#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 4.12 0.05 6.55 9.92 -1.26 -2.31 116.55 133.62 1bwy n ASP 2 Ca 0.00 -2.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.95 1bwy n ASP 2 Cb 0.00 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 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 4.58 0.00 0.24 2.24 0.00 -1.26 -4.98 120.51 121.34 1bwy n ALA 3 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.68 1bwy n ALA 3 Cb 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 0.00 0.04 -1.80 -3.45 116.94 111.11 1bwy h PHE 4 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1bwy h PHE 4 Cb 0.00 0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1bwy h PHE 4 CO 0.00 -0.37 0.00 0.28 -0.60 0.00 0.00 178.31 177.62 1bwy n VAL 5 N -5.37 0.00 0.00 -0.55 0.31 -1.24 -4.34 118.33 107.14 1bwy n VAL 5 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1bwy n VAL 5 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 0.00 0.36 2.91 2.92 0.00 0.21 -4.96 105.19 106.63 1bwy n GLY 6 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.99 -0.15 2.61 2.01 -1.26 -0.24 115.64 119.59 1bwy s THR 7 Ca 0.00 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1bwy s THR 7 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1bwy s THR 7 CO 0.00 0.36 0.02 0.26 -0.69 0.00 0.00 174.62 174.56 1bwy s TRP 8 N 1.57 3.16 -0.21 4.92 0.51 0.19 -0.50 118.94 128.58 1bwy s TRP 8 Ca 0.02 -0.03 -0.07 0.00 -2.12 0.00 0.00 56.10 53.90 1bwy s TRP 8 Cb -0.13 -1.98 -0.03 0.00 -0.81 0.00 0.00 33.47 30.52 1bwy s TRP 8 CO -0.06 0.16 0.05 0.21 -0.51 0.00 0.00 176.95 176.80 1bwy s LYS 9 N 0.09 3.79 0.39 4.98 2.20 0.50 -0.53 119.74 131.16 1bwy s LYS 9 Ca 0.03 -0.43 -0.25 0.00 -0.36 0.00 0.00 55.97 54.96 1bwy s LYS 9 Cb -0.13 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1bwy s LYS 9 CO 0.02 0.06 1.09 -1.17 -0.36 0.00 0.00 175.35 174.98 1bwy s LEU 10 N 0.94 4.19 -0.46 5.43 0.20 -1.09 -0.51 118.68 127.38 1bwy s LEU 10 Ca 0.03 2.15 0.07 0.00 0.69 0.00 0.00 54.13 57.07 1bwy s LEU 10 Cb -0.14 -4.09 0.24 0.00 -0.43 0.00 0.00 46.19 41.78 1bwy s LEU 10 CO 0.03 -0.52 0.78 0.55 -0.29 0.00 0.00 176.35 176.90 1bwy n VAL 11 N 0.08 -0.20 -3.85 1.68 3.14 -0.10 -4.87 118.33 114.21 1bwy n VAL 11 Ca 0.04 -2.24 -0.06 0.00 -2.96 0.00 0.00 64.34 59.13 1bwy n VAL 11 Cb 0.48 0.49 0.02 0.00 -1.06 0.00 0.00 33.84 33.78 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 -1.55 0.00 -0.44 6.55 -1.08 -1.24 -4.54 116.67 114.37 1bwy s ASP 12 Ca 0.33 -0.89 0.06 0.00 -0.52 0.00 0.00 52.55 51.52 1bwy s ASP 12 Cb 0.21 0.67 0.32 0.00 -1.46 0.00 0.00 42.92 42.66 1bwy s ASP 12 CO -0.21 -1.32 1.15 -0.24 0.52 0.00 0.00 175.17 175.08 1bwy n SER 13 N -1.30 -2.21 -4.08 -0.34 2.88 -1.26 -4.90 113.62 102.40 1bwy n SER 13 Ca -0.05 -3.48 -0.32 0.00 -1.33 0.00 0.00 58.87 53.68 1bwy n SER 13 Cb 0.60 1.84 -0.16 0.00 -0.75 0.00 0.00 64.21 65.74 1bwy n SER 13 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1bwy s LYS 14 N 0.24 2.50 -1.15 -1.46 1.02 -1.26 -4.85 119.74 114.79 1bwy s LYS 14 Ca 0.22 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1bwy s LYS 14 Cb 0.29 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1bwy s LYS 14 CO -0.07 -0.41 0.00 0.09 -0.92 0.00 0.00 175.35 174.04 1bwy n ASN 15 N 4.54 -3.92 0.06 2.83 3.02 -1.26 -3.77 115.26 116.76 1bwy n ASN 15 Ca -0.17 0.21 -0.21 0.00 -0.03 0.00 0.00 54.58 54.37 1bwy n ASN 15 Cb 0.46 -3.38 -0.15 0.00 -0.61 0.00 0.00 39.78 36.10 1bwy n ASN 15 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1bwy h PHE 16 N 0.00 0.61 0.23 3.10 -0.00 -1.92 -1.75 116.94 117.21 1bwy h PHE 16 Ca -0.30 -0.44 -0.01 0.00 -0.00 0.00 0.00 57.97 57.22 1bwy h PHE 16 Cb 1.16 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 37.09 1bwy h PHE 16 CO 0.63 1.42 -0.11 0.38 -0.00 0.00 0.00 178.31 180.63 1bwy h ASP 17 N -0.25 -0.27 -0.55 -0.68 2.03 -1.94 -3.05 116.42 111.71 1bwy h ASP 17 Ca -0.21 -0.26 0.05 0.00 -0.73 0.00 0.00 57.03 55.89 1bwy h ASP 17 Cb 1.78 0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 40.28 1bwy h ASP 17 CO 0.15 0.22 -0.33 -0.67 -1.03 0.00 0.00 179.24 177.59 1bwy n ASP 18 N -5.01 -0.59 -0.19 4.15 2.03 -1.25 0.60 116.55 116.29 1bwy n ASP 18 Ca -0.08 1.24 -0.02 0.00 0.52 0.00 0.00 54.79 56.45 1bwy n ASP 18 Cb 0.26 -0.26 0.05 