#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 1.46 0.05 6.55 9.92 -1.26 -0.69 116.55 132.58 1bwy n ASP 2 Ca 0.00 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 1bwy n ASP 2 Cb 0.00 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 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 7.21 0.00 -0.89 2.24 0.00 -1.26 -5.01 120.51 122.81 1bwy n ALA 3 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 1bwy n ALA 3 Cb 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 1bwy n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bwy n PHE 4 N -2.93 0.00 -3.27 0.00 3.72 0.13 -4.39 117.46 110.72 1bwy n PHE 4 Ca 0.00 -1.36 -0.23 0.00 -0.05 0.00 0.00 57.45 55.80 1bwy n PHE 4 Cb 0.00 -1.40 -0.08 0.00 -0.94 0.00 0.00 39.48 37.06 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 2.39 -0.98 0.00 -4.37 0.31 -0.88 -0.23 118.33 114.58 1bwy n VAL 5 Ca 0.35 -3.19 0.00 0.00 -0.01 0.00 0.00 64.34 61.49 1bwy n VAL 5 Cb 0.82 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 2.59 0.78 3.79 2.92 0.00 0.31 -4.90 105.19 110.68 1bwy n GLY 6 Ca 0.27 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.60 4.69 0.25 2.61 2.01 0.16 -0.86 115.64 122.90 1bwy s THR 7 Ca 0.00 1.36 0.11 0.00 0.31 0.00 0.00 61.69 63.47 1bwy s THR 7 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1bwy s THR 7 CO 0.00 0.51 -0.18 0.26 -0.69 0.00 0.00 174.62 174.52 1bwy s TRP 8 N -0.87 2.36 0.11 4.92 0.52 0.55 -0.18 118.94 126.35 1bwy s TRP 8 Ca 0.31 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.16 1bwy s TRP 8 Cb -0.20 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1bwy s TRP 8 CO 0.21 0.65 -0.11 -1.59 0.02 0.00 0.00 176.95 176.12 1bwy s LYS 9 N -3.30 0.93 0.46 4.98 0.00 0.20 -0.64 119.74 122.36 1bwy s LYS 9 Ca 0.28 -1.23 -0.24 0.00 0.00 0.00 0.00 55.97 54.78 1bwy s LYS 9 Cb -0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 37.83 37.05 1bwy s LYS 9 CO 0.14 0.10 1.24 -1.17 0.00 0.00 0.00 175.35 175.67 1bwy s LEU 10 N -2.57 4.04 0.11 2.77 0.20 0.70 -0.49 118.68 123.44 1bwy s LEU 10 Ca 0.08 2.49 0.00 0.00 0.69 0.00 0.00 54.13 57.39 1bwy s LEU 10 Cb -0.02 -4.14 0.00 0.00 -0.43 0.00 0.00 46.19 41.59 1bwy s LEU 10 CO 0.01 -1.01 0.00 0.55 -0.29 0.00 0.00 176.35 175.60 1bwy n VAL 11 N -0.40 0.47 -4.97 1.68 3.14 0.03 -4.78 118.33 113.50 1bwy n VAL 11 Ca 0.07 0.16 -0.31 0.00 -2.96 0.00 0.00 64.34 61.29 1bwy n VAL 11 Cb 0.46 -1.14 -0.14 0.00 -1.06 0.00 0.00 33.84 31.96 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 -5.38 3.53 -0.11 6.55 1.01 -1.02 -4.99 116.67 116.26 1bwy s ASP 12 Ca 0.00 -0.40 -0.30 0.00 0.71 0.00 0.00 52.55 52.56 1bwy s ASP 12 Cb 0.00 -0.54 0.12 0.00 1.01 0.00 0.00 42.92 43.50 1bwy s ASP 12 CO 0.00 0.30 0.95 -0.55 0.21 0.00 0.00 175.17 176.08 1bwy s SER 13 N -0.95 -0.39 -0.15 0.27 0.15 -1.26 -0.30 113.70 111.07 1bwy s SER 13 Ca 0.12 0.32 -0.33 0.00 0.70 0.00 0.00 55.95 56.75 1bwy s SER 13 Cb -0.10 0.34 0.13 0.00 -1.71 0.00 0.00 66.02 64.68 1bwy s SER 13 CO 0.01 -0.43 1.13 -1.59 1.20 0.00 0.00 173.24 173.56 1bwy s LYS 14 N -1.66 0.43 0.00 5.44 -2.85 -1.24 -4.97 119.74 114.89 1bwy s LYS 14 Ca -0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.82 1bwy s LYS 14 Cb -0.01 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1bwy s LYS 14 CO -0.01 -0.18 0.00 0.09 0.10 0.00 0.00 175.35 175.35 1bwy n ASN 15 N -0.07 0.00 -0.15 0.03 4.13 -1.26 -3.70 115.26 114.24 1bwy n ASN 15 Ca -0.02 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.13 1bwy n ASN 15 Cb 0.59 -0.81 -0.01 0.00 -1.54 0.00 0.00 39.78 38.01 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1bwy h PHE 16 N 0.00 0.97 -0.07 3.10 3.04 -1.86 0.69 116.94 122.80 1bwy h PHE 16 Ca 0.00 -0.21 0.01 0.00 3.98 0.00 0.00 57.97 61.74 1bwy h PHE 16 Cb 0.00 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.27 1bwy h PHE 16 CO 0.00 0.97 -0.04 -0.40 -2.02 0.00 0.00 178.31 176.82 1bwy n ASP 17 N -4.26 -0.08 -0.09 0.41 5.75 -1.26 -0.55 116.55 116.47 1bwy n ASP 17 Ca -0.01 0.80 -0.07 0.00 -0.01 0.00 0.00 54.79 55.51 1bwy n ASP 17 Cb 0.39 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1bwy n ASP 17 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bwy h ASP 18 N 0.00 0.12 -0.64 -1.12 3.58 -1.89 -2.95 116.42 113.53 1bwy h ASP 18 Ca 0.01 0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.61 1bwy h ASP 18 Cb 