#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 2.55 0.00 6.55 9.92 -1.26 -0.97 116.55 133.35 1bwy n ASP 2 Ca 0.00 -2.32 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1bwy n ASP 2 Cb 0.00 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 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 5.67 0.00 -0.27 2.24 0.00 -1.26 -4.96 120.51 121.92 1bwy n ALA 3 Ca 0.33 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.80 1bwy n ALA 3 Cb 0.18 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.79 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 0.77 -0.14 0.00 0.04 -1.44 -3.43 116.94 112.74 1bwy h PHE 4 Ca 0.00 0.03 -0.75 0.00 2.80 0.00 0.00 57.97 60.05 1bwy h PHE 4 Cb 0.00 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.89 1bwy h PHE 4 CO 0.00 0.29 1.34 0.28 -0.60 0.00 0.00 178.31 179.62 1bwy n VAL 5 N -4.80 0.02 0.00 -0.55 0.31 -1.26 -4.63 118.33 107.43 1bwy n VAL 5 Ca 0.13 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1bwy n VAL 5 Cb 0.28 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 6 N 7.37 0.82 3.65 2.92 0.00 0.06 -5.01 105.19 115.00 1bwy n GLY 6 Ca 0.53 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.63 5.06 0.20 2.61 2.01 -1.26 -0.72 115.64 121.90 1bwy s THR 7 Ca 0.00 1.01 0.07 0.00 0.31 0.00 0.00 61.69 63.08 1bwy s THR 7 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1bwy s THR 7 CO 0.00 0.12 0.09 0.26 -0.69 0.00 0.00 174.62 174.40 1bwy s TRP 8 N 1.98 2.98 -0.02 4.92 0.52 0.99 -0.57 118.94 129.74 1bwy s TRP 8 Ca 0.25 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.25 1bwy s TRP 8 Cb -0.16 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 1bwy s TRP 8 CO 0.09 0.53 0.05 0.21 0.02 0.00 0.00 176.95 177.86 1bwy s LYS 9 N -3.28 0.03 0.56 4.98 2.36 0.09 -0.46 119.74 124.02 1bwy s LYS 9 Ca 0.30 0.14 -0.20 0.00 -2.55 0.00 0.00 55.97 53.65 1bwy s LYS 9 Cb -0.09 -0.08 -0.04 0.00 -1.05 0.00 0.00 37.83 36.56 1bwy s LYS 9 CO 0.22 -0.08 1.27 -1.17 1.55 0.00 0.00 175.35 177.15 1bwy s LEU 10 N 0.48 3.78 0.00 5.43 0.20 -1.18 -0.67 118.68 126.72 1bwy s LEU 10 Ca -0.04 2.56 0.00 0.00 0.69 0.00 0.00 54.13 57.34 1bwy s LEU 10 Cb -0.06 -4.42 0.00 0.00 -0.43 0.00 0.00 46.19 41.28 1bwy s LEU 10 CO -0.02 -1.55 0.00 0.55 -0.29 0.00 0.00 176.35 175.04 1bwy n VAL 11 N -1.25 0.00 -3.87 1.68 3.14 0.19 -4.83 118.33 113.38 1bwy n VAL 11 Ca 0.12 -0.07 -0.10 0.00 -2.96 0.00 0.00 64.34 61.33 1bwy n VAL 11 Cb 0.47 0.56 -0.08 0.00 -1.06 0.00 0.00 33.84 33.73 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 -0.40 0.09 -0.29 6.55 2.15 -1.07 -4.96 116.67 118.74 1bwy s ASP 12 Ca 0.00 -0.47 -0.20 0.00 0.43 0.00 0.00 52.55 52.31 1bwy s ASP 12 Cb 0.00 0.28 0.17 0.00 -0.30 0.00 0.00 42.92 43.07 1bwy s ASP 12 CO 0.00 -0.58 1.18 -0.55 -0.17 0.00 0.00 175.17 175.06 1bwy s SER 13 N -2.25 -0.26 0.21 -0.34 0.15 -1.26 -1.12 113.70 108.83 1bwy s SER 13 Ca -0.03 0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.93 1bwy s SER 13 Cb 0.00 0.81 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1bwy s SER 13 CO -0.05 -0.07 0.46 -1.59 1.20 0.00 0.00 173.24 173.19 1bwy s LYS 14 N 0.71 1.40 -0.43 5.44 -2.85 -1.06 -4.95 119.74 118.00 1bwy s LYS 14 Ca -0.02 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1bwy s LYS 14 Cb -0.04 