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.29 -0.28 -0.67 5.03 -1.44 -0.39 116.97 118.93 1bwy h TYR 19 Ca 0.09 0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.34 1bwy h TYR 19 Cb 0.23 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1bwy h TYR 19 CO -0.81 -0.24 -0.29 0.52 -1.32 0.00 0.00 178.16 176.02 1bwy h MET 20 N 0.00 0.57 -1.85 1.82 2.86 -0.76 -0.78 114.93 116.79 1bwy h MET 20 Ca 0.28 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 1bwy h MET 20 Cb 0.42 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1bwy h MET 20 CO -0.59 0.80 0.12 1.17 1.06 0.00 0.00 176.91 179.47 1bwy n LYS 21 N -4.09 1.35 0.00 1.72 4.81 0.20 -0.33 118.16 121.82 1bwy n LYS 21 Ca -0.01 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 56.82 1bwy n LYS 21 Cb 0.44 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.21 1bwy n LYS 21 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1bwy n SER 22 N 1.17 0.00 -0.21 3.14 3.41 -1.21 -4.86 113.62 115.06 1bwy n SER 22 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.75 1bwy n SER 22 Cb 0.55 0.06 0.12 0.00 -0.26 0.00 0.00 64.21 64.68 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bwy h LEU 23 N 0.00 0.19 0.00 1.04 5.85 -0.94 -3.47 115.31 117.98 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 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 1bwy n GLY 24 N -1.30 0.98 0.00 3.75 0.00 0.15 -5.05 105.19 103.72 1bwy n GLY 24 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.07 1.61 3.14 0.55 -4.90 118.33 117.66 1bwy n VAL 25 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1bwy n VAL 25 Cb 0.00 0.17 -0.14 0.00 -1.06 0.00 0.00 33.84 32.81 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 0.00 3.25 0.46 7.55 0.00 -0.35 -4.78 105.19 111.33 1bwy n GLY 26 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1bwy n GLY 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bwy h PHE 27 N 3.32 -1.50 0.04 1.61 0.04 -1.92 -2.94 116.94 115.58 1bwy h PHE 27 Ca 0.31 0.04 -0.25 0.00 2.80 0.00 0.00 57.97 60.87 1bwy h PHE 27 Cb 1.29 0.65 -0.02 0.00 2.20 0.00 0.00 35.95 40.07 1bwy h PHE 27 CO 1.79 -0.56 -1.27 0.00 -0.60 0.00 0.00 178.31 177.66 1bwy h ALA 28 N -0.53 0.38 -3.62 2.45 0.00 -1.97 -3.51 119.26 112.47 1bwy h ALA 28 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1bwy h ALA 28 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1bwy h ALA 28 CO -0.31 1.26 -0.77 2.41 0.00 0.00 0.00 179.25 181.83 1bwy n THR 29 N -3.34 -9.95 -3.34 0.00 -1.04 -1.11 -4.63 114.28 90.88 1bwy n THR 29 Ca -0.08 2.65 -0.24 0.00 -2.04 0.00 0.00 64.05 64.35 1bwy n THR 29 Cb 0.99 -4.46 0.01 0.00 -1.82 0.00 0.00 70.33 65.06 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 1.27 -4.10 0.04 -2.82 0.63 -1.26 -4.61 116.66 105.80 1bwy n ARG 30 Ca 0.00 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1bwy n ARG 30 Cb 0.00 -5.39 0.00 0.00 0.45 0.00 0.00 32.46 27.52 1bwy n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bwy n GLN 31 N -3.94 0.00 -0.25 -0.14 10.64 -1.26 -4.78 117.38 117.65 1bwy n GLN 31 Ca -0.03 0.00 0.22 0.00 -1.83 0.00 0.00 57.00 55.36 1bwy n GLN 31 Cb 0.56 0.00 0.41 0.00 -0.86 0.00 0.00 30.24 30.35 1bwy n GLN 31 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1bwy n VAL 32 N -2.67 -0.32 -2.64 -0.39 3.14 -1.26 -0.52 118.33 113.67 1bwy n VAL 32 Ca 0.00 1.57 -0.10 0.00 -2.96 0.00 0.00 64.34 62.85 1bwy n VAL 32 Cb 0.00 -2.51 0.03 0.00 -1.06 0.00 0.00 33.84 30.31 1bwy n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 33 N -1.23 2.55 0.00 7.55 0.00 -1.26 -4.73 105.19 108.08 1bwy n GLY 33 Ca 0.27 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.32 0.00 0.00 1.61 0.23 -0.33 -4.81 115.26 111.64 1bwy n ASN 34 Ca 0.15 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.13 1bwy n ASN 34 Cb 0.80 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.12 0.00 -3.83 4.05 -1.11 -3.35 114.93 110.57 1bwy h MET 35 Ca 0.00 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1bwy h MET 35 Cb 0.00 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1bwy h MET 35 CO 0.00 0.24 -0.19 0.00 0.23 0.00 0.00 176.91 177.19 1bwy h THR 36 N -0.98 1.05 -3.74 -0.77 1.03 -1.84 -3.48 112.91 104.17 1bwy h THR 36 Ca -0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.72 1bwy h THR 36 Cb 0.41 