0.03 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 40.98 1bwy h ASP 18 CO -0.07 0.11 -0.27 0.22 -2.88 0.00 0.00 179.24 176.34 1bwy h TYR 19 N 0.25 -0.71 -0.12 0.28 3.20 -0.31 0.27 116.97 119.83 1bwy h TYR 19 Ca 0.14 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1bwy h TYR 19 Cb 0.11 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1bwy h TYR 19 CO -0.14 -0.35 -0.07 0.00 -1.64 0.00 0.00 178.16 175.96 1bwy h MET 20 N -0.10 0.17 0.57 1.82 -0.00 -0.68 0.22 114.93 116.94 1bwy h MET 20 Ca 0.28 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.92 1bwy h MET 20 Cb 0.54 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 32.12 1bwy h MET 20 CO -0.70 0.26 -0.27 -0.22 -0.00 0.00 0.00 176.91 175.97 1bwy h LYS 21 N 0.17 -0.74 -0.51 -0.10 3.64 -0.42 0.16 116.57 118.77 1bwy h LYS 21 Ca 0.04 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1bwy h LYS 21 Cb 0.25 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1bwy h LYS 21 CO 0.01 -0.49 0.17 1.03 -2.27 0.00 0.00 179.45 177.90 1bwy h SER 22 N -0.93 0.15 0.51 4.20 0.87 -0.67 -2.46 113.55 115.22 1bwy h SER 22 Ca -0.08 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1bwy h SER 22 Cb 0.59 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1bwy h SER 22 CO 0.13 0.11 0.00 -0.11 -0.53 0.00 0.00 176.83 176.43 1bwy n LEU 23 N -5.02 0.00 -2.65 2.23 7.94 0.76 -4.89 117.00 115.37 1bwy n LEU 23 Ca 0.06 0.48 -0.11 0.00 -1.11 0.00 0.00 56.01 55.32 1bwy n LEU 23 Cb 0.22 -0.48 0.06 0.00 0.53 0.00 0.00 43.42 43.75 1bwy n LEU 23 CO 0.23 -0.23 0.07 0.61 -1.11 0.00 0.00 177.39 176.96 1bwy n GLY 24 N 0.08 -0.16 0.15 -3.96 0.00 -0.93 -4.93 105.19 95.45 1bwy n GLY 24 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bwy n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bwy n VAL 25 N -3.06 0.00 -0.10 1.61 0.24 -1.02 -4.97 118.33 111.03 1bwy n VAL 25 Ca -0.17 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.05 1bwy n VAL 25 Cb 0.61 -0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 1bwy n VAL 25 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1bwy h GLY 26 N 0.00 -1.44 0.00 7.63 0.00 -0.99 -3.29 103.07 104.98 1bwy h GLY 26 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1bwy h GLY 26 CO 0.00 -0.39 0.00 0.69 0.00 0.00 0.00 176.54 176.84 1bwy n PHE 27 N -4.25 0.00 -2.27 5.60 3.72 -1.26 -0.49 117.46 118.50 1bwy n PHE 27 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1bwy n PHE 27 Cb 0.19 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 7.40 5.41 -0.33 4.37 0.00 -1.26 -4.56 120.51 131.53 1bwy n ALA 28 Ca 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.24 1bwy n ALA 28 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.53 0.00 0.42 0.00 -1.04 0.36 -4.91 114.28 108.57 1bwy n THR 29 Ca 0.43 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.56 1bwy n THR 29 Cb 0.61 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 69.59 1bwy n THR 29 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bwy n ARG 30 N -2.00 0.19 -0.35 -2.82 3.00 0.18 -0.86 116.66 114.00 1bwy n ARG 30 Ca 0.00 0.40 0.07 0.00 -0.01 0.00 0.00 57.85 58.31 1bwy n ARG 30 Cb 0.00 -1.85 0.25 0.00 0.00 0.00 0.00 32.46 30.86 1bwy n ARG 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 1bwy h GLN 31 N 0.00 0.96 0.09 5.56 -0.00 -1.48 0.11 115.11 120.34 1bwy h GLN 31 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1bwy h GLN 31 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1bwy h GLN 31 CO 0.00 0.63 -0.04 0.28 -0.00 0.00 0.00 178.83 179.70 1bwy h VAL 32 N 0.99 0.64 -0.94 1.86 2.07 -1.29 -3.36 116.25 116.22 1bwy h VAL 32 Ca 0.48 -1.30 0.19 0.00 0.82 0.00 0.00 66.70 66.88 1bwy h VAL 32 Cb 0.46 1.17 -0.18 0.00 -1.52 0.00 0.00 31.29 31.22 1bwy h VAL 32 CO -0.24 0.20 -0.22 1.23 0.02 0.00 0.00 177.57 178.57 1bwy h GLY 33 N -0.98 0.71 1.95 2.17 0.00 -0.67 0.12 103.07 106.37 1bwy h GLY 33 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1bwy h GLY 33 CO 0.02 -0.37 -0.04 1.16 0.00 0.00 0.00 176.54 177.31 1bwy n ASN 34 N -5.59 0.81 -0.02 0.19 6.94 0.34 -2.96 115.26 114.97 1bwy n ASN 34 Ca 0.15 0.55 -0.02 0.00 -0.02 0.00 0.00 54.58 55.24 1bwy n ASN 34 Cb 0.49 -0.74 -0.01 0.00 -2.36 0.00 0.00 39.78 37.16 1bwy n ASN 34 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1bwy h MET 35 N 0.00 -0.06 -5.64 -3.83 2.86 -1.13 -3.44 