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1bwy s LYS 14 CO -0.12 -0.58 0.00 0.09 0.10 0.00 0.00 175.35 174.84 1bwy n ASN 15 N -0.33 -5.40 0.05 0.03 3.02 -1.26 -4.06 115.26 107.31 1bwy n ASN 15 Ca -0.06 0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.46 1bwy n ASN 15 Cb 0.62 -3.25 -0.09 0.00 -0.61 0.00 0.00 39.78 36.45 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 -0.16 -0.30 3.10 3.57 -1.91 0.12 116.94 121.37 1bwy h PHE 16 Ca -0.08 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.48 1bwy h PHE 16 Cb 0.90 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1bwy h PHE 16 CO 0.52 0.25 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.29 1bwy h ASP 17 N -0.62 -0.41 -0.86 0.41 5.19 -1.90 -2.69 116.42 115.54 1bwy h ASP 17 Ca -0.02 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1bwy h ASP 17 Cb 0.48 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 1bwy h ASP 17 CO 0.03 -0.15 0.46 -0.78 -3.12 0.00 0.00 179.24 175.68 1bwy h ASP 18 N -0.06 1.09 -0.65 6.45 3.58 -1.92 -2.09 116.42 122.82 1bwy h ASP 18 Ca 0.15 -0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.63 1bwy h ASP 18 Cb 0.29 -0.28 -0.12 0.00 1.72 0.00 0.00 39.33 40.95 1bwy h ASP 18 CO -0.34 0.88 -0.12 0.22 -2.88 0.00 0.00 179.24 176.99 1bwy h TYR 19 N 1.21 -0.28 0.00 0.28 3.20 -0.41 0.34 116.97 121.32 1bwy h TYR 19 Ca 0.30 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.20 1bwy h TYR 19 Cb 0.04 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1bwy h TYR 19 CO 0.01 -0.26 -0.16 1.98 -1.64 0.00 0.00 178.16 178.09 1bwy h MET 20 N 0.02 0.00 -3.21 1.82 4.05 -1.27 -3.08 114.93 113.26 1bwy h MET 20 Ca 0.32 0.00 -0.43 0.00 -0.28 0.00 0.00 59.70 59.31 1bwy h MET 20 Cb 0.50 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1bwy h MET 20 CO -0.65 0.16 2.66 1.17 0.23 0.00 0.00 176.91 180.48 1bwy n LYS 21 N -4.15 2.43 0.00 0.39 4.81 0.12 -0.46 118.16 121.30 1bwy n LYS 21 Ca -0.02 -1.57 0.00 0.00 -0.87 0.00 0.00 58.31 55.85 1bwy n LYS 21 Cb 0.23 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 3.88 0.00 -0.05 3.14 3.41 -1.25 -4.96 113.62 117.79 1bwy n SER 22 Ca 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1bwy n SER 22 Cb 0.21 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.59 0.00 1.04 5.85 -1.33 -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 58.63 1bwy h LEU 23 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1bwy h LEU 23 CO 0.00 0.58 0.00 0.61 -0.34 0.00 0.00 178.44 179.29 1bwy n GLY 24 N -1.00 2.22 1.70 3.75 0.00 0.39 -4.96 105.19 107.28 1bwy n GLY 24 Ca 0.03 0.00 -0.02 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 -2.00 1.79 -2.10 1.61 0.24 -1.26 -4.78 118.33 111.83 1bwy n VAL 25 Ca 0.00 -0.57 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 1bwy n VAL 25 Cb 0.00 -1.51 -0.02 0.00 -1.47 0.00 0.00 33.84 30.84 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bwy n GLY 26 N 1.80 -4.02 0.26 7.63 0.00 -1.26 -4.52 105.19 105.07 1bwy n GLY 26 Ca 0.07 0.59 0.18 0.00 0.00 0.00 0.00 46.02 46.85 1bwy n GLY 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1bwy h PHE 27 N 2.00 0.00 -0.89 1.61 -0.00 -1.92 -2.76 116.94 114.98 1bwy h PHE 27 Ca -0.21 0.00 0.14 0.00 -0.00 0.00 0.00 57.97 57.91 1bwy h PHE 27 Cb 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.27 1bwy h PHE 27 CO 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 178.31 177.95 1bwy h ALA 28 N 2.03 0.15 -0.06 12.09 0.00 -2.00 0.22 119.26 131.69 1bwy h ALA 28 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1bwy h ALA 28 Cb 0.12 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1bwy h ALA 28 CO 0.00 -0.62 -0.28 1.15 0.00 0.00 0.00 179.25 179.51 1bwy h THR 29 N -0.04 1.23 -0.49 0.00 2.02 -1.80 -1.07 112.91 112.75 1bwy h THR 29 Ca 0.33 -1.