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1bwy h THR 36 CO 0.02 0.18 -0.22 0.29 -0.01 0.00 0.00 175.52 175.78 1bwy n LYS 37 N -4.20 -0.93 -2.26 0.00 4.76 -1.26 -4.96 118.16 109.31 1bwy n LYS 37 Ca -0.02 1.12 -0.41 0.00 -2.87 0.00 0.00 58.31 56.13 1bwy n LYS 37 Cb 0.26 -2.75 -0.03 0.00 -1.84 0.00 0.00 35.03 30.66 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1bwy s PRO 38 N -1.20 4.42 0.04 1.97 0.04 -1.26 -4.90 135.00 134.11 1bwy s PRO 38 Ca 0.05 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1bwy s PRO 38 Cb -0.02 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1bwy s PRO 38 CO 0.26 -0.19 -0.23 0.99 0.04 0.00 0.00 177.00 177.87 1bwy s THR 39 N -0.02 2.43 -0.26 1.26 2.01 -0.11 -2.67 115.64 118.28 1bwy s THR 39 Ca 0.55 -1.28 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1bwy s THR 39 Cb -0.35 -1.98 0.07 0.00 0.01 0.00 0.00 72.50 70.25 1bwy s THR 39 CO 0.38 0.36 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.78 1bwy s THR 40 N -0.85 1.47 -0.29 -0.82 2.01 0.31 0.17 115.64 117.63 1bwy s THR 40 Ca 0.13 -1.35 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 1bwy s THR 40 Cb -0.10 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.57 1bwy s THR 40 CO 0.03 -0.26 0.92 -0.63 -0.69 0.00 0.00 174.62 174.00 1bwy s ILE 41 N 1.39 4.69 -0.23 1.82 1.01 -0.25 -0.64 121.20 129.00 1bwy s ILE 41 Ca -0.01 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.18 1bwy s ILE 41 Cb -0.19 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.09 1bwy s ILE 41 CO -0.09 -0.29 -0.07 -0.63 0.00 0.00 0.00 174.94 173.85 1bwy s ILE 42 N 3.21 1.60 0.10 2.92 1.01 0.66 -0.18 121.20 130.52 1bwy s ILE 42 Ca 0.39 -1.20 0.10 0.00 0.00 0.00 0.00 60.65 59.94 1bwy s ILE 42 Cb -0.14 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1bwy s ILE 42 CO 0.12 -0.03 -0.25 -0.70 0.00 0.00 0.00 174.94 174.08 1bwy s GLU 43 N 1.38 1.60 -0.41 2.79 2.56 -0.63 -0.62 118.70 125.37 1bwy s GLU 43 Ca -0.05 -1.24 -0.19 0.00 0.00 0.00 0.00 54.97 53.49 1bwy s GLU 43 Cb -0.18 -1.98 0.01 0.00 2.00 0.00 0.00 34.13 33.98 1bwy s GLU 43 CO -0.06 0.48 0.53 0.14 -0.56 0.00 0.00 175.26 175.78 1bwy s VAL 44 N -1.01 4.98 -1.08 3.70 -7.23 -1.26 -0.68 120.40 117.82 1bwy s VAL 44 Ca 0.14 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.24 1bwy s VAL 44 Cb -0.10 -4.07 -0.08 0.00 0.56 0.00 0.00 36.38 32.69 1bwy s VAL 44 CO 0.06 -0.42 3.00 0.59 -0.31 0.00 0.00 175.10 178.02 1bwy n ASN 45 N 5.86 7.61 0.00 4.85 4.13 0.14 -4.87 115.26 132.98 1bwy n ASN 45 Ca -0.05 -2.71 0.00 0.00 1.68 0.00 0.00 54.58 53.50 1bwy n ASN 45 Cb 0.48 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 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 2.74 0.38 0.12 7.41 0.00 -1.26 -1.60 105.19 112.99 1bwy n GLY 46 Ca 0.65 0.74 -0.17 0.00 0.00 0.00 0.00 46.02 47.24 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 0.32 -1.41 1.61 2.03 -1.99 -3.48 116.42 113.51 1bwy h ASP 47 Ca 0.00 -0.61 -0.47 0.00 -0.73 0.00 0.00 57.03 55.21 1bwy h ASP 47 Cb 0.00 -0.10 0.05 0.00 -0.83 0.00 0.00 39.33 38.44 1bwy h ASP 47 CO 0.00 1.54 -0.04 0.42 -1.03 0.00 0.00 179.24 180.13 1bwy s THR 48 N -2.58 2.25 -0.17 1.15 -4.23 -0.62 -4.53 115.64 106.90 1bwy s THR 48 Ca -0.14 -0.84 -0.15 0.00 -1.18 0.00 0.00 61.69 59.38 1bwy s THR 48 Cb 0.07 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.55 1bwy s THR 48 CO 0.81 0.00 0.45 0.54 -0.54 0.00 0.00 174.62 175.88 1bwy s VAL 49 N -2.80 -0.00 -0.12 2.29 0.11 0.40 0.26 120.40 120.52 1bwy s VAL 49 Ca 0.62 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.72 1bwy s VAL 49 Cb -0.06 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1bwy s VAL 49 CO 0.40 0.01 -0.23 -0.51 -3.33 0.00 0.00 175.10 171.44 1bwy s ILE 50 N 0.42 2.06 -0.12 7.04 2.07 0.15 -0.38 121.20 132.44 1bwy s ILE 50 Ca -0.01 -1.00 -0.06 0.00 -1.41 0.00 0.00 60.65 58.17 1bwy s ILE 50 Cb -0.04 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 1bwy s ILE 50 CO -0.02 0.55 0.11 -0.51 -1.91 0.00 0.00 174.94 173.17 1bwy s ILE 51 N 0.62 5.27 -0.11 2.00 -1.16 0.13 -1.61 121.20 126.33 1bwy s ILE 51 Ca -0.12 0.12 -0.01 0.00 -0.51 0.00 0.00 60.65 60.14 1bwy s ILE 51 Cb -0.17 -3.29 0.03 0.00 0.61 0.00 0.00 42.46 39.64 1bwy s ILE 51 CO 0.03 0.60 -0.07 -0.54 -2.81 0.00 0.00 174.94 172.15 1bwy s LYS 52 N -0.84 1.43 -0.82 3.50 