114.93 103.69 1bwy h MET 35 Ca 0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.24 1bwy h MET 35 Cb 0.74 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1bwy h MET 35 CO 0.00 0.04 1.21 -0.08 1.06 0.00 0.00 176.91 179.14 1bwy s THR 36 N -1.82 3.65 -0.42 2.22 -1.32 0.20 -4.49 115.64 113.66 1bwy s THR 36 Ca -0.02 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 1bwy s THR 36 Cb -0.00 -4.58 0.19 0.00 -1.51 0.00 0.00 72.50 66.60 1bwy s THR 36 CO 0.08 -1.22 0.84 -1.59 -2.21 0.00 0.00 174.62 170.51 1bwy s LYS 37 N 6.11 0.68 0.03 7.08 0.00 -1.26 -4.60 119.74 127.77 1bwy s LYS 37 Ca 0.65 -0.52 -0.23 0.00 0.00 0.00 0.00 55.97 55.87 1bwy s LYS 37 Cb -0.01 0.01 -0.16 0.00 0.00 0.00 0.00 37.83 37.67 1bwy s LYS 37 CO 0.07 -0.89 1.43 -1.00 0.00 0.00 0.00 175.35 174.97 1bwy h PRO 38 N 5.38 0.14 -6.35 1.78 0.13 -1.79 -3.44 132.00 127.85 1bwy h PRO 38 Ca 0.03 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.55 1bwy h PRO 38 Cb 1.16 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1bwy h PRO 38 CO -0.01 0.44 0.03 0.95 -0.23 0.00 0.00 178.00 179.18 1bwy s THR 39 N -4.82 4.64 -0.16 1.56 -4.23 -1.18 -0.22 115.64 111.23 1bwy s THR 39 Ca -0.15 1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.62 1bwy s THR 39 Cb 0.04 -3.93 0.08 0.00 1.34 0.00 0.00 72.50 70.03 1bwy s THR 39 CO 0.70 0.47 0.29 -0.89 -0.54 0.00 0.00 174.62 174.65 1bwy s THR 40 N -1.21 -0.45 0.18 3.99 2.01 0.18 -1.40 115.64 118.95 1bwy s THR 40 Ca 0.33 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.24 1bwy s THR 40 Cb -0.20 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 1bwy s THR 40 CO 0.21 0.04 0.80 -0.63 -0.69 0.00 0.00 174.62 174.35 1bwy s ILE 41 N 2.44 4.32 -0.16 1.82 1.01 -0.25 -0.33 121.20 130.05 1bwy s ILE 41 Ca 0.03 1.75 -0.04 0.00 0.00 0.00 0.00 60.65 62.39 1bwy s ILE 41 Cb -0.13 -4.15 0.06 0.00 0.01 0.00 0.00 42.46 38.24 1bwy s ILE 41 CO -0.10 0.50 0.06 -0.63 0.00 0.00 0.00 174.94 174.77 1bwy s ILE 42 N -1.18 0.16 -0.08 2.92 1.01 -0.04 -0.59 121.20 123.40 1bwy s ILE 42 Ca 0.37 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.80 1bwy s ILE 42 Cb -0.23 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1bwy s ILE 42 CO 0.27 -0.18 -0.09 -1.61 0.00 0.00 0.00 174.94 173.33 1bwy s GLU 43 N 2.03 1.46 -0.55 2.79 2.02 -0.01 -0.53 118.70 125.91 1bwy s GLU 43 Ca 0.01 -0.29 -0.26 0.00 0.02 0.00 0.00 54.97 54.46 1bwy s GLU 43 Cb -0.16 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.65 1bwy s GLU 43 CO -0.08 -0.11 2.18 0.54 0.02 0.00 0.00 175.26 177.81 1bwy s VAL 44 N 1.15 3.15 -1.12 2.63 0.11 0.69 -0.81 120.40 126.20 1bwy s VAL 44 Ca -0.06 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 1bwy s VAL 44 Cb -0.14 -3.40 -0.07 0.00 -1.53 0.00 0.00 36.38 31.24 1bwy s VAL 44 CO -0.02 -0.39 2.24 -3.20 -3.33 0.00 0.00 175.10 170.40 1bwy n ASN 45 N 14.67 4.68 0.00 3.54 5.15 0.21 -4.84 115.26 138.66 1bwy n ASN 45 Ca 0.30 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.70 1bwy n ASN 45 Cb 0.54 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 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 4.03 0.34 0.32 8.20 0.00 -1.26 -1.22 105.19 115.61 1bwy n GLY 46 Ca 0.54 0.76 0.11 0.00 0.00 0.00 0.00 46.02 47.43 1bwy n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bwy n ASP 47 N 1.64 1.66 -4.44 1.61 5.68 -1.26 -4.97 116.55 116.48 1bwy n ASP 47 Ca 0.00 -1.33 -0.21 0.00 -0.50 0.00 0.00 54.79 52.75 1bwy n ASP 47 Cb 0.00 0.65 -0.10 0.00 -1.14 0.00 0.00 41.12 40.52 1bwy n ASP 47 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1bwy s THR 48 N -2.66 1.51 -0.22 2.12 -4.23 -0.36 -4.03 115.64 107.78 1bwy s THR 48 Ca 0.15 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1bwy s THR 48 Cb 0.17 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1bwy s THR 48 CO 0.67 -0.22 0.01 -0.69 -0.54 0.00 0.00 174.62 173.85 1bwy s VAL 49 N -3.09 0.93 -0.11 2.29 1.01 0.49 0.65 120.40 122.57 1bwy s VAL 49 Ca 0.31 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1bwy s VAL 49 Cb 0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1bwy s VAL 49 CO 0.13 -0.21 0.56 -0.51 0.00 0.00 0.00 175.10 175.07 1bwy s ILE 50 N 1.66 5.13 -0.10 2.22 2.07 0.01 -0.07 121.20 132.12 1bwy s ILE 50 Ca -0.02 1.12 0.01 0.00 -1.41 0.00 0.00 60.65 60.35 1bwy s ILE 50 Cb -0.18 -3.90 -0.02 0.00 0.13 0.00 0.00 42.46 38.50 1bwy