 0.00 66.02 64.70 1bwy s SER 55 CO 0.02 0.09 2.52 0.35 0.98 0.00 0.00 173.24 177.19 1bwy n THR 56 N -0.17 3.39 0.00 2.02 -2.24 -1.26 -3.05 114.28 112.97 1bwy n THR 56 Ca -0.09 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.55 1bwy n THR 56 Cb 0.55 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 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 4.28 -0.26 -3.77 4.78 -0.00 -1.26 -5.03 117.46 116.21 1bwy n PHE 57 Ca 0.62 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.94 1bwy n PHE 57 Cb 0.22 0.05 -0.12 0.00 -0.00 0.00 0.00 39.48 39.62 1bwy n PHE 57 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1bwy s LYS 58 N -2.00 0.23 -0.07 -4.13 2.20 -1.17 -5.09 119.74 109.71 1bwy s LYS 58 Ca 0.00 0.40 -0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1bwy s LYS 58 Cb 0.00 0.01 0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1bwy s LYS 58 CO 0.00 -0.09 -0.02 -0.80 -0.36 0.00 0.00 175.35 174.07 1bwy s ASN 59 N 0.64 1.45 0.22 1.43 0.01 -1.26 -1.88 114.94 115.55 1bwy s ASN 59 Ca -0.04 -0.13 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1bwy s ASN 59 Cb -0.06 -0.50 -0.05 0.00 0.41 0.00 0.00 41.25 41.06 1bwy s ASN 59 CO -0.04 -0.14 0.05 0.42 -1.51 0.00 0.00 177.10 175.88 1bwy s THR 60 N 1.57 0.64 -0.01 1.60 -4.23 -1.25 -4.97 115.64 109.00 1bwy s THR 60 Ca -0.01 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1bwy s THR 60 Cb -0.13 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1bwy s THR 60 CO -0.04 -0.24 0.20 -1.83 -0.54 0.00 0.00 174.62 172.17 1bwy s GLU 61 N -3.97 0.54 -0.08 3.99 -1.05 -1.26 -0.58 118.70 116.30 1bwy s GLU 61 Ca 0.31 -0.29 -0.08 0.00 -0.15 0.00 0.00 54.97 54.75 1bwy s GLU 61 Cb 0.07 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1bwy s GLU 61 CO 0.09 -0.14 0.23 0.96 0.95 0.00 0.00 175.26 177.35 1bwy s ILE 62 N -1.30 0.01 0.15 1.83 -4.36 -0.31 -5.00 121.20 112.21 1bwy s ILE 62 Ca -0.14 -0.05 0.04 0.00 -0.26 0.00 0.00 60.65 60.25 1bwy s ILE 62 Cb -0.06 -0.34 -0.04 0.00 1.25 0.00 0.00 42.46 43.27 1bwy s ILE 62 CO 0.02 -0.03 0.14 -0.94 0.24 0.00 0.00 174.94 174.38 1bwy s SER 63 N 0.01 5.61 0.16 4.36 1.04 -1.26 -0.80 113.70 122.82 1bwy s SER 63 Ca -0.01 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 1bwy s SER 63 Cb -0.02 -1.50 0.06 0.00 0.10 0.00 0.00 66.02 64.66 1bwy s SER 63 CO 0.00 0.09 0.57 0.72 0.98 0.00 0.00 173.24 175.61 1bwy s PHE 64 N -1.68 -0.46 -0.01 5.02 -0.71 0.39 -4.98 117.98 115.55 1bwy s PHE 64 Ca 0.31 0.22 -0.25 0.00 -1.04 0.00 0.00 56.93 56.16 1bwy s PHE 64 Cb -0.11 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1bwy s PHE 64 CO 0.24 -0.85 0.78 0.15 -1.34 0.00 0.00 175.22 174.20 1bwy s LYS 65 N -3.77 4.49 -0.68 1.99 -0.14 -1.26 -0.33 119.74 120.04 1bwy s LYS 65 Ca 0.02 1.07 -0.07 0.00 -1.36 0.00 0.00 55.97 55.63 1bwy s LYS 65 Cb -0.01 -3.42 -0.15 0.00 -1.68 0.00 0.00 37.83 32.57 1bwy s LYS 