1.02 0.74 -1.16 119.74 123.62 1bwy s LYS 52 Ca 0.14 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 55.64 1bwy s LYS 52 Cb -0.12 -1.56 0.04 0.00 -0.52 0.00 0.00 37.83 35.68 1bwy s LYS 52 CO 0.03 -0.28 1.30 0.99 -0.92 0.00 0.00 175.35 176.47 1bwy s THR 53 N 1.73 3.86 -0.55 2.17 2.01 0.50 -1.09 115.64 124.26 1bwy s THR 53 Ca 0.05 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 1bwy s THR 53 Cb -0.13 -4.93 0.03 0.00 0.01 0.00 0.00 72.50 67.48 1bwy s THR 53 CO -0.08 -1.84 1.23 -1.10 -0.69 0.00 0.00 174.62 172.14 1bwy s GLN 54 N 5.30 3.52 0.29 4.92 1.11 0.13 -3.56 119.66 131.36 1bwy s GLN 54 Ca 0.37 0.36 0.03 0.00 0.01 0.00 0.00 55.36 56.13 1bwy s GLN 54 Cb -0.06 -4.02 -0.01 0.00 -1.01 0.00 0.00 33.01 27.91 1bwy s GLN 54 CO 0.07 -1.67 0.12 0.43 0.01 0.00 0.00 175.29 174.25 1bwy n SER 55 N 8.54 0.95 -3.07 5.90 7.64 -1.26 -0.94 113.62 131.38 1bwy n SER 55 Ca 0.10 -2.59 -0.17 0.00 1.01 0.00 0.00 58.87 57.22 1bwy n SER 55 Cb 0.49 0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 64.49 1bwy n SER 55 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1bwy n THR 56 N -0.65 -0.29 0.00 0.44 -1.04 -1.26 -4.86 114.28 106.62 1bwy n THR 56 Ca -0.03 -3.61 0.00 0.00 -2.04 0.00 0.00 64.05 58.37 1bwy n THR 56 Cb 0.45 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1bwy n THR 56 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1bwy n PHE 57 N 0.80 -0.74 -3.65 -1.42 1.16 -1.26 -5.08 117.46 107.27 1bwy n PHE 57 Ca 0.19 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.69 1bwy n PHE 57 Cb 0.62 0.15 -0.08 0.00 -1.61 0.00 0.00 39.48 38.56 1bwy n PHE 57 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1bwy s LYS 58 N -1.58 0.68 0.17 3.97 2.20 -1.26 -5.18 119.74 118.74 1bwy s LYS 58 Ca 0.00 1.13 0.08 0.00 -0.36 0.00 0.00 55.97 56.82 1bwy s LYS 58 Cb 0.00 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1bwy s LYS 58 CO 0.00 -0.14 -0.16 -0.80 -0.36 0.00 0.00 175.35 173.88 1bwy s ASN 59 N 1.41 2.56 0.04 1.43 -0.87 -1.26 -4.61 114.94 113.64 1bwy s ASN 59 Ca -0.08 -0.91 -0.14 0.00 -1.57 0.00 0.00 52.86 50.15 1bwy s ASN 59 Cb -0.05 -0.14 0.02 0.00 -0.02 0.00 0.00 41.25 41.06 1bwy s ASN 59 CO -0.16 -0.09 0.32 0.42 -2.57 0.00 0.00 177.10 175.02 1bwy s THR 60 N -2.38 0.08 -0.14 1.60 -4.23 -1.23 -4.92 115.64 104.42 1bwy s THR 60 Ca 0.17 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.93 1bwy s THR 60 Cb -0.04 -0.90 0.04 0.00 1.34 0.00 0.00 72.50 72.94 1bwy s THR 60 CO 0.06 -0.35 0.38 -1.83 -0.54 0.00 0.00 174.62 172.34 1bwy s GLU 61 N -2.40 0.44 -0.08 3.99 -1.05 -1.26 -0.37 118.70 117.97 1bwy s GLU 61 Ca -0.06 0.54 -0.15 0.00 -0.15 0.00 0.00 54.97 55.15 1bwy s GLU 61 Cb -0.01 0.19 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 1bwy s GLU 61 CO -0.02 -0.06 0.37 0.42 0.95 0.00 0.00 175.26 176.91 1bwy s ILE 62 N 0.30 0.03 0.04 1.83 -1.09 -0.31 -5.00 121.20 116.99 1bwy s ILE 62 Ca -0.01 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.13 1bwy s ILE 62 Cb -0.03 -0.61 -0.05 0.00 -1.58 0.00 0.00 42.46 40.19 1bwy s ILE 62 CO -0.01 -0.12 0.29 -0.94 -1.23 0.00 0.00 174.94 172.93 1bwy s SER 63 N -0.61 6.49 0.37 3.58 1.04 -1.26 -0.70 113.70 122.61 1bwy s SER 63 Ca -0.07 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1bwy s SER 63 Cb -0.04 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 64.02 1bwy s SER 63 CO 0.03 0.21 0.57 0.72 0.98 0.00 0.00 173.24 175.75 1bwy s PHE 64 N -1.37 0.87 -0.05 5.02 -0.71 0.49 -4.99 117.98 117.24 1bwy s PHE 64 Ca 0.30 -1.21 -0.13 0.00 -1.04 0.00 0.00 56.93 54.86 1bwy s PHE 64 Cb -0.13 0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.85 1bwy s PHE 64 CO 0.18 -1.28 0.29 0.21 -1.34 0.00 0.00 175.22 173.29 1bwy s LYS 65 N -2.75 0.55 -0.77 1.99 2.20 -1.26 -0.46 119.74 119.24 1bwy s LYS 65 Ca 0.27 0.01 -0.21 0.00 -0.36 0.00 0.00 55.97 55.68 1bwy s LYS 65 Cb -0.02 0.25 -0.15 0.00 -1.51 0.00 0.00 37.83 36.40 1bwy s LYS 65 CO 0.19 -0.13 1.93 1.47 -0.36 0.00 0.00 175.35 178.45 1bwy n LEU 66 N 1.86 4.10 0.00 5.43 -0.00 -1.26 -3.52 117.00 123.61 1bwy n LEU 66 Ca -0.19 -2.86 0.00 0.00 -0.00 0.00 0.00 56.01 52.96 1bwy n LEU 66 Cb 0.57 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1bwy n LEU 66 CO 0.20 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 1bwy n GLY 67 N 4.47 -0.09 3.14 1.47 0.00 