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 1bwy h THR 29 Cb 0.59 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1bwy h THR 29 CO -0.91 0.32 -0.13 0.03 0.37 0.00 0.00 175.52 175.19 1bwy h ARG 30 N 0.10 0.94 0.70 6.66 -0.00 -0.93 0.11 114.38 121.96 1bwy h ARG 30 Ca 0.01 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.98 59.12 1bwy h ARG 30 Cb 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.46 1bwy h ARG 30 CO 0.04 1.01 -0.41 1.96 0.00 0.00 0.00 179.97 182.57 1bwy h GLN 31 N 0.83 -1.00 -0.46 0.04 1.08 0.55 0.53 115.11 116.68 1bwy h GLN 31 Ca 0.13 0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.42 1bwy h GLN 31 Cb 0.68 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 1bwy h GLN 31 CO 0.05 -0.67 0.27 -0.24 -0.95 0.00 0.00 178.83 177.29 1bwy h VAL 32 N -1.04 1.03 0.00 -0.54 3.04 -1.39 0.56 116.25 117.91 1bwy h VAL 32 Ca -0.09 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1bwy h VAL 32 Cb 0.83 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1bwy h VAL 32 CO 0.11 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.37 1bwy n GLY 33 N -1.23 -1.26 0.10 3.17 0.00 0.38 -0.85 105.19 105.50 1bwy n GLY 33 Ca 0.03 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.15 1.99 -0.08 1.61 0.23 0.18 -4.69 115.26 112.36 1bwy n ASN 34 Ca 0.02 -0.09 -0.22 0.00 -0.53 0.00 0.00 54.58 53.76 1bwy n ASN 34 Cb 0.23 -0.09 -0.12 0.00 -2.08 0.00 0.00 39.78 37.72 1bwy n ASN 34 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1bwy n MET 35 N -3.04 0.62 -3.30 -3.83 1.56 0.15 -4.82 117.12 104.46 1bwy n MET 35 Ca -0.37 0.48 -0.47 0.00 -0.27 0.00 0.00 57.70 57.08 1bwy n MET 35 Cb 0.94 -1.72 -0.02 0.00 2.15 0.00 0.00 33.22 34.56 1bwy n MET 35 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1bwy s THR 36 N -2.42 5.51 0.00 1.12 2.01 -0.03 -4.84 115.64 116.99 1bwy s THR 36 Ca -0.28 -2.32 0.00 0.00 0.31 0.00 0.00 61.69 59.40 1bwy s THR 36 Cb 0.07 -4.48 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1bwy s THR 36 CO 0.63 -1.05 0.00 0.29 -0.69 0.00 0.00 174.62 173.80 1bwy n LYS 37 N 4.28 0.00 -1.96 4.92 4.01 -1.26 -4.62 118.16 123.52 1bwy n LYS 37 Ca 0.12 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.63 1bwy n LYS 37 Cb 0.47 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.94 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1bwy s PRO 38 N -0.32 2.45 0.28 1.97 0.04 -1.26 -4.73 135.00 133.42 1bwy s PRO 38 Ca 0.00 0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 1bwy s PRO 38 Cb 0.00 -4.80 -0.07 0.00 0.04 0.00 0.00 34.50 29.67 1bwy s PRO 38 CO 0.00 -3.29 0.62 0.99 0.04 0.00 0.00 177.00 175.36 1bwy s THR 39 N 10.42 4.86 -0.01 1.26 2.01 -1.11 -3.08 115.64 129.98 1bwy s THR 39 Ca 0.73 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 1bwy s THR 39 Cb -0.10 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1bwy