s ILE 50 CO -0.08 0.28 -0.12 -0.51 -1.91 0.00 0.00 174.94 172.59 1bwy s ILE 51 N 0.80 3.16 -0.27 2.00 -1.16 0.01 -0.83 121.20 124.90 1bwy s ILE 51 Ca 0.30 -0.65 0.01 0.00 -0.51 0.00 0.00 60.65 59.80 1bwy s ILE 51 Cb -0.16 -2.30 0.08 0.00 0.61 0.00 0.00 42.46 40.69 1bwy s ILE 51 CO 0.13 0.55 -0.01 -0.54 -2.81 0.00 0.00 174.94 172.26 1bwy s LYS 52 N -0.12 1.48 -0.27 3.50 1.02 0.24 -1.07 119.74 124.52 1bwy s LYS 52 Ca -0.01 -1.24 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 1bwy s LYS 52 Cb -0.14 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1bwy s LYS 52 CO 0.03 -0.74 1.63 0.99 -0.92 0.00 0.00 175.35 176.33 1bwy s THR 53 N 1.29 3.68 -0.06 2.17 2.01 0.96 -1.09 115.64 124.60 1bwy s THR 53 Ca 0.01 0.74 0.06 0.00 0.31 0.00 0.00 61.69 62.81 1bwy s THR 53 Cb -0.19 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1bwy s THR 53 CO -0.10 -0.38 -0.25 -1.10 -0.69 0.00 0.00 174.62 172.10 1bwy s GLN 54 N 4.93 2.56 -0.00 4.92 -0.21 -0.49 -1.12 119.66 130.24 1bwy s GLN 54 Ca 0.72 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1bwy s GLN 54 Cb -0.23 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1bwy s GLN 54 CO 0.30 0.38 0.90 0.45 -2.12 0.00 0.00 175.29 175.20 1bwy n SER 55 N 2.95 0.04 -4.15 5.90 2.88 -1.26 -3.08 113.62 116.90 1bwy n SER 55 Ca -0.17 -1.81 -0.35 0.00 -1.33 0.00 0.00 58.87 55.21 1bwy n SER 55 Cb 0.52 -0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 1bwy n SER 55 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1bwy n THR 56 N -0.02 0.00 -3.00 2.46 5.66 -1.26 -4.85 114.28 113.27 1bwy n THR 56 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1bwy n THR 56 Cb 0.66 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 1bwy n THR 56 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1bwy s PHE 57 N -3.00 -0.52 -1.19 1.09 5.36 -1.26 -4.99 117.98 113.47 1bwy s PHE 57 Ca 0.68 0.21 -0.07 0.00 -0.96 0.00 0.00 56.93 56.78 1bwy s PHE 57 Cb -0.39 0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.36 1bwy s PHE 57 CO 0.83 -0.32 0.80 1.63 -1.46 0.00 0.00 175.22 176.70 1bwy n LYS 58 N 4.52 -3.46 -0.81 10.12 5.02 -1.26 -4.96 118.16 127.33 1bwy n LYS 58 Ca 0.08 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.72 1bwy n LYS 58 Cb 0.60 -5.12 0.17 0.00 -0.02 0.00 0.00 35.03 30.66 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 -3.90 2.78 0.12 4.39 0.01 -1.26 -4.91 114.94 112.16 1bwy s ASN 59 Ca 0.23 1.91 -0.02 0.00 -0.71 0.00 0.00 52.86 54.27 1bwy s ASN 59 Cb -0.06 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1bwy s ASN 59 CO 0.80 -3.14 0.06 0.42 -1.51 0.00 0.00 177.10 173.73 1bwy s THR 60 N -2.68 0.12 -0.00 1.60 -4.23 -0.28 -5.02 115.64 105.15 1bwy s THR 60 Ca 0.66 -1.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.11 1bwy s THR 60 Cb -0.22 -1.90 0.05 0.00 1.34 0.00 0.00 72.50 71.77 1bwy s THR 60 CO 0.59 -0.56 0.53 -1.83 -0.54 0.00 0.00 174.62 172.80 1bwy s GLU 61 N -4.01 0.96 -0.01 3.99 -1.05 -1.26 -0.03 118.70 117.29 1bwy s GLU 61 Ca 0.20 -0.05 -0.03 0.00 -0.15 0.00 0.00 54.97 54.93 1bwy s GLU 61 Cb 0.07 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1bwy s GLU 61 CO -0.01 -0.31 0.07 0.42 0.95 0.00 0.00 175.26 176.38 1bwy s ILE 62 N -1.74 0.04 -0.77 1.83 1.09 -0.23 -4.89 121.20 116.54 1bwy s ILE 62 Ca -0.09 -0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.02 1bwy s ILE 62 Cb -0.01 -0.23 0.20 0.00 -1.06 0.00 0.00 42.46 41.36 1bwy s ILE 62 CO 0.04 -0.20 0.65 -0.94 -0.10 0.00 0.00 174.94 174.39 1bwy s SER 63 N -0.63 6.03 0.58 3.58 1.04 -1.26 -0.81 113.70 122.23 1bwy s SER 63 Ca -0.07 -2.97 -0.20 0.00 0.48 0.00 0.00 55.95 53.18 1bwy s SER 63 Cb -0.04 -2.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 1bwy s SER 63 CO 0.00 -0.41 1.28 -0.36 0.98 0.00 0.00 173.24 174.73 1bwy s PHE 64 N -0.25 2.32 -0.12 5.02 0.40 0.90 -4.85 117.98 121.39 1bwy s PHE 64 Ca 0.20 1.46 -0.01 0.00 -0.60 0.00 0.00 56.93 57.98 1bwy s PHE 64 Cb -0.14 -3.64 0.03 0.00 0.51 0.00 0.00 43.02 39.79 1bwy s PHE 64 CO -0.07 -2.56 -0.03 0.21 0.70 0.00 0.00 175.22 173.47 1bwy s LYS 65 N -3.13 1.05 -0.64 0.44 2.20 -1.26 -0.38 119.74 118.03 1bwy s LYS 65 Ca 0.75 -0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.89 1bwy s LYS 65 Cb -0.35 -1.55 -0.11 0.00 -1.51 0.00 0.00 37.83 34.30 1bwy s LYS 65 CO 0.40 -0.37 2.43 1.47 -0.36 0.00 0.00 175.35 