0.27 -4.48 105.19 109.97 1bwy n GLY 67 Ca 0.49 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.00 -0.18 1.61 1.01 0.07 -4.99 120.40 117.93 1bwy s VAL 68 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1bwy s VAL 68 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1bwy s VAL 68 CO 0.00 -0.02 0.04 -0.70 0.00 0.00 0.00 175.10 174.42 1bwy s GLU 69 N 0.05 3.90 0.19 2.72 -6.30 -1.26 -0.72 118.70 117.27 1bwy s GLU 69 Ca -0.01 -0.39 -0.23 0.00 -2.50 0.00 0.00 54.97 51.84 1bwy s GLU 69 Cb -0.02 -3.15 0.05 0.00 0.00 0.00 0.00 34.13 31.01 1bwy s GLU 69 CO 0.00 0.25 0.83 -0.59 0.02 0.00 0.00 175.26 175.77 1bwy s PHE 70 N 0.41 -0.20 0.15 5.30 -0.71 -0.21 -5.01 117.98 117.71 1bwy s PHE 70 Ca 0.02 -0.15 -0.30 0.00 -1.04 0.00 0.00 56.93 55.46 1bwy s PHE 70 Cb -0.13 0.65 -0.07 0.00 -1.21 0.00 0.00 43.02 42.27 1bwy s PHE 70 CO 0.01 -0.98 0.97 0.34 -1.34 0.00 0.00 175.22 174.22 1bwy s ASP 71 N -2.88 7.51 -0.47 1.98 -1.08 -1.26 -0.44 116.67 120.04 1bwy s ASP 71 Ca 0.10 1.87 0.03 0.00 -0.52 0.00 0.00 52.55 54.03 1bwy s ASP 71 Cb -0.03 -2.60 0.13 0.00 -1.46 0.00 0.00 42.92 38.96 1bwy s ASP 71 CO 0.02 -0.02 0.24 -0.70 0.52 0.00 0.00 175.17 175.22 1bwy s GLU 72 N -0.35 1.57 -0.44 4.34 2.12 0.10 -4.79 118.70 121.25 1bwy s GLU 72 Ca 0.46 -2.23 -0.24 0.00 0.36 0.00 0.00 54.97 53.31 1bwy s GLU 72 Cb -0.25 -2.77 0.02 0.00 0.26 0.00 0.00 34.13 31.40 1bwy s GLU 72 CO 0.31 -1.13 0.86 0.99 -0.54 0.00 0.00 175.26 175.76 1bwy s THR 73 N 0.14 4.57 0.08 -1.70 2.01 -1.26 -1.61 115.64 117.87 1bwy s THR 73 Ca 0.17 0.67 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 1bwy s THR 73 Cb -0.25 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 1bwy s THR 73 CO -0.01 -0.74 0.10 0.28 -0.69 0.00 0.00 174.62 173.56 1bwy s THR 74 N 3.51 0.16 -0.95 -0.82 -1.32 -0.00 -4.96 115.64 111.26 1bwy s THR 74 Ca 0.34 -1.52 0.26 0.00 -1.21 0.00 0.00 61.69 59.56 1bwy s THR 74 Cb -0.11 -1.52 0.09 0.00 -1.51 0.00 0.00 72.50 69.45 1bwy s THR 74 CO 0.24 -0.74 1.58 0.00 -2.21 0.00 0.00 174.62 173.48 1bwy n ALA 75 N -0.01 3.07 -0.08 11.08 0.00 -1.26 -0.52 120.51 132.78 1bwy n ALA 75 Ca -0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 1bwy n ALA 75 Cb 0.62 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.59 1.85 -1.26 0.00 5.75 -1.26 -4.66 116.55 115.38 1bwy n ASP 76 Ca 0.06 0.52 0.10 0.00 -0.01 0.00 0.00 54.79 55.47 1bwy n ASP 76 Cb 0.35 -0.86 0.30 0.00 -1.03 0.00 0.00 41.12 39.88 1bwy n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bwy n ASP 77 N -4.53 3.65 0.00 -1.12 8.00 -1.25 -4.54 116.55 116.76 1bwy n ASP 77 Ca -0.16 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1bwy n ASP 77 Cb 0.42 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bwy n ARG 78 N 1.39 0.00 -2.78 -1.24 3.00 0.32 -4.34 116.66 113.01 1bwy n ARG 78 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.64 1bwy n ARG 78 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.02 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1bwy s LYS 79 N 0.00 3.85 0.04 5.56 2.20 -1.26 -0.82 119.74 129.30 1bwy s LYS 79 Ca 0.00 0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 56.19 1bwy s LYS 79 Cb 0.00 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1bwy s LYS 79 CO 0.00 -0.98 0.06 0.54 -0.36 0.00 0.00 175.35 174.61 1bwy s VAL 80 N 3.56 0.14 -0.12 4.02 0.11 -0.64 -4.81 120.40 122.66 1bwy s VAL 80 Ca 0.39 -1.18 -0.23 0.00 -2.93 0.00 0.00 61.98 58.03 1bwy s VAL 80 Cb -0.12 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1bwy s VAL 80 CO 0.19 -0.65 0.71 -0.54 -3.33 0.00 0.00 175.10 171.49 1bwy s LYS 81 N -2.64 4.36 -0.36 1.54 1.02 0.53 0.01 119.74 124.19 1bwy s LYS 81 Ca -0.05 0.86 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 1bwy s LYS 81 Cb -0.01 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1bwy s LYS 81 CO -0.05 -0.08 0.93 -1.54 -0.92 0.00 0.00 175.35 173.69 1bwy s SER 82 N 0.96 6.70 -0.52 2.83 1.04 0.42 -0.85 113.70 124.27 1bwy s SER 82 Ca 0.36 0.62 -0.02 0.00 0.48 0.00 0.00 55.95 57.38 1bwy s SER 82 Cb -0.17 -2.47 0.14 0.00 0.10 0.00 0.00 66.02 63.62 1bwy s SER 82 CO 0.15 -0.85 0.32 -0.63 0.98 0.00 0.00 173.24 173.21 1bwy s ILE 83 N 3.47 3.44 -0.04 -1.02 1.01 0.31 -1.05 121.20 127.32 1bwy s ILE 83 Ca 0.38 -2.59 0.05 0.00 0.00 0.00 0.00 60.65 58.50 1bwy s ILE 83 Cb -0.12 