s THR 39 CO 0.08 -0.17 0.03 -0.89 -0.69 0.00 0.00 174.62 172.98 1bwy s THR 40 N -1.95 0.01 -0.07 -0.82 2.01 0.39 -2.92 115.64 112.29 1bwy s THR 40 Ca 0.49 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1bwy s THR 40 Cb -0.11 -0.08 -0.00 0.00 0.01 0.00 0.00 72.50 72.32 1bwy s THR 40 CO 0.22 -0.04 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.37 1bwy s ILE 41 N -0.11 1.95 -0.25 1.82 -1.16 -0.27 -0.01 121.20 123.18 1bwy s ILE 41 Ca -0.01 -0.98 -0.00 0.00 -0.51 0.00 0.00 60.65 59.14 1bwy s ILE 41 Cb -0.01 -1.67 0.07 0.00 0.61 0.00 0.00 42.46 41.46 1bwy s ILE 41 CO -0.00 0.54 -0.00 -0.63 -2.81 0.00 0.00 174.94 172.04 1bwy s ILE 42 N 0.11 1.27 -0.35 2.00 1.01 0.10 -0.69 121.20 124.64 1bwy s ILE 42 Ca -0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 1bwy s ILE 42 Cb -0.15 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.70 1bwy s ILE 42 CO 0.06 -0.26 0.11 -1.61 0.00 0.00 0.00 174.94 173.24 1bwy s GLU 43 N 1.49 2.40 -0.33 2.79 2.02 0.42 -0.76 118.70 126.74 1bwy s GLU 43 Ca -0.01 -1.39 -0.28 0.00 0.02 0.00 0.00 54.97 53.31 1bwy s GLU 43 Cb -0.18 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 1bwy s GLU 43 CO -0.10 -0.78 1.86 0.54 0.02 0.00 0.00 175.26 176.81 1bwy s VAL 44 N 1.29 3.41 -1.21 2.63 0.11 -1.26 -1.17 120.40 124.20 1bwy s VAL 44 Ca -0.00 0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1bwy s VAL 44 Cb -0.21 -3.57 0.21 0.00 -1.53 0.00 0.00 36.38 31.29 1bwy s VAL 44 CO -0.00 -0.38 1.93 0.59 -3.33 0.00 0.00 175.10 173.91 1bwy n ASN 45 N 10.64 6.62 0.00 3.54 3.02 0.12 -4.91 115.26 134.29 1bwy n ASN 45 Ca 0.24 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1bwy n ASN 45 Cb 0.47 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bwy n GLY 46 N 1.67 0.74 0.18 7.41 0.00 -1.26 -1.34 105.19 112.60 1bwy n GLY 46 Ca 0.44 0.54 0.05 0.00 0.00 0.00 0.00 46.02 47.06 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 3.37 1.07 -4.96 1.61 5.75 -1.26 -4.96 116.55 117.18 1bwy n ASP 47 Ca 0.00 -1.04 -0.18 0.00 -0.01 0.00 0.00 54.79 53.56 1bwy n ASP 47 Cb 0.00 0.61 -0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1bwy n ASP 47 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1bwy s THR 48 N -1.60 3.01 -0.12 2.12 -4.23 -0.45 -4.15 115.64 110.22 1bwy s THR 48 Ca 0.08 -1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1bwy s THR 48 Cb 0.09 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1bwy s THR 48 CO 0.32 -0.02 0.19 0.54 -0.54 0.00 0.00 174.62 175.11 1bwy s VAL 49 N -2.37 -0.30 -0.03 2.29 0.11 0.48 0.10 120.40 120.68 1bwy s VAL 49 Ca 0.52 0.21 -0.21 0.00 -2.93 0.00 0.00 61.98 59.56 1bwy s VAL 49 Cb -0.08 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1bwy s VAL 49 CO 0.31 0.04 0.62 -0.63 -3.33 0.00 0.00 175.10 172.11 1bwy s ILE 50 N 2.32 4.97 -0.09 7.04 1.01 -0.32 -0.81 121.20 135.32 1bwy s ILE 50 Ca 0.04 1.29 0.03 0.00 0.00 0.00 0.00 60.65 62.00 1bwy s ILE 50 Cb -0.13 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1bwy s ILE 50 CO -0.08 0.36 -0.18 -0.51 0.00 0.00 0.00 174.94 174.53 1bwy s ILE 51 N 0.19 2.66 -0.04 2.92 2.07 -0.01 -0.44 121.20 128.55 1bwy s ILE 51 Ca 0.33 -0.83 0.06 0.00 -1.41 0.00 0.00 60.65 58.80 1bwy s ILE 51 Cb -0.18 -2.05 -0.01 0.00 0.13 0.00 0.00 42.46 40.35 1bwy s ILE 51 CO 