178.92 1bwy n LEU 66 N 5.01 1.85 0.00 5.43 -0.00 -1.26 -2.98 117.00 125.06 1bwy n LEU 66 Ca -0.10 -0.75 0.00 0.00 -0.00 0.00 0.00 56.01 55.17 1bwy n LEU 66 Cb 0.49 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 1bwy n LEU 66 CO 0.14 -1.82 0.00 0.61 -0.00 0.00 0.00 177.39 176.32 1bwy n GLY 67 N 6.26 0.58 3.56 1.47 0.00 0.93 -4.92 105.19 113.08 1bwy n GLY 67 Ca 0.44 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.17 0.00 -0.14 1.61 0.11 -0.63 -5.00 120.40 115.18 1bwy s VAL 68 Ca 0.00 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1bwy s VAL 68 Cb 0.00 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1bwy s VAL 68 CO 0.00 0.00 0.10 -0.70 -3.33 0.00 0.00 175.10 171.17 1bwy s GLU 69 N -3.49 3.58 0.01 1.54 2.12 -1.26 -1.12 118.70 120.07 1bwy s GLU 69 Ca 0.05 -0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.10 1bwy s GLU 69 Cb -0.02 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 1bwy s GLU 69 CO -0.07 0.59 0.09 -0.59 -0.54 0.00 0.00 175.26 174.75 1bwy s PHE 70 N -0.51 0.10 0.17 5.30 -0.71 0.34 -4.98 117.98 117.68 1bwy s PHE 70 Ca 0.11 -0.24 -0.30 0.00 -1.04 0.00 0.00 56.93 55.47 1bwy s PHE 70 Cb -0.12 -0.08 -0.07 0.00 -1.21 0.00 0.00 43.02 41.54 1bwy s PHE 70 CO 0.02 -0.26 0.97 0.34 -1.34 0.00 0.00 175.22 174.95 1bwy s ASP 71 N -1.39 7.52 0.04 1.98 2.15 -1.26 -0.52 116.67 125.18 1bwy s ASP 71 Ca -0.15 1.90 0.00 0.00 0.43 0.00 0.00 52.55 54.73 1bwy s ASP 71 Cb -0.08 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1bwy s ASP 71 CO 0.01 -0.01 -0.04 -0.70 -0.17 0.00 0.00 175.17 174.27 1bwy s GLU 72 N -0.51 0.46 -0.50 4.34 2.56 0.42 -4.87 118.70 120.59 1bwy s GLU 72 Ca 0.45 -0.85 0.07 0.00 0.00 0.00 0.00 54.97 54.64 1bwy s GLU 72 Cb -0.25 0.07 0.26 0.00 2.00 0.00 0.00 34.13 36.22 1bwy s GLU 72 CO 0.32 -0.05 0.66 2.41 -0.56 0.00 0.00 175.26 178.03 1bwy n THR 73 N 1.04 0.83 -2.99 -1.70 -1.04 -1.26 -0.68 114.28 108.47 1bwy n THR 73 Ca -0.20 -4.65 -0.37 0.00 -2.04 0.00 0.00 64.05 56.79 1bwy n THR 73 Cb 0.57 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.17 1bwy n THR 73 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1bwy s THR 74 N -2.02 4.43 0.00 12.58 -1.32 -1.02 -4.90 115.64 123.39 1bwy s THR 74 Ca 0.38 1.51 -0.00 0.00 -1.21 0.00 0.00 61.69 62.37 1bwy s THR 74 Cb 0.18 -3.95 -0.01 0.00 -1.51 0.00 0.00 72.50 67.22 1bwy s THR 74 CO -0.07 0.24 1.84 0.00 -2.21 0.00 0.00 174.62 174.42 1bwy n ALA 75 N 0.82 3.81 -0.53 11.08 0.00 -1.26 -1.86 120.51 132.57 1bwy n ALA 75 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1bwy n ALA 75 Cb 0.50 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.57 0.00 0.24 0.00 5.75 -1.26 -4.89 116.55 117.96 1bwy n ASP 76 Ca 0.01 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.92 1bwy n ASP 76 Cb 0.46 0.22 0.77 0.00 -1.03 0.00 0.00 41.12 41.55 1bwy n ASP 76 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1bwy h ASP 77 N 0.00 0.00 0.00 -1.12 1.82 -1.99 -3.46 116.42 111.67 1bwy h ASP 77 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1bwy h ASP 77 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1bwy h ASP 77 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.17 1bwy n ARG 78 N -4.16 0.00 -2.70 0.28 1.74 -0.77 -4.79 116.66 106.25 1bwy n ARG 78 Ca -0.01 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.64 1bwy n ARG 78 Cb 0.17 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.59 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 4.03 0.32 5.56 2.20 -1.26 -2.44 119.74 128.16 1bwy s LYS 79 Ca 0.00 0.95 0.05 0.00 -0.36 0.00 0.00 55.97 56.62 1bwy s LYS 79 Cb 0.00 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1bwy s LYS 79 CO 0.00 -0.87 0.23 0.14 -0.36 0.00 0.00 175.35 174.49 1bwy s VAL 80 N 3.53 0.12 -0.18 4.02 -7.23 0.14 -4.93 120.40 115.86 1bwy s VAL 80 Ca 0.43 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1bwy s VAL 80 Cb -0.12 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1bwy s VAL 80 CO 0.15 0.00 0.00 -0.54 -0.31 0.00 0.00 175.10 174.40 1bwy s LYS 81 N -3.60 3.74 -0.17 4.82 1.02 0.02 -0.44 119.74 125.13 1bwy s LYS 81 Ca 0.38 -0.47 -0.19 0.00 0.02 0.00 0.00 55.97 55.70 1bwy s LYS 81 Cb 0.03 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1bwy s LYS 81 CO 0.23 0.18 0.54 -1.12 -0.92 0.00 0.00 175.35 174.26 1bwy s SER 82 N 0.57 6.65 -0.12 2.83 0.01 0.32 -0.23 