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1bwy s ILE 83 CO 0.18 -0.79 -0.20 -0.69 0.00 0.00 0.00 174.94 173.45 1bwy s VAL 84 N 0.45 2.58 0.31 2.92 1.01 0.10 -0.37 120.40 127.39 1bwy s VAL 84 Ca 0.13 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1bwy s VAL 84 Cb -0.22 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1bwy s VAL 84 CO -0.04 0.58 0.66 -0.89 0.00 0.00 0.00 175.10 175.41 1bwy s THR 85 N -0.56 0.00 -0.03 3.92 2.01 -0.33 -0.56 115.64 120.08 1bwy s THR 85 Ca 0.08 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1bwy s THR 85 Cb -0.11 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 70.02 1bwy s THR 85 CO 0.01 0.00 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.33 1bwy s LEU 86 N -3.02 1.82 -1.35 4.42 0.05 -1.26 -0.32 118.68 119.02 1bwy s LEU 86 Ca 0.17 -0.26 -0.07 0.00 0.05 0.00 0.00 54.13 54.03 1bwy s LEU 86 Cb -0.04 -0.73 0.10 0.00 -2.05 0.00 0.00 46.19 43.47 1bwy s LEU 86 CO 0.10 0.10 2.36 0.47 -0.55 0.00 0.00 176.35 178.83 1bwy n ASP 87 N 3.27 7.57 0.00 1.48 8.00 0.42 -4.68 116.55 132.61 1bwy n ASP 87 Ca -0.18 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.24 1bwy n ASP 87 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1bwy n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwy n GLY 88 N 2.13 1.04 2.70 0.44 0.00 -1.26 -4.18 105.19 106.06 1bwy n GLY 88 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.41 0.00 -0.02 0.00 -1.26 -5.10 105.19 98.40 1bwy n GLY 89 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1bwy n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bwy n LYS 90 N 0.41 0.00 -2.89 1.61 2.85 -1.26 -4.96 118.16 113.92 1bwy n LYS 90 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1bwy n LYS 90 Cb 0.73 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.07 1bwy n LYS 90 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1bwy s LEU 91 N 0.00 4.26 -0.32 -5.58 -0.00 -0.33 -0.44 118.68 116.27 1bwy s LEU 91 Ca 0.00 1.30 -0.05 0.00 -0.00 0.00 0.00 54.13 55.38 1bwy s LEU 91 Cb 0.00 -3.27 0.04 0.00 -0.00 0.00 0.00 46.19 42.96 1bwy s LEU 91 CO 0.00 -0.29 0.07 0.68 -0.00 0.00 0.00 176.35 176.81 1bwy s VAL 92 N 1.49 3.54 -0.86 1.48 -7.23 0.56 -1.20 120.40 118.18 1bwy s VAL 92 Ca 0.41 -1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 59.27 1bwy s VAL 92 Cb -0.18 -2.99 0.21 0.00 0.56 0.00 0.00 36.38 33.98 1bwy s VAL 92 CO 0.18 -0.13 0.84 -2.28 -0.31 0.00 0.00 175.10 173.39 1bwy s HIS 93 N 1.36 3.73 0.27 2.82 5.04 -0.03 -1.19 115.29 127.30 1bwy s HIS 93 Ca -0.02 -1.98 -0.29 0.00 -1.54 0.00 0.00 55.06 51.22 1bwy s HIS 93 Cb -0.19 -3.87 -0.09 0.00 0.04 0.00 0.00 32.58 28.46 1bwy s HIS 93 CO 0.01 -1.04 1.10 0.08 -2.34 0.00 0.00 174.74 172.55 1bwy s VAL 94 N 0.33 3.53 -0.38 0.89 1.01 0.50 -0.79 120.40 125.49 1bwy s VAL 94 Ca 0.21 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.71 1bwy s VAL 94 Cb -0.09 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.44 1bwy s VAL 94 CO -0.09 0.35 0.17 -1.58 0.00 0.00 0.00 175.10 173.95 1bwy s GLN 95 N -1.33 1.00 -0.24 2.72 2.00 0.21 -0.53 119.66 123.49 1bwy s GLN 95 Ca 0.45 -1.56 -0.00 0.00 -2.00 0.00 0.00 55.36 52.25 1bwy s GLN 95 Cb -0.32 -2.15 0.03 0.00 0.80 0.00 0.00 33.01 31.37 1bwy s GLN 95 CO 0.40 -1.08 -0.10 0.21 -0.50 0.00 0.00 175.29 174.22 1bwy s LYS 96 N 0.95 2.72 -0.18 1.67 2.20 -0.03 -0.40 119.74 126.67 1bwy s LYS 96 Ca 0.14 -1.04 -0.14 0.00 -0.36 0.00 0.00 55.97 54.57 1bwy s LYS 96 Cb -0.21 -2.88 -0.08 0.00 -1.51 0.00 0.00 37.83 33.15 1bwy s LYS 96 CO -0.10 -0.41 -0.16 -2.67 -0.36 0.00 0.00 175.35 171.65 1bwy n TRP 97 N 4.60 0.62 0.00 4.03 2.14 -1.15 -0.35 117.44 127.33 1bwy n TRP 97 Ca -0.17 0.27 0.00 0.00 2.07 0.00 0.00 57.50 59.67 1bwy n TRP 97 Cb 0.46 -0.80 0.00 0.00 -0.81 0.00 0.00 31.31 30.16 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 -4.50 0.00 0.22 -0.67 6.94 -1.26 -4.75 115.26 111.24 1bwy n ASN 98 Ca -0.20 0.00 0.09 0.00 -0.02 0.00 0.00 54.58 54.45 1bwy n ASN 98 Cb 0.49 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.36 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 -2.38 4.83 0.00 -2.03 -3.44 103.07 100.05 1bwy h GLY 99 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1bwy h GLY 99 CO 0.00 0.00 -0.53 1.20 0.00 0.00 0.00 176.54 177.21 1bwy s GLN 100 N -3.71 1.38 0.21 