0.17 0.56 -0.23 -0.54 -1.91 0.00 0.00 174.94 172.99 1bwy s LYS 52 N -0.02 2.12 -0.14 3.50 1.02 0.13 -0.66 119.74 125.69 1bwy s LYS 52 Ca -0.05 -0.81 0.16 0.00 0.02 0.00 0.00 55.97 55.29 1bwy s LYS 52 Cb -0.14 -1.89 0.61 0.00 -0.52 0.00 0.00 37.83 35.88 1bwy s LYS 52 CO 0.04 0.39 1.52 0.25 -0.92 0.00 0.00 175.35 176.64 1bwy n THR 53 N 2.83 2.05 -1.34 2.17 -2.24 -0.69 -1.11 114.28 115.94 1bwy n THR 53 Ca -0.17 -1.45 -0.55 0.00 -2.27 0.00 0.00 64.05 59.61 1bwy n THR 53 Cb 0.52 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1bwy n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwy n GLN 54 N 0.36 0.39 -0.17 -0.78 0.00 -1.15 -4.53 117.38 111.50 1bwy n GLN 54 Ca 0.22 0.10 -0.10 0.00 0.00 0.00 0.00 57.00 57.22 1bwy n GLN 54 Cb 0.88 -1.87 0.00 0.00 0.00 0.00 0.00 30.24 29.26 1bwy n GLN 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1bwy h SER 55 N 10.59 0.90 0.00 2.61 0.87 -1.76 -2.94 113.55 123.82 1bwy h SER 55 Ca -0.16 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1bwy h SER 55 Cb 1.38 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1bwy h SER 55 CO 1.09 1.02 0.00 0.41 -0.53 0.00 0.00 176.83 178.82 1bwy n THR 56 N -4.27 0.00 0.08 2.23 -1.04 -1.26 -4.49 114.28 105.52 1bwy n THR 56 Ca 0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1bwy n THR 56 Cb 0.36 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.79 1bwy n THR 56 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1bwy h PHE 57 N 0.00 -0.24 -1.44 -1.42 0.04 -2.00 -3.49 116.94 108.38 1bwy h PHE 57 Ca 0.00 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 60.98 1bwy h PHE 57 Cb 0.00 0.08 -0.21 0.00 2.20 0.00 0.00 35.95 38.02 1bwy h PHE 57 CO 0.00 0.17 0.78 -1.59 -0.60 0.00 0.00 178.31 177.07 1bwy s LYS 58 N -3.66 0.32 0.00 1.51 -2.85 -1.26 -4.94 119.74 108.87 1bwy s LYS 58 Ca -0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 1bwy s LYS 58 Cb 0.01 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1bwy s LYS 58 CO 0.48 -0.13 0.00 0.09 0.10 0.00 0.00 175.35 175.89 1bwy n ASN 59 N 0.16 0.00 -3.99 0.03 5.03 -1.26 -4.35 115.26 110.88 1bwy n ASN 59 Ca -0.02 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.35 1bwy n ASN 59 Cb 0.58 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.25 1bwy n ASN 59 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1bwy s THR 60 N -0.10 0.17 -0.11 3.41 -4.23 -1.26 -5.00 115.64 108.52 1bwy s THR 60 Ca 0.00 -1.42 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1bwy s THR 60 Cb 0.00 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 1bwy s THR 60 CO 0.00 -0.78 -0.10 -0.70 -0.54 0.00 0.00 174.62 172.50 1bwy s GLU 61 N -3.39 3.18 -0.14 3.99 2.12 -1.26 -1.70 118.70 121.50 1bwy s GLU 61 Ca 0.02 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 54.73 1bwy s GLU 61 Cb 0.04 -2.65 0.03 0.00 0.26 0.00 0.00 34.13 31.81 1bwy s GLU 61 CO -0.08 0.38 -0.07 0.42 -0.54 0.00 0.00 175.26 175.37 1bwy s ILE 62 N -0.07 1.13 -0.95 -3.70 1.01 0.17 -5.01 121.20 113.78 1bwy s ILE 62 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1bwy s ILE 62 Cb -0.14 -1.22 0.24 0.00 0.01 0.00 0.00 42.46 41.35 1bwy s ILE 62 CO 0.03 0.25 0.87 -0.94 0.00 0.00 0.00 174.94 175.16 1bwy s SER 63 N 1.64 6.44 0.36 3.58 1.04 -1.26 -0.83 113.70 124.68 1bwy s SER 63 Ca 0.03 -3.57 -0.26 