113.70 123.72 1bwy s SER 82 Ca -0.01 0.78 0.02 0.00 1.31 0.00 0.00 55.95 58.05 1bwy s SER 82 Cb -0.14 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.79 1bwy s SER 82 CO 0.02 -0.14 -0.19 -0.51 0.41 0.00 0.00 173.24 172.83 1bwy s ILE 83 N 1.34 1.80 0.03 1.44 -1.16 0.04 -0.50 121.20 124.19 1bwy s ILE 83 Ca 0.26 -0.82 0.04 0.00 -0.51 0.00 0.00 60.65 59.62 1bwy s ILE 83 Cb -0.16 -1.61 -0.02 0.00 0.61 0.00 0.00 42.46 41.29 1bwy s ILE 83 CO 0.10 0.50 -0.12 0.54 -2.81 0.00 0.00 174.94 173.15 1bwy s VAL 84 N 0.89 0.94 0.08 4.00 0.11 -0.27 -0.27 120.40 125.87 1bwy s VAL 84 Ca -0.07 -0.89 -0.06 0.00 -2.93 0.00 0.00 61.98 58.03 1bwy s VAL 84 Cb -0.15 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1bwy s VAL 84 CO -0.02 -0.02 0.12 0.42 -3.33 0.00 0.00 175.10 172.27 1bwy s THR 85 N -0.81 0.16 -0.40 5.04 -4.23 -0.23 -0.05 115.64 115.12 1bwy s THR 85 Ca 0.00 -1.42 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1bwy s THR 85 Cb -0.07 -1.45 0.22 0.00 1.34 0.00 0.00 72.50 72.54 1bwy s THR 85 CO 0.01 -0.73 0.47 -0.11 -0.54 0.00 0.00 174.62 173.72 1bwy n LEU 86 N -0.02 -0.21 0.00 4.79 0.00 -1.25 -1.99 117.00 118.32 1bwy n LEU 86 Ca -0.14 -4.51 0.00 0.00 0.00 0.00 0.00 56.01 51.36 1bwy n LEU 86 Cb 0.62 0.62 0.00 0.00 0.00 0.00 0.00 43.42 44.66 1bwy n LEU 86 CO 0.25 1.99 0.00 -0.90 0.00 0.00 0.00 177.39 178.73 1bwy n ASP 87 N 1.94 0.00 0.00 1.96 5.68 0.47 -4.88 116.55 121.72 1bwy n ASP 87 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 1bwy n ASP 87 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 -0.18 1.04 2.38 6.12 0.00 -1.26 -3.50 105.19 109.79 1bwy n GLY 88 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1bwy n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwy n GLY 89 N 0.00 3.21 7.00 -0.02 0.00 -1.26 -5.10 105.19 109.02 1bwy n GLY 89 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1bwy n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bwy n LYS 90 N 0.13 0.00 -2.59 1.61 4.81 -1.23 -4.09 118.16 116.80 1bwy n LYS 90 Ca 0.21 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.22 1bwy n LYS 90 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 1bwy n LYS 90 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1bwy n LEU 91 N 0.00 5.13 -4.61 3.14 7.94 -1.00 -0.39 117.00 127.21 1bwy n LEU 91 Ca 0.00 -4.04 -0.43 0.00 -1.11 0.00 0.00 56.01 50.43 1bwy n LEU 91 Cb 0.00 -1.72 -0.02 0.00 0.53 0.00 0.00 43.42 42.21 1bwy n LEU 91 CO 0.00 0.33 0.99 0.68 -1.11 0.00 0.00 177.39 178.28 1bwy s VAL 92 N 3.63 4.29 -0.23 1.96 -7.23 -0.84 -0.57 120.40 121.42 1bwy s VAL 92 Ca 0.51 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.99 1bwy s VAL 92 Cb 0.03 -4.55 0.03 0.00 0.56 0.00 0.00 36.38 32.45 1bwy s VAL 92 CO 0.06 -0.88 -0.12 -2.28 -0.31 0.00 0.00 175.10 171.56 1bwy s HIS 93 N 4.23 3.01 0.18 2.82 5.04 -1.17 -1.07 115.29 128.33 1bwy s HIS 93 Ca 0.47 -1.76 -0.06 0.00 -1.54 0.00 0.00 55.06 52.17 1bwy s HIS 93 Cb -0.08 -1.98 -0.06 0.00 0.04 0.00 0.00 32.58 30.50 1bwy s HIS 93 CO 0.28 -0.79 0.43 0.08 -2.34 0.00 0.00 174.74 172.40 1bwy s VAL 94 N 1.26 5.10 -0.36 0.89 1.01 0.62 -0.76 120.40 128.17 1bwy s VAL 94 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1bwy s VAL 94 Cb -0.16 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.69 1bwy s VAL 94 CO -0.08 -0.04 0.15 -1.58 0.00 0.00 0.00 175.10 173.56 1bwy s GLN 95 N -2.83 0.89 -0.24 2.72 2.00 0.70 -0.78 119.66 122.11 1bwy s GLN 95 Ca 0.43 -1.40 -0.03 0.00 -2.00 0.00 0.00 55.36 52.35 1bwy s GLN 95 Cb -0.12 -2.05 0.01 0.00 0.80 0.00 0.00 33.01 31.65 1bwy s GLN 95 CO 0.25 -1.06 -0.03 0.21 -0.50 0.00 0.00 175.29 174.16 1bwy s LYS 96 N 1.16 3.10 0.00 1.67 2.20 0.68 -0.67 119.74 127.88 1bwy s LYS 96 Ca 0.13 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1bwy s LYS 96 Cb -0.20 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1bwy s LYS 96 CO -0.15 -0.32 0.00 -2.67 -0.36 0.00 0.00 175.35 171.85 1bwy n TRP 97 N 4.76 0.00 0.00 4.03 2.14 -1.17 -0.80 117.44 126.40 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 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.99 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 0.00 0.00 0.15 -0.67 6.94 -1.26 -4.76 115.26 115.66 1bwy n ASN 98 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 1bwy n ASN 98 Cb 0.00 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.52 