65 CO -0.12 0.13 2.92 1.47 -0.76 0.00 0.00 175.35 178.99 1bwy n LEU 66 N 3.40 5.91 0.00 3.17 -0.00 -1.23 -3.86 117.00 124.38 1bwy n LEU 66 Ca -0.00 -3.30 0.00 0.00 -0.00 0.00 0.00 56.01 52.71 1bwy n LEU 66 Cb 0.51 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1bwy n LEU 66 CO 0.48 1.46 0.00 0.61 -0.00 0.00 0.00 177.39 179.95 1bwy n GLY 67 N 3.10 -1.04 3.59 1.47 0.00 -0.85 -4.53 105.19 106.92 1bwy n GLY 67 Ca 0.51 0.26 -0.04 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.23 1.61 0.11 0.32 -4.97 120.40 117.25 1bwy s VAL 68 Ca 0.00 -0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 1bwy s VAL 68 Cb 0.00 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 1bwy s VAL 68 CO 0.00 0.00 0.14 -1.61 -3.33 0.00 0.00 175.10 170.30 1bwy s GLU 69 N -2.62 4.08 0.09 1.54 8.01 -1.26 -1.18 118.70 127.36 1bwy s GLU 69 Ca 0.10 -0.27 -0.21 0.00 0.01 0.00 0.00 54.97 54.60 1bwy s GLU 69 Cb 0.00 -3.49 0.05 0.00 -4.31 0.00 0.00 34.13 26.39 1bwy s GLU 69 CO -0.05 0.12 0.50 -0.59 0.01 0.00 0.00 175.26 175.25 1bwy s PHE 70 N 0.89 -0.38 0.55 1.61 -0.71 0.15 -4.99 117.98 115.09 1bwy s PHE 70 Ca 0.07 0.27 -0.19 0.00 -1.04 0.00 0.00 56.93 56.04 1bwy s PHE 70 Cb -0.13 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 1bwy s PHE 70 CO 0.03 -0.70 1.11 0.34 -1.34 0.00 0.00 175.22 174.66 1bwy s ASP 71 N -2.38 5.74 0.28 1.98 -1.08 -1.26 -0.66 116.67 119.29 1bwy s ASP 71 Ca -0.02 2.11 -0.19 0.00 -0.52 0.00 0.00 52.55 53.93 1bwy s ASP 71 Cb 0.00 -2.57 0.06 0.00 -1.46 0.00 0.00 42.92 38.95 1bwy s ASP 71 CO -0.07 -1.20 0.89 -0.70 0.52 0.00 0.00 175.17 174.60 1bwy s GLU 72 N -3.39 1.76 -0.30 4.34 -6.30 0.55 -4.73 118.70 110.63 1bwy s GLU 72 Ca 0.71 -1.10 0.06 0.00 -2.50 0.00 0.00 54.97 52.14 1bwy s GLU 72 Cb -0.22 0.51 0.20 0.00 0.00 0.00 0.00 34.13 34.62 1bwy s GLU 72 CO 0.28 -0.82 0.61 0.99 0.02 0.00 0.00 175.26 176.34 1bwy s THR 73 N -2.52 -0.98 0.85 -1.70 2.01 -1.26 -2.32 115.64 109.72 1bwy s THR 73 Ca 0.17 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1bwy s THR 73 Cb -0.04 -0.88 0.14 0.00 0.01 0.00 0.00 72.50 71.73 1bwy s THR 73 CO 0.08 0.00 1.19 0.28 -0.69 0.00 0.00 174.62 175.48 1bwy s THR 74 N 2.74 2.07 -0.87 -0.82 -1.32 -0.71 -4.85 115.64 111.88 1bwy s THR 74 Ca 0.11 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1bwy s THR 74 Cb -0.09 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1bwy s THR 74 CO -0.24 0.00 0.23 0.00 -2.21 0.00 0.00 174.62 172.40 1bwy n ALA 75 N -3.39 1.65 -1.55 11.08 0.00 -1.26 -0.41 120.51 126.63 1bwy n ALA 75 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1bwy n ALA 75 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.36 0.02 -4.06 0.00 5.68 -1.26 -4.75 116.55 112.55 1bwy n ASP 76 Ca 0.00 -1.57 -0.33 0.00 -0.50 0.00 0.00 54.79 52.39 1bwy n ASP 76 Cb 0.12 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.01 -4.15 -4.61 -1.12 2.03 