4.80 1.11 -1.26 -5.18 119.66 117.01 1bwy s GLN 100 Ca -0.00 -1.69 0.01 0.00 0.01 0.00 0.00 55.36 53.69 1bwy s GLN 100 Cb 0.11 0.31 -0.05 0.00 -1.01 0.00 0.00 33.01 32.37 1bwy s GLN 100 CO 0.64 -0.49 0.06 -1.83 0.01 0.00 0.00 175.29 173.69 1bwy s GLU 101 N -3.94 1.23 0.10 2.91 1.03 -1.26 -2.92 118.70 115.85 1bwy s GLU 101 Ca 0.38 -1.63 0.03 0.00 0.03 0.00 0.00 54.97 53.77 1bwy s GLU 101 Cb 0.05 -0.15 -0.04 0.00 -0.80 0.00 0.00 34.13 33.19 1bwy s GLU 101 CO 0.16 -0.25 -0.09 0.95 -1.33 0.00 0.00 175.26 174.70 1bwy s THR 102 N -3.80 0.88 0.06 1.83 -4.23 0.46 -4.38 115.64 106.46 1bwy s THR 102 Ca 0.32 -1.79 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 1bwy s THR 102 Cb 0.07 -1.52 -0.06 0.00 1.34 0.00 0.00 72.50 72.32 1bwy s THR 102 CO 0.09 -0.69 0.60 -0.94 -0.54 0.00 0.00 174.62 173.14 1bwy s SER 103 N -2.74 7.07 -0.57 3.99 1.04 -0.12 -0.62 113.70 121.75 1bwy s SER 103 Ca 0.09 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.83 1bwy s SER 103 Cb 0.01 -2.38 0.15 0.00 0.10 0.00 0.00 66.02 63.90 1bwy s SER 103 CO -0.01 0.21 0.37 -0.76 0.98 0.00 0.00 173.24 174.02 1bwy s LEU 104 N -0.78 3.75 -0.01 2.42 1.43 0.03 -2.80 118.68 122.72 1bwy s LEU 104 Ca 0.31 -3.30 0.00 0.00 -1.03 0.00 0.00 54.13 50.11 1bwy s LEU 104 Cb -0.19 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1bwy s LEU 104 CO 0.19 -0.17 0.04 0.54 0.23 0.00 0.00 176.35 177.18 1bwy s VAL 105 N -0.60 4.42 0.08 -1.59 0.11 -1.09 -0.85 120.40 120.89 1bwy s VAL 105 Ca 0.23 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 58.66 1bwy s VAL 105 Cb -0.12 -2.99 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 1bwy s VAL 105 CO -0.10 0.39 0.32 0.00 -3.33 0.00 0.00 175.10 172.38 1bwy s ARG 106 N -1.57 0.92 -0.05 1.54 3.03 -0.34 -2.80 118.95 119.68 1bwy s ARG 106 Ca 0.20 -0.68 -0.29 0.00 2.03 0.00 0.00 55.73 56.99 1bwy s ARG 106 Cb -0.12 0.40 0.10 0.00 -1.03 0.00 0.00 34.95 34.30 1bwy s ARG 106 CO 0.11 -0.32 0.84 -2.00 -1.13 0.00 0.00 175.30 172.80 1bwy s GLU 107 N -3.33 0.85 -0.17 3.89 2.56 -1.20 -1.19 118.70 120.12 1bwy s GLU 107 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.97 54.95 1bwy s GLU 107 Cb 0.02 0.40 -0.00 0.00 2.00 0.00 0.00 34.13 36.54 1bwy s GLU 107 CO -0.08 -0.31 -0.12 1.41 -0.56 0.00 0.00 175.26 175.59 1bwy s MET 108 N -1.97 3.28 0.43 4.30 -2.45 -1.26 -0.49 119.30 121.13 1bwy s MET 108 Ca -0.02 -0.71 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 1bwy s MET 108 Cb -0.01 -2.72 -0.02 0.00 1.25 0.00 0.00 34.83 33.34 1bwy s MET 108 CO -0.01 -0.00 0.14 0.14 1.05 0.00 0.00 175.02 176.34 1bwy s VAL 109 N 0.89 0.54 0.00 10.11 -7.23 -1.20 -5.01 120.40 118.51 1bwy s VAL 109 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1bwy s VAL 109 Cb -0.15 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1bwy s VAL 109 CO -0.01 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.11 1bwy n ASP 110 N -1.42 0.00 -1.35 4.85 2.03 -1.26 -2.61 116.55 116.79 1bwy n ASP 110 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1bwy n ASP 110 Cb 0.65 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.84 3.09 0.27 0.00 -1.26 -5.10 105.19 103.03 1bwy n GLY 111 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.02 0.57 -0.26 1.61 1.02 -1.07 -4.54 119.74 117.04 1bwy s LYS 112 Ca 0.23 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1bwy s LYS 112 Cb 0.26 0.21 0.07 0.00 -0.52 0.00 0.00 37.83 37.85 1bwy s LYS 112 CO -0.11 -0.12 -0.06 -1.17 -0.92 0.00 0.00 175.35 172.96 1bwy s LEU 113 N -2.42 3.31 0.34 3.17 0.20 0.28 -3.22 118.68 120.34 1bwy s LEU 113 Ca -0.01 -1.44 -0.28 0.00 0.69 0.00 0.00 54.13 53.10 1bwy s LEU 113 Cb 0.02 -1.42 -0.09 0.00 -0.43 0.00 0.00 46.19 44.27 1bwy s LEU 113 CO -0.07 -0.24 1.18 -0.63 -0.29 0.00 0.00 176.35 176.30 1bwy s ILE 114 N 1.18 3.18 -0.51 6.68 -1.09 0.35 -0.22 121.20 130.77 1bwy s ILE 114 Ca -0.05 1.11 0.03 0.00 -2.23 0.00 0.00 60.65 59.51 1bwy s ILE 114 Cb -0.19 -3.67 0.15 0.00 -1.58 0.00 0.00 42.46 37.16 1bwy s ILE 114 CO -0.06 0.20 0.32 -0.22 -1.23 0.00 0.00 174.94 173.95 1bwy s LEU 115 N -1.95 3.18 -0.40 2.97 2.96 0.47 -3.25 118.68 122.65 1bwy s LEU 115 Ca 0.51 -3.05 -0.17 0.00 -0.22 0.00 0.00 54.13 51.20 1bwy s LEU 115 Cb -0.33 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.22 1bwy s LEU 115 CO 0.43 -0.20 0.46 -0.89 -1.32 