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 -1.89 4.83 0.00 -2.03 -3.46 103.07 100.52 1bwy h GLY 99 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1bwy h GLY 99 CO 0.00 0.00 -0.46 -1.06 0.00 0.00 0.00 176.54 175.02 1bwy n GLN 100 N -3.32 0.43 -3.77 4.80 3.00 -1.26 -5.18 117.38 112.09 1bwy n GLN 100 Ca 0.01 -3.36 -0.11 0.00 -0.01 0.00 0.00 57.00 53.53 1bwy n GLN 100 Cb 0.69 2.79 -0.07 0.00 0.00 0.00 0.00 30.24 33.65 1bwy n GLN 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1bwy s GLU 101 N -3.35 0.84 0.15 -1.09 2.12 -1.26 -3.02 118.70 113.09 1bwy s GLU 101 Ca 0.40 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 55.14 1bwy s GLU 101 Cb 0.02 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 1bwy s GLU 101 CO 0.28 -0.28 -0.15 -0.08 -0.54 0.00 0.00 175.26 174.50 1bwy s THR 102 N -3.05 1.53 0.14 -1.70 -1.32 0.16 -2.98 115.64 108.42 1bwy s THR 102 Ca -0.01 -1.87 -0.04 0.00 -1.21 0.00 0.00 61.69 58.56 1bwy s THR 102 Cb 0.01 -1.72 -0.05 0.00 -1.51 0.00 0.00 72.50 69.23 1bwy s THR 102 CO -0.07 -0.43 0.36 -0.94 -2.21 0.00 0.00 174.62 171.33 1bwy s SER 103 N -2.68 6.46 -0.28 8.08 1.04 0.27 -0.22 113.70 126.37 1bwy s SER 103 Ca 0.13 0.53 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1bwy s SER 103 Cb -0.04 -2.06 0.16 0.00 0.10 0.00 0.00 66.02 64.17 1bwy s SER 103 CO 0.04 0.05 0.40 -1.48 0.98 0.00 0.00 173.24 173.24 1bwy s LEU 104 N -2.75 -0.75 -0.16 2.42 0.05 0.06 -1.51 118.68 116.04 1bwy s LEU 104 Ca 0.40 -0.29 -0.04 0.00 0.05 0.00 0.00 54.13 54.25 1bwy s LEU 104 Cb -0.12 1.10 -0.03 0.00 -2.05 0.00 0.00 46.19 45.09 1bwy s LEU 104 CO 0.26 -0.35 -0.03 0.68 -0.55 0.00 0.00 176.35 176.36 1bwy s VAL 105 N 2.54 3.91 -0.62 1.48 -7.23 -0.03 -3.05 120.40 117.40 1bwy s VAL 105 Ca 0.10 -0.35 -0.19 0.00 -1.81 0.00 0.00 61.98 59.74 1bwy s VAL 105 Cb -0.13 -2.72 0.11 0.00 0.56 0.00 0.00 36.38 34.19 1bwy s VAL 105 CO -0.28 0.48 0.74 -0.13 -0.31 0.00 0.00 175.10 175.60 1bwy s ARG 106 N 0.49 3.09 -0.02 4.82 0.52 0.26 -1.80 118.95 126.31 1bwy s ARG 106 Ca -0.03 -1.35 -0.07 0.00 -0.52 0.00 0.00 55.73 53.76 1bwy s ARG 106 Cb -0.14 -4.30 -0.05 0.00 0.52 0.00 0.00 34.95 30.98 1bwy s ARG 106 CO 0.03 -1.56 0.25 -2.00 0.02 0.00 0.00 175.30 172.03 1bwy s GLU 107 N 2.69 3.56 -0.06 3.54 2.56 -0.34 -2.36 118.70 128.29 1bwy s GLU 107 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.97 55.01 1bwy s GLU 107 Cb -0.22 -3.11 0.03 0.00 2.00 0.00 0.00 34.13 32.83 1bwy s GLU 107 CO 0.05 0.68 0.02 1.41 -0.56 0.00 0.00 175.26 176.86 1bwy s MET 108 N -1.61 0.36 0.00 4.30 -2.45 -1.26 0.25 119.30 118.90 1bwy s MET 108 Ca 0.25 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.90 1bwy s MET 108 Cb -0.13 -0.81 0.00 0.00 1.25 0.00 0.00 34.83 35.14 1bwy s MET 108 CO 0.14 -0.31 0.00 1.33 1.05 0.00 0.00 175.02 177.23 1bwy n VAL 109 N 5.20 0.00 0.00 10.11 0.24 -1.22 -5.00 118.33 127.66 1bwy n VAL 109 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1bwy n VAL 109 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.44 0.00 -0.81 -1.34 2.03 -1.26 -2.22 116.55 111.51 1bwy n ASP 110 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 1bwy n ASP 110 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 1.03 2.89 0.27 0.00 -1.26 -5.07 105.19 103.06 1bwy n GLY 111 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.25 0.84 -0.56 1.61 1.02 -0.94 -4.34 119.74 117.13 1bwy s LYS 112 Ca 0.14 -0.11 -0.23 0.00 0.02 0.00 0.00 55.97 55.79 1bwy s LYS 112 Cb 0.15 -0.85 0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1bwy s LYS 112 CO -0.06 -0.08 0.90 -1.17 -0.92 0.00 0.00 175.35 174.02 1bwy s LEU 113 N 0.91 4.26 -0.64 3.17 0.20 0.57 -3.41 118.68 123.75 1bwy s LEU 113 Ca -0.11 -0.51 -0.26 0.00 0.69 0.00 0.00 54.13 53.94 1bwy s LEU 113 Cb -0.14 -2.73 0.04 0.00 -0.43 0.00 0.00 46.19 42.93 1bwy s LEU 113 CO 0.00 -1.20 1.15 -0.63 -0.29 0.00 0.00 176.35 175.38 1bwy s ILE 114 N 3.77 4.01 -0.61 6.68 1.01 0.14 -0.63 121.20 135.57 1bwy s ILE 114 Ca 0.27 0.48 -0.21 0.00 0.00 0.00 0.00 60.65 61.19 1bwy s ILE 114 Cb -0.14 -4.76 0.08 0.00 0.01 0.00 0.00 42.46 37.65 1bwy s ILE 114 CO 0.17 -1.50 0.83 -0.22 0.00 0.00 0.00 174.94 174.23 1bwy s LEU 115 N 4.95 4.76 -0.18 2.97 1.98 0.47 -1.20 118.68 132.43 1bwy s LEU 115 Ca 0.36 -1.07 -0.10 0.00 -2.89 0.00 0.00 54.13 50.42 1bwy s LEU 115 Cb -0.10 -2.42 -0.05 