0.45 -4.92 116.55 104.22 1bwy n ASP 77 Ca 0.00 -0.88 -0.43 0.00 0.52 0.00 0.00 54.79 54.00 1bwy n ASP 77 Cb 0.61 -3.38 -0.03 0.00 -0.72 0.00 0.00 41.12 37.61 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 -6.76 3.45 -1.09 -0.67 1.81 -1.25 -4.89 118.95 109.54 1bwy s ARG 78 Ca 0.70 1.50 -0.19 0.00 -1.72 0.00 0.00 55.73 56.02 1bwy s ARG 78 Cb -0.37 -4.16 -0.06 0.00 -0.45 0.00 0.00 34.95 29.91 1bwy s ARG 78 CO 0.87 -1.72 2.02 1.17 -0.68 0.00 0.00 175.30 176.97 1bwy n LYS 79 N 8.26 2.12 -2.06 3.54 4.81 -1.26 -1.73 118.16 131.83 1bwy n LYS 79 Ca 0.22 -2.27 -0.33 0.00 -0.87 0.00 0.00 58.31 55.06 1bwy n LYS 79 Cb 0.46 -3.16 0.01 0.00 0.02 0.00 0.00 35.03 32.36 1bwy n LYS 79 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1bwy s VAL 80 N 4.79 3.78 -0.25 3.15 -7.23 -0.98 -4.78 120.40 118.87 1bwy s VAL 80 Ca 0.54 0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 61.38 1bwy s VAL 80 Cb 0.12 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 1bwy s VAL 80 CO 0.04 -0.48 0.56 -0.54 -0.31 0.00 0.00 175.10 174.36 1bwy s LYS 81 N -4.03 4.10 -0.13 4.82 3.01 0.85 -0.33 119.74 128.03 1bwy s LYS 81 Ca 0.64 0.41 -0.27 0.00 -1.01 0.00 0.00 55.97 55.74 1bwy s LYS 81 Cb -0.16 -3.64 -0.01 0.00 -1.01 0.00 0.00 37.83 33.00 1bwy s LYS 81 CO 0.36 -0.35 0.92 -1.12 0.51 0.00 0.00 175.35 175.67 1bwy s SER 82 N 1.48 7.12 -0.27 2.83 0.01 0.17 -1.05 113.70 123.98 1bwy s SER 82 Ca 0.23 1.37 0.03 0.00 1.31 0.00 0.00 55.95 58.89 1bwy s SER 82 Cb -0.16 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.64 1bwy s SER 82 CO 0.09 -0.40 -0.05 -0.51 0.41 0.00 0.00 173.24 172.78 1bwy s ILE 83 N 1.96 1.98 -0.05 1.44 2.07 0.05 -0.68 121.20 127.99 1bwy s ILE 83 Ca 0.44 -1.69 0.05 0.00 -1.41 0.00 0.00 60.65 58.04 1bwy s ILE 83 Cb -0.18 -2.23 -0.01 0.00 0.13 0.00 0.00 42.46 40.18 1bwy s ILE 83 CO 0.16 -0.20 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.10 1bwy s VAL 84 N 1.15 1.61 0.00 4.00 1.01 -0.33 -0.50 120.40 127.34 1bwy s VAL 84 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1bwy s VAL 84 Cb -0.19 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1bwy s VAL 84 CO -0.07 0.46 0.00 0.35 0.00 0.00 0.00 175.10 175.84 1bwy n THR 85 N 3.06 0.00 -4.07 3.92 -2.24 -0.22 -0.52 114.28 114.22 1bwy n THR 85 Ca -0.18 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1bwy n THR 85 Cb 0.53 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 1bwy n THR 85 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1bwy s LEU 86 N 0.00 1.67 0.00 3.22 0.05 -1.26 -0.30 118.68 122.06 1bwy s LEU 86 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.11 1bwy s LEU 86 Cb 0.00 -0.26 0.00 0.00 -2.05 0.00 0.00 46.19 43.88 1bwy s LEU 86 CO 0.00 -0.01 0.66 -0.90 -0.55 0.00 0.00 176.35 175.55 1bwy n ASP 87 N 3.47 1.74 0.00 1.48 5.75 0.24 -4.71 116.55 124.52 1bwy n ASP 87 Ca -0.19 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1bwy