0.00 0.48 0.00 0.00 55.95 52.62 1bwy s SER 63 Cb -0.14 -2.02 -0.09 0.00 0.10 0.00 0.00 66.02 63.87 1bwy s SER 63 CO -0.08 -0.25 1.13 -0.36 0.98 0.00 0.00 173.24 174.66 1bwy s PHE 64 N -1.16 3.24 -0.23 5.02 0.08 0.01 -4.88 117.98 120.06 1bwy s PHE 64 Ca 0.27 1.60 0.02 0.00 0.12 0.00 0.00 56.93 58.95 1bwy s PHE 64 Cb -0.09 -3.33 0.05 0.00 -0.57 0.00 0.00 43.02 39.08 1bwy s PHE 64 CO -0.10 -1.01 -0.12 0.21 -0.10 0.00 0.00 175.22 174.10 1bwy s LYS 65 N -2.09 2.25 -0.62 0.44 2.20 -1.26 -0.39 119.74 120.27 1bwy s LYS 65 Ca 0.53 -1.12 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 1bwy s LYS 65 Cb -0.30 -2.71 -0.13 0.00 -1.51 0.00 0.00 37.83 33.18 1bwy s LYS 65 CO 0.38 -0.49 2.44 1.47 -0.36 0.00 0.00 175.35 178.79 1bwy n LEU 66 N 4.54 1.58 -0.21 5.43 -0.00 -1.26 -2.29 117.00 124.79 1bwy n LEU 66 Ca -0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1bwy n LEU 66 Cb 0.44 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.60 1bwy n LEU 66 CO 0.21 -1.05 0.00 0.61 -0.00 0.00 0.00 177.39 177.16 1bwy n GLY 67 N 6.34 0.69 3.84 1.47 0.00 0.57 -4.92 105.19 113.18 1bwy n GLY 67 Ca 0.48 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.74 0.00 0.11 1.61 0.11 -0.66 -5.01 120.40 114.82 1bwy s VAL 68 Ca 0.00 -1.03 0.10 0.00 -2.93 0.00 0.00 61.98 58.13 1bwy s VAL 68 Cb 0.00 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 1bwy s VAL 68 CO 0.00 0.00 -0.26 -1.83 -3.33 0.00 0.00 175.10 169.68 1bwy s GLU 69 N -3.81 1.44 0.03 1.54 -1.05 -1.26 -0.68 118.70 114.91 1bwy s GLU 69 Ca 0.12 -1.29 -0.03 0.00 -0.15 0.00 0.00 54.97 53.62 1bwy s GLU 69 Cb -0.06 -1.86 -0.02 0.00 -0.44 0.00 0.00 34.13 31.75 1bwy s GLU 69 CO 0.07 0.45 0.03 -0.59 0.95 0.00 0.00 175.26 176.17 1bwy s PHE 70 N -1.02 0.26 0.47 4.83 -0.71 -0.14 -4.97 117.98 116.70 1bwy s PHE 70 Ca 0.13 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.21 1bwy s PHE 70 Cb -0.10 -0.19 -0.07 0.00 -1.21 0.00 0.00 43.02 41.45 1bwy s PHE 70 CO 0.05 -0.30 1.32 0.34 -1.34 0.00 0.00 175.22 175.30 1bwy s ASP 71 N -1.94 5.85 0.06 1.98 2.15 -1.26 -0.46 116.67 123.05 1bwy s ASP 71 Ca -0.08 2.69 -0.07 0.00 0.43 0.00 0.00 52.55 55.52 1bwy s ASP 71 Cb -0.03 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 1bwy s ASP 71 CO -0.04 -1.17 0.13 -0.70 -0.17 0.00 0.00 175.17 173.22 1bwy s GLU 72 N -2.58 0.72 0.02 4.34 2.56 0.11 -4.70 118.70 119.17 1bwy s GLU 72 Ca 0.64 -0.92 0.01 0.00 0.00 0.00 0.00 54.97 54.69 1bwy s GLU 72 Cb -0.38 0.28 -0.02 0.00 2.00 0.00 0.00 34.13 36.02 1bwy s GLU 72 CO 0.48 -0.20 -0.05 -0.08 -0.56 0.00 0.00 175.26 174.85 1bwy s THR 73 N -3.43 0.33 0.33 -1.70 -1.32 -1.26 -0.82 115.64 107.76 1bwy s THR 73 Ca 0.02 -0.72 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 1bwy s THR 73 Cb 0.03 -0.39 -0.06 0.00 -1.51 0.00 0.00 72.50 70.57 1bwy s THR 73 CO -0.09 -0.26 0.06 0.28 -2.21 0.00 0.00 174.62 172.41 1bwy s THR 74 N -0.95 1.16 -0.05 5.08 -1.32 -1.19 -5.00 115.64 113.36 1bwy s THR 74 Ca -0.08 -2.00 0.23 0.00 -1.21 0.00 0.00 61.69 58.63 1bwy s THR 74 Cb -0.07 -2.77 0.23 0.00 -1.51 0.00 0.00 72.50 68.37 1bwy s THR 74 CO -0.00 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 174.08 1bwy h ALA 75 N 2.10 1.04 -0.53 11.08 0.00 -1.93 0.42 119.26 131.44 1bwy h ALA 75 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1bwy h ALA 