0.00 0.00 176.35 174.82 1bwy s THR 116 N -0.21 5.06 -0.21 3.68 2.01 -1.12 -0.60 115.64 124.25 1bwy s THR 116 Ca 0.22 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 1bwy s THR 116 Cb -0.15 -4.01 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 1bwy s THR 116 CO -0.07 -0.35 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.68 1bwy s LEU 117 N 2.23 2.78 -0.14 4.42 1.43 0.28 -2.68 118.68 126.98 1bwy s LEU 117 Ca 0.14 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1bwy s LEU 117 Cb -0.16 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1bwy s LEU 117 CO 0.14 -0.01 -0.21 -0.89 0.23 0.00 0.00 176.35 175.61 1bwy s THR 118 N 1.41 2.19 0.06 5.49 2.01 -1.12 -0.49 115.64 125.18 1bwy s THR 118 Ca 0.05 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.19 1bwy s THR 118 Cb -0.14 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1bwy s THR 118 CO -0.04 0.54 -0.23 -2.28 -0.69 0.00 0.00 174.62 171.92 1bwy s HIS 119 N 0.78 1.97 0.20 4.92 5.04 0.18 -0.94 115.29 127.44 1bwy s HIS 119 Ca -0.07 -0.39 -0.11 0.00 -1.54 0.00 0.00 55.06 52.94 1bwy s HIS 119 Cb -0.16 -1.15 0.26 0.00 0.04 0.00 0.00 32.58 31.58 1bwy s HIS 119 CO -0.01 0.14 1.26 0.41 -2.34 0.00 0.00 174.74 174.21 1bwy n GLY 120 N 1.61 -1.55 0.13 1.59 0.00 -1.26 -0.39 105.19 105.31 1bwy n GLY 120 Ca -0.18 0.89 -0.11 0.00 0.00 0.00 0.00 46.02 46.62 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bwy h THR 121 N 0.00 1.47 -3.58 2.61 2.02 -1.97 -3.47 112.91 109.99 1bwy h THR 121 Ca 0.32 -2.67 -0.28 0.00 0.77 0.00 0.00 66.41 64.56 1bwy h THR 121 Cb 0.53 2.55 -0.32 0.00 -1.74 0.00 0.00 68.15 69.16 1bwy h THR 121 CO -0.82 0.78 -0.72 0.00 0.37 0.00 0.00 175.52 175.13 1bwy s ALA 122 N -3.11 0.05 -0.21 6.16 0.00 0.48 -5.13 121.76 119.99 1bwy s ALA 122 Ca -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1bwy s ALA 122 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1bwy s ALA 122 CO 0.85 -0.08 -0.05 0.54 0.00 0.00 0.00 175.76 177.02 1bwy s VAL 123 N 0.75 3.35 -0.26 0.00 0.11 -1.26 -0.65 120.40 122.44 1bwy s VAL 123 Ca -0.06 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 1bwy s VAL 123 Cb -0.09 -2.51 0.06 0.00 -1.53 0.00 0.00 36.38 32.31 1bwy s VAL 123 CO -0.02 0.44 -0.08 0.00 -3.33 0.00 0.00 175.10 172.10 1bwy s THR 125 N 1.19 3.30 0.40 0.00 -4.23 -1.25 -0.56 115.64 114.49 1bwy s THR 125 Ca -0.07 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1bwy s THR 125 Cb -0.20 -3.11 -0.00 0.00 1.34 0.00 0.00 72.50 70.53 1bwy s THR 125 CO -0.06 -0.46 0.03 0.54 -0.54 0.00 0.00 174.62 174.13 1bwy n ARG 126 N 4.64 0.91 -3.88 3.99 1.74 0.23 -4.27 116.66 120.02 1bwy n ARG 126 Ca -0.07 -3.01 -0.10 0.00 -0.77 0.00 0.00 57.85 53.90 1bwy n ARG 126 Cb 0.42 0.99 -0.09 0.00 -1.02 0.00 0.00 32.46 32.76 1bwy n ARG 126 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1bwy s THR 127 N -2.58 0.12 0.34 0.55 -1.32 -1.26 -0.39 115.64 111.09 1bwy s THR 127 Ca 0.04 -1.00 0.09 0.00 -1.21 0.00 0.00 61.69 59.61 1bwy s THR 127 Cb 0.00 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.99 1bwy s THR 127 CO 0.03 -0.55 0.02 -0.31 -2.21 0.00 0.00 174.62 171.60 1bwy s TYR 128 N -2.71 2.55 -0.02 9.09 2.02 0.69 -0.92 117.35 128.04 1bwy s TYR 128 Ca -0.04 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 1bwy s TYR 128 Cb -0.00 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1bwy s TYR 128 CO -0.05 0.47 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.28 1bwy s GLU 129 N -3.72 1.17 -0.43 -0.62 2.12 0.33 -0.55 118.70 117.00 1bwy s GLU 129 Ca 0.35 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 1bwy s GLU 129 Cb -0.00 -1.08 0.01 0.00 0.26 0.00 0.00 34.13 33.32 1bwy s GLU 129 CO 0.19 0.19 1.39 0.21 -0.54 0.00 0.00 175.26 176.71 1bwy s LYS 130 N 0.01 3.56 0.15 4.30 2.20 -1.26 -0.37 119.74 128.33 1bwy s LYS 130 Ca -0.01 0.86 0.19 0.00 -0.36 0.00 0.00 55.97 56.65 1bwy s LYS 130 Cb -0.08 -4.02 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 1bwy s LYS 130 CO 0.01 -1.58 1.01 -0.56 -0.36 0.00 0.00 175.35 173.86 1bwy h GLN 131 N 10.62 0.00 0.00 4.03 3.07 -1.12 -3.47 115.11 128.23 1bwy h GLN 131 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 1bwy h GLN 131 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1bwy h GLN 131 CO 1.10 0.21 0.00 0.00 0.09 0.00 0.00 178.83 180.23