n ASP 87 Cb 0.55 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1bwy n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwy n GLY 88 N 0.28 2.32 0.47 6.12 0.00 -1.26 -4.71 105.19 108.42 1bwy n GLY 88 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.16 3.30 -0.02 0.00 -1.26 -5.08 105.19 101.96 1bwy n GLY 89 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.20 1.18 -0.20 1.61 3.01 -1.26 -4.99 119.74 116.89 1bwy s LYS 90 Ca -0.14 -1.37 -0.28 0.00 -1.01 0.00 0.00 55.97 53.17 1bwy s LYS 90 Cb 0.05 -1.11 -0.00 0.00 -1.01 0.00 0.00 37.83 35.76 1bwy s LYS 90 CO 0.20 0.21 0.97 -1.17 0.51 0.00 0.00 175.35 176.07 1bwy s LEU 91 N -2.70 4.14 -0.44 3.17 0.20 -0.27 -0.59 118.68 122.19 1bwy s LEU 91 Ca 0.14 1.32 -0.11 0.00 0.69 0.00 0.00 54.13 56.17 1bwy s LEU 91 Cb -0.04 -3.44 0.08 0.00 -0.43 0.00 0.00 46.19 42.36 1bwy s LEU 91 CO 0.05 -0.56 0.30 -0.69 -0.29 0.00 0.00 176.35 175.16 1bwy s VAL 92 N 2.76 4.50 -0.49 1.68 1.01 0.59 -0.85 120.40 129.61 1bwy s VAL 92 Ca 0.42 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1bwy s VAL 92 Cb -0.16 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.55 1bwy s VAL 92 CO 0.09 -0.55 0.43 -2.28 0.00 0.00 0.00 175.10 172.80 1bwy s HIS 93 N 1.48 3.23 0.07 5.22 2.46 -1.20 -1.05 115.29 125.50 1bwy s HIS 93 Ca 0.03 -0.97 -0.13 0.00 0.47 0.00 0.00 55.06 54.46 1bwy s HIS 93 Cb -0.24 -3.31 -0.06 0.00 -0.13 0.00 0.00 32.58 28.84 1bwy s HIS 93 CO 0.03 -0.86 0.46 0.08 -2.47 0.00 0.00 174.74 171.98 1bwy s VAL 94 N 1.71 4.98 -0.23 0.89 1.01 0.34 -0.35 120.40 128.76 1bwy s VAL 94 Ca 0.05 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1bwy s VAL 94 Cb -0.25 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1bwy s VAL 94 CO 0.06 0.39 0.00 -1.58 0.00 0.00 0.00 175.10 173.97 1bwy s GLN 95 N -1.60 1.11 -0.03 2.72 0.74 0.11 -0.77 119.66 121.93 1bwy s GLN 95 Ca 0.31 -0.77 0.06 0.00 0.05 0.00 0.00 55.36 55.01 1bwy s GLN 95 Cb -0.16 -2.34 -0.02 0.00 1.10 0.00 0.00 33.01 31.60 1bwy s GLN 95 CO 0.17 -0.67 -0.22 0.21 -0.55 0.00 0.00 175.29 174.24 1bwy s LYS 96 N 1.61 2.28 0.00 1.67 2.36 -0.22 -0.37 119.74 127.08 1bwy s LYS 96 Ca -0.02 -0.84 0.00 0.00 -2.55 0.00 0.00 55.97 52.56 1bwy s LYS 96 Cb -0.18 -2.17 0.00 0.00 -1.05 0.00 0.00 37.83 34.43 1bwy s LYS 96 CO -0.09 0.57 0.00 -2.67 1.55 0.00 0.00 175.35 174.71 1bwy n TRP 97 N 2.43 0.00 0.20 4.03 2.14 -1.14 -0.11 117.44 124.99 1bwy n TRP 97 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 1bwy n TRP 97 Cb 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.01 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 -1.26 -2.16 -0.17 -0.67 6.94 -1.26 -4.80 115.26 111.88 1bwy n ASN 98 Ca 0.00 0.71 0.02 0.00 -0.02 0.00 0.00 54.58 55.29 1bwy n ASN 98 Cb 0.00 2.13 0.02 0.00 -2.36 0.00 0.00 39.78 39.57 1bwy n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bwy n GLY 99 N 0.12 -1.04 3.22 4.83 0.00 -1.26 -5.00 105.19 106.06 1bwy n GLY 99 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1bwy n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwy s GLN 100 N -0.35 0.73 0.35 1.61 1.11 -1.26 -5.14 119.66 116.71 1bwy s GLN 100 Ca 0.05 -0.45 0.05 0.00 0.01 0.00 0.00 55.36 55.01 1bwy s GLN 100 Cb 0.03 0.31 -0.07 0.00 -1.01 0.00 0.00 33.01 32.28 1bwy s GLN 100 CO 0.05 -0.22 0.05 -1.21 0.01 0.00 0.00 175.29 173.97 1bwy s GLU 101 N -2.18 1.75 0.01 2.91 8.01 -1.26 -2.87 118.70 125.06 1bwy s GLU 101 Ca -0.08 -1.98 -0.06 0.00 0.01 0.00 0.00 54.97 52.87 1bwy s GLU 101 Cb -0.02 -1.09 -0.00 0.00 -4.31 0.00 0.00 34.13 28.71 1bwy s GLU 101 CO -0.01 -0.15 0.10 0.95 0.01 0.00 0.00 175.26 176.15 1bwy s THR 102 N -3.13 0.09 -0.09 3.63 -4.23 0.51 -4.19 115.64 108.23 1bwy s THR 102 Ca 0.36 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1bwy s THR 102 Cb 0.09 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 1bwy s THR 102 CO 0.16 -0.40 -0.05 -0.94 -0.54 0.00 0.00 174.62 172.85 1bwy s SER 103 N -1.37 4.78 -0.44 3.99 1.04 -0.08 -0.71 113.70 120.89 1bwy s SER 103 Ca -0.15 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.35 1bwy s SER 103 Cb -0.08 -1.34 0.26 0.00 0.10 0.00 0.00 66.02 64.95 1bwy s SER 103 CO 0.01 0.33 0.59 0.18 0.98 0.00 0.00 173.24 175.33 1bwy n LEU 104 N 2.46 1.04 -4.79 2.42 4.32 0.53 -0.82 117.00 122.16 1bwy n LEU 104 Ca -0.18 -4.89 -0.36 0.00 -0.02 0.00 0.00 56.01 50.56 1bwy n LEU 104 Cb 0.53 0.36 -0.05 0.00 -1.62 0.00 0.00 43.42 42.63 1bwy n LEU 104 CO 0.28 2.09 0.70 0.54 -1.22 0.00 0.00 177.39 179.78 1bwy s VAL 105 N -1.61 3.96 -0.01 4.08 0.11 -0.63 -3.23 120.40 123.08 1bwy s VAL 105 Ca 0.37 1.47 0.00 0.00 -2.93 0.00 0.00 61.98 60.89 1bwy s VAL 105 Cb 0.18 -3.75 0.01 0.00 -1.53 0.00 0.00 36.38 31.29 1bwy s VAL 105 CO -0.09 -0.02 -0.00 0.00 -3.33 0.00 0.00 175.10 171.66 1bwy s ARG 106 N -2.52 0.11 -0.11 1.54 3.03 -0.03 -1.36 118.95 119.61 1bwy s ARG 106 Ca 0.57 0.01 -0.30 0.00 2.03 0.00 0.00 55.73 58.04 1bwy s ARG 106 Cb -0.19 -0.18 0.08 0.00 -1.03 0.00 0.00 34.95 33.63 1bwy s ARG 106 CO 0.24 -0.03 0.74 -2.00 -1.13 0.00 0.00 175.30 173.12 1bwy s GLU 107 N 0.30 0.95 -0.56 3.89 2.56 -0.80 -1.11 118.70 123.92 1bwy s GLU 107 Ca -0.03 0.40 -0.20 0.00 0.00 0.00 0.00 54.97 55.15 1bwy s GLU 107 Cb -0.04 0.45 0.08 0.00 2.00 0.00 0.00 34.13 36.61 1bwy s GLU 107 CO -0.01 -0.26 0.73 1.41 -0.56 0.00 0.00 175.26 176.57 1bwy s MET 108 N -0.83 3.10 0.20 4.30 -2.45 -1.26 -0.64 119.30 121.72 1bwy s MET 108 Ca -0.07 -1.01 0.01 0.00 -1.25 0.00 0.00 55.69 53.37 1bwy s MET 108 Cb -0.01 -4.18 0.01 0.00 1.25 0.00 0.00 34.83 31.90 1bwy s MET 108 CO 0.07 -1.45 0.10 1.33 1.05 0.00 0.00 175.02 176.12 1bwy n VAL 109 N 5.67 0.00 0.00 10.11 0.24 -1.20 -4.95 118.33 128.21 1bwy n VAL 109 Ca -0.07 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1bwy n VAL 109 Cb 0.44 