75 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bwy h ALA 75 CO 0.69 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1bwy n ASP 76 N -2.32 3.64 -3.82 0.00 5.75 -1.26 -4.92 116.55 113.62 1bwy n ASP 76 Ca -0.02 -2.25 -0.24 0.00 -0.01 0.00 0.00 54.79 52.27 1bwy n ASP 76 Cb 0.10 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 39.70 1bwy n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1bwy n ASP 77 N 0.94 -1.48 -4.68 -1.12 2.03 0.15 -4.94 116.55 107.44 1bwy n ASP 77 Ca 0.20 -0.73 -0.42 0.00 0.52 0.00 0.00 54.79 54.36 1bwy n ASP 77 Cb 0.66 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 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 -6.14 4.15 -0.40 -0.67 0.52 -1.24 -4.90 118.95 110.28 1bwy s ARG 78 Ca 0.20 2.52 -0.29 0.00 -0.52 0.00 0.00 55.73 57.64 1bwy s ARG 78 Cb -0.11 -3.72 0.02 0.00 0.52 0.00 0.00 34.95 31.65 1bwy s ARG 78 CO 0.55 -0.84 1.18 0.21 0.02 0.00 0.00 175.30 176.42 1bwy s LYS 79 N 3.11 3.84 0.38 3.54 2.47 -1.26 -3.20 119.74 128.61 1bwy s LYS 79 Ca 0.81 0.87 0.04 0.00 -1.56 0.00 0.00 55.97 56.12 1bwy s LYS 79 Cb -0.43 -3.87 -0.05 0.00 -1.46 0.00 0.00 37.83 32.01 1bwy s LYS 79 CO 0.36 -1.22 0.06 0.14 0.16 0.00 0.00 175.35 174.85 1bwy s VAL 80 N 4.33 1.20 -0.15 4.02 -7.23 -0.00 -4.83 120.40 117.74 1bwy s VAL 80 Ca 0.50 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1bwy s VAL 80 Cb -0.11 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1bwy s VAL 80 CO 0.26 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.47 1bwy s LYS 81 N -3.83 3.65 -0.61 4.82 1.02 0.50 0.04 119.74 125.33 1bwy s LYS 81 Ca 0.30 -0.52 -0.22 0.00 0.02 0.00 0.00 55.97 55.56 1bwy s LYS 81 Cb 0.07 -2.91 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1bwy s LYS 81 CO 0.14 0.26 0.90 -1.12 -0.92 0.00 0.00 175.35 174.61 1bwy s SER 82 N 0.31 6.22 -0.01 2.83 0.01 0.39 -0.82 113.70 122.63 1bwy s SER 82 Ca -0.03 -0.85 -0.21 0.00 1.31 0.00 0.00 55.95 56.17 1bwy s SER 82 Cb -0.14 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1bwy s SER 82 CO 0.03 -1.29 0.60 -0.63 0.41 0.00 0.00 173.24 172.35 1bwy s ILE 83 N 3.75 4.92 -0.03 1.44 1.09 0.56 -0.97 121.20 131.98 1bwy s ILE 83 Ca 0.23 1.25 -0.02 0.00 -1.10 0.00 0.00 60.65 61.00 1bwy s ILE 83 Cb -0.17 -3.94 0.01 0.00 -1.06 0.00 0.00 42.46 37.31 1bwy s ILE 83 CO 0.12 0.40 0.07 0.54 -0.10 0.00 0.00 174.94 175.98 1bwy s VAL 84 N -0.10 -0.00 0.08 2.92 0.11 0.15 -0.25 120.40 123.30 1bwy s VAL 84 Ca 0.31 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1bwy s VAL 84 Cb -0.18 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1bwy s VAL 84 CO 0.17 0.00 0.13 1.07 -3.33 0.00 0.00 175.10 173.14 1bwy n THR 85 N 3.09 0.00 -3.69 5.04 5.66 -1.16 -0.32 114.28 122.91 1bwy n THR 85 Ca -0.13 -0.35 -0.25 0.00 -3.05 0.00 0.00 64.05 60.27 1bwy n THR 85 Cb 0.59 0.24 -0.17 0.00 -1.55 0.00 0.00 70.33 69.44 1bwy n THR 85 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1bwy s LEU 86 N 0.00 0.62 -0.34 1.09 0.20 -1.26 -0.65 118.68 118.34 1bwy s LEU 86 Ca 0.06 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.38 1bwy s LEU 86 Cb -0.00 -0.37 0.07 0.00 -0.43 0.00 0.00 46.19 45.46 1bwy s LEU 86 CO 0.04 -0.29 0.06 1.51 -0.29 0.00 0.00 176.35 177.38 1bwy s ASP 87 N 2.03 4.97 0.00 3.68 -4.77 -0.72 -4.86 116.67 116.99 1bwy s ASP 87 