0.00 0.66 0.00 0.00 46.19 44.28 1bwy s LEU 115 CO 0.19 -1.25 0.16 0.28 -1.89 0.00 0.00 176.35 173.84 1bwy s THR 116 N 3.42 5.40 -0.10 3.68 -1.32 -0.75 -0.57 115.64 125.41 1bwy s THR 116 Ca 0.18 0.26 0.02 0.00 -1.21 0.00 0.00 61.69 60.94 1bwy s THR 116 Cb -0.19 -3.49 0.01 0.00 -1.51 0.00 0.00 72.50 67.32 1bwy s THR 116 CO 0.10 0.45 -0.14 -1.48 -2.21 0.00 0.00 174.62 171.34 1bwy s LEU 117 N 0.25 1.65 -0.16 9.08 2.34 0.38 -0.85 118.68 131.36 1bwy s LEU 117 Ca 0.10 -0.38 -0.01 0.00 0.06 0.00 0.00 54.13 53.90 1bwy s LEU 117 Cb -0.11 -0.99 0.05 0.00 -0.56 0.00 0.00 46.19 44.57 1bwy s LEU 117 CO -0.00 0.01 -0.01 -0.89 -1.06 0.00 0.00 176.35 174.39 1bwy s THR 118 N 0.95 0.80 0.04 5.48 2.01 -0.57 -0.58 115.64 123.78 1bwy s THR 118 Ca -0.08 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1bwy s THR 118 Cb -0.15 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1bwy s THR 118 CO -0.00 0.02 0.28 -2.28 -0.69 0.00 0.00 174.62 171.95 1bwy s HIS 119 N 1.76 3.55 -0.77 4.92 5.04 0.41 -0.56 115.29 129.63 1bwy s HIS 119 Ca 0.01 0.51 -0.24 0.00 -1.54 0.00 0.00 55.06 53.79 1bwy s HIS 119 Cb -0.16 -1.95 -0.15 0.00 0.04 0.00 0.00 32.58 30.36 1bwy s HIS 119 CO -0.07 0.57 2.40 0.41 -2.34 0.00 0.00 174.74 175.71 1bwy n GLY 120 N 0.77 -0.14 0.00 1.59 0.00 -1.16 -0.80 105.19 105.44 1bwy n GLY 120 Ca -0.08 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1bwy n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwy n THR 121 N 8.24 0.00 -3.77 2.61 -1.04 -1.26 -4.98 114.28 114.08 1bwy n THR 121 Ca 0.48 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.38 1bwy n THR 121 Cb 0.40 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bwy s ALA 122 N -0.29 -0.65 0.03 2.41 0.00 0.02 -5.12 121.76 118.15 1bwy s ALA 122 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.06 1bwy s ALA 122 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1bwy s ALA 122 CO 0.00 -0.37 -0.20 0.08 0.00 0.00 0.00 175.76 175.27 1bwy s VAL 123 N -2.24 1.63 0.12 0.00 1.01 -1.26 -0.45 120.40 119.21 1bwy s VAL 123 Ca -0.07 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 1bwy s VAL 123 Cb -0.02 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 35.02 1bwy s VAL 123 CO -0.02 0.26 0.57 0.00 0.00 0.00 0.00 175.10 175.91 1bwy s THR 125 N -3.39 1.74 -0.09 0.00 -1.32 -1.24 -0.47 115.64 110.86 1bwy s THR 125 Ca -0.00 -2.08 0.04 0.00 -1.21 0.00 0.00 61.69 58.43 1bwy s THR 125 Cb -0.00 -1.94 -0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1bwy s THR 125 CO -0.10 -0.49 -0.23 -0.13 -2.21 0.00 0.00 174.62 171.46 1bwy s ARG 126 N -3.29 2.99 -0.20 7.08 0.52 0.27 -3.65 118.95 122.67 1bwy s ARG 126 Ca 0.19 -0.87 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1bwy s ARG 126 Cb -0.03 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 1bwy s ARG 126 CO 0.07 0.22 -0.01 0.99 0.02 0.00 0.00 175.30 176.59 1bwy s THR 127 N 0.25 3.91 0.18 0.02 2.01 0.59 -0.39 115.64 122.21 1bwy s THR 127 Ca -0.16 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.59 1bwy s THR 127 Cb -0.17 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1bwy s THR 127 CO 0.08 0.43 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.08 1bwy s TYR 128 N 0.96 2.72 -0.04 4.92 2.02 0.19 -0.79 117.35 127.34 1bwy s TYR 128 Ca 0.01 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1bwy s TYR 128 Cb -0.14 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 1bwy s TYR 128 CO 0.02 0.52 -0.23 -1.21 -1.57 0.00 0.00 175.55 173.07 1bwy s GLU 129 N -2.88 2.14 -0.05 -0.62 2.02 0.35 -0.31 118.70 119.35 1bwy s GLU 129 Ca 0.26 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 1bwy s GLU 129 Cb -0.09 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1bwy s GLU 129 CO 0.17 0.40 1.20 0.21 0.02 0.00 0.00 175.26 177.26 1bwy s LYS 130 N -0.27 4.35 0.00 1.61 2.20 -1.26 -0.63 119.74 125.75 1bwy s LYS 130 Ca 0.01 1.68 0.13 0.00 -0.36 0.00 0.00 55.97 57.43 1bwy s LYS 130 Cb -0.11 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1bwy s LYS 130 CO 0.02 -0.44 0.78 0.00 -0.36 0.00 0.00 175.35 175.34 1bwy n GLN 131 N 5.16 1.74 -0.49 4.03 10.64 0.31 -4.92 117.38 133.85 1bwy n GLN 131 Ca 0.11 -0.80 0.00 0.00 -1.83 0.00 0.00 57.00 54.48 1bwy n GLN 131 Cb 0.46 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.64 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23