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 -1.65 0.00 -0.96 -1.34 2.03 -1.26 -2.12 116.55 111.25 1bwy n ASP 110 Ca -0.03 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.29 1bwy n ASP 110 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.75 3.27 0.27 0.00 -1.26 -5.10 105.19 103.12 1bwy n GLY 111 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.80 -0.25 1.61 1.02 -0.90 -4.81 119.74 117.21 1bwy s LYS 112 Ca 0.14 -0.38 -0.19 0.00 0.02 0.00 0.00 55.97 55.56 1bwy s LYS 112 Cb 0.16 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.80 1bwy s LYS 112 CO -0.07 -0.25 0.58 -1.17 -0.92 0.00 0.00 175.35 173.52 1bwy s LEU 113 N -1.84 4.07 -0.03 3.17 0.20 0.53 -3.24 118.68 121.54 1bwy s LEU 113 Ca -0.07 0.65 -0.21 0.00 0.69 0.00 0.00 54.13 55.19 1bwy s LEU 113 Cb -0.02 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.91 1bwy s LEU 113 CO -0.01 -0.32 0.59 -0.63 -0.29 0.00 0.00 176.35 175.69 1bwy s ILE 114 N 2.32 4.97 -0.14 6.68 1.01 0.18 -0.36 121.20 135.86 1bwy s ILE 114 Ca 0.24 1.23 0.01 0.00 0.00 0.00 0.00 60.65 62.13 1bwy s ILE 114 Cb -0.16 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.41 1bwy s ILE 114 CO 0.09 0.38 -0.16 -0.22 0.00 0.00 0.00 174.94 175.03 1bwy s LEU 115 N 0.07 1.80 -0.33 2.97 2.96 0.01 -1.90 118.68 124.25 1bwy s LEU 115 Ca 0.31 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1bwy s LEU 115 Cb -0.18 -1.23 0.04 0.00 0.50 0.00 0.00 46.19 45.33 1bwy s LEU 115 CO 0.16 -0.02 0.08 -0.89 -1.32 0.00 0.00 176.35 174.36 1bwy s THR 116 N 1.29 3.56 -0.18 3.68 2.01 -0.47 -0.46 115.64 125.07 1bwy s THR 116 Ca 0.01 -1.23 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 1bwy s THR 116 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1bwy s THR 116 CO -0.08 -0.18 0.57 -0.76 -0.69 0.00 0.00 174.62 173.47 1bwy s LEU 117 N 1.36 4.17 -0.03 4.42 2.01 -0.19 -1.60 118.68 128.81 1bwy s LEU 117 Ca -0.02 0.78 -0.02 0.00 0.01 0.00 0.00 54.13 54.88 1bwy s LEU 117 Cb -0.20 -2.79 0.02 0.00 0.01 0.00 0.00 46.19 43.23 1bwy s LEU 117 CO 0.02 -0.19 0.07 -0.89 1.01 0.00 0.00 176.35 176.36 1bwy s THR 118 N 1.59 -0.03 0.05 5.49 2.01 -0.01 -0.52 115.64 124.24 1bwy s THR 118 Ca 0.27 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1bwy s THR 118 Cb -0.16 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1bwy s THR 118 CO 0.10 0.04 -0.05 -2.28 -0.69 0.00 0.00 174.62 171.74 1bwy s HIS 119 N 0.56 0.60 0.16 4.92 5.04 0.61 -0.91 115.29 126.28 1bwy s HIS 119 Ca -0.04 -0.73 -0.02 0.00 -1.54 0.00 0.00 55.06 52.73 1bwy s HIS 119 Cb -0.06 -0.38 0.33 0.00 0.04 0.00 0.00 32.58 32.50 1bwy s HIS 119 CO -0.02 -0.19 0.83 0.41 -2.34 0.00 0.00 174.74 173.43 1bwy n GLY 120 N 0.82 -0.80 2.64 1.59 0.00 -1.26 -0.95 105.19 107.23 1bwy n GLY 120 Ca -0.18 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwy n THR 121 N -4.75 1.54 -3.65 2.61 5.66 -1.26 -5.03 114.28 109.40 1bwy n THR 121 Ca 0.11 -3.26 -0.05 0.00 -3.05 0.00 0.00 64.05 57.79 1bwy n THR 121 Cb 0.34 0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 69.72 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy s ALA 122 N -3.69 -1.91 -0.09 1.79 0.00 -0.12 -5.03 121.76 112.72 1bwy s ALA 122 Ca 0.33 2.36 0.04 0.00 0.00 0.00 0.00 51.96 54.68 1bwy s ALA 122 Cb 0.35 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1bwy s ALA 122 CO -0.02 -0.59 -0.21 0.54 0.00 0.00 0.00 175.76 175.48 1bwy s VAL 123 N 2.12 2.38 -0.14 0.00 0.11 -1.26 -0.28 120.40 123.33 1bwy s VAL 123 Ca -0.08 -0.93 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 1bwy s VAL 123 Cb -0.08 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1bwy s VAL 123 CO -0.19 0.56 0.07 0.00 -3.33 0.00 0.00 175.10 172.21 1bwy s THR 125 N 2.11 2.78 0.09 0.00 -4.23 -1.26 -1.02 115.64 114.11 1bwy s THR 125 Ca 0.02 0.67 -0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1bwy s THR 125 Cb -0.15 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1bwy s THR 125 CO -0.07 0.08 -0.00 -0.13 -0.54 0.00 0.00 174.62 173.95 1bwy s ARG 126 N -2.32 0.79 -0.07 3.99 0.52 0.39 -2.80 118.95 119.46 1bwy s ARG 126 Ca 0.58 -1.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 1bwy s ARG 126 Cb -0.35 0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.28 1bwy s ARG 126 CO 0.45 -0.16 0.33 -0.08 0.02 0.00 0.00 175.30 175.86 1bwy s THR 127 N -3.91 0.03 0.26 0.02 -1.32 -1.24 -0.81 115.64 108.66 1bwy s THR 127 Ca 0.15 -0.26 0.07 0.00 -1.21 0.00 0.00 61.69 60.44 1bwy s THR 127 Cb 0.07 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 1bwy s THR 127 CO -0.04 -0.14 -0.10 -0.31 -2.21 0.00 0.00 174.62 171.82 1bwy s TYR 128 N -0.67 1.90 -0.30 9.09 2.02 0.52 -0.71 117.35 129.20 1bwy s TYR 128 Ca -0.08 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 1bwy s TYR 128 Cb -0.04 -1.00 0.09 0.00 -0.40 0.00 0.00 41.96 40.61 1bwy s TYR 128 CO 0.03 0.34 0.03 -2.00 -1.57 0.00 0.00 175.55 172.38 1bwy s GLU 129 N -3.68 1.34 -0.49 -0.62 2.12 0.78 -0.35 118.70 117.80 1bwy s GLU 129 Ca 0.27 -1.39 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1bwy s GLU 129 Cb 0.02 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.74 1bwy s GLU 129 CO 0.10 -0.84 1.24 0.21 -0.54 0.00 0.00 175.26 175.43 1bwy s LYS 130 N 1.24 3.60 0.07 4.30 2.36 -1.26 -0.69 119.74 129.37 1bwy s LYS 130 Ca 0.05 0.57 -0.32 0.00 -2.55 0.00 0.00 55.97 53.72 1bwy s LYS 130 Cb -0.19 -3.98 -0.18 0.00 -1.05 0.00 0.00 37.83 32.43 1bwy s LYS 130 CO -0.12 -1.55 1.61 1.96 1.55 0.00 0.00 175.35 178.80 1bwy h GLN 131 N 9.81 -0.77 0.00 4.03 7.50 -1.32 -3.49 115.11 130.88 1bwy h GLN 131 Ca -0.25 0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.96 1bwy h GLN 131 Cb 1.07 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.78 1bwy h GLN 131 CO 1.14 -0.51 0.00 0.00 -1.50 0.00 0.00 178.83 177.96