Ca 0.02 -1.60 0.00 0.00 -3.30 0.00 0.00 52.55 47.67 1bwy s ASP 87 Cb -0.15 -1.73 0.00 0.00 -1.09 0.00 0.00 42.92 39.95 1bwy s ASP 87 CO -0.07 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.05 1bwy n GLY 88 N 4.56 1.40 2.66 2.12 0.00 -1.26 -3.78 105.19 110.90 1bwy n GLY 88 Ca -0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.77 0.00 -0.02 0.00 -1.26 -5.14 105.19 97.01 1bwy n GLY 89 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 1.51 0.00 -3.22 1.61 2.85 -1.25 -4.88 118.16 114.79 1bwy n LYS 90 Ca 0.01 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.88 1bwy n LYS 90 Cb 0.71 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.03 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 4.46 -0.44 -5.58 -0.00 0.00 -1.75 118.68 115.37 1bwy s LEU 91 Ca 0.00 1.21 -0.00 0.00 -0.00 0.00 0.00 54.13 55.34 1bwy s LEU 91 Cb 0.00 -2.93 0.12 0.00 -0.00 0.00 0.00 46.19 43.38 1bwy s LEU 91 CO 0.00 0.16 0.21 0.68 -0.00 0.00 0.00 176.35 177.40 1bwy s VAL 92 N -0.53 3.00 -0.61 1.48 -7.23 0.18 -0.81 120.40 115.89 1bwy s VAL 92 Ca 0.31 -2.44 -0.25 0.00 -1.81 0.00 0.00 61.98 57.78 1bwy s VAL 92 Cb -0.19 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 33.72 1bwy s VAL 92 CO 0.18 -0.71 1.06 -2.28 -0.31 0.00 0.00 175.10 173.04 1bwy s HIS 93 N 0.70 2.64 -0.17 2.82 5.04 -0.13 -2.98 115.29 123.21 1bwy s HIS 93 Ca 0.11 0.01 -0.19 0.00 -1.54 0.00 0.00 55.06 53.45 1bwy s HIS 93 Cb -0.22 -4.31 -0.03 0.00 0.04 0.00 0.00 32.58 28.06 1bwy s HIS 93 CO -0.05 -1.58 0.53 0.08 -2.34 0.00 0.00 174.74 171.38 1bwy s VAL 94 N 4.52 5.12 -0.33 0.89 1.01 0.65 -0.22 120.40 132.04 1bwy s VAL 94 Ca 0.33 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 1bwy s VAL 94 Cb -0.11 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.49 1bwy s VAL 94 CO 0.19 0.22 0.04 -1.58 0.00 0.00 0.00 175.10 173.97 1bwy s GLN 95 N 1.34 2.10 -0.17 2.72 0.74 0.36 -0.32 119.66 126.43 1bwy s GLN 95 Ca 0.26 -1.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.10 1bwy s GLN 95 Cb -0.15 -3.24 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 1bwy s GLN 95 CO 0.10 -0.79 -0.07 0.21 -0.55 0.00 0.00 175.29 174.19 1bwy s LYS 96 N 1.13 3.48 -0.13 1.67 2.20 0.00 -0.82 119.74 127.28 1bwy s LYS 96 Ca 0.01 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 54.88 1bwy s LYS 96 Cb -0.20 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1bwy s LYS 96 CO -0.04 0.09 -0.26 -2.67 -0.36 0.00 0.00 175.35 172.11 1bwy n TRP 97 N 3.95 0.03 0.00 4.03 2.14 -1.18 -0.37 117.44 126.04 1bwy n TRP 97 Ca -0.18 0.01 0.00 0.00 2.07 0.00 0.00 57.50 59.40 1bwy n TRP 97 Cb 0.52 -0.38 0.00 0.00 -0.81 0.00 0.00 31.31 30.64 1bwy n TRP 97 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1bwy n ASN 98 N -3.97 0.00 0.06 -0.67 6.94 -1.26 -4.85 115.26 111.51 1bwy n ASN 98 Ca -0.10 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.58 1bwy n ASN 98 Cb 0.38 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.26 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 0.00 -1.42 3.18 4.83 0.00 -1.26 -4.73 105.19 105.79 1bwy n GLY 99 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.11 0.96 0.02 1.61 1.11 -1.26 -5.17 119.66 113.83 1bwy s GLN 100 Ca 0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 55.36 53.98 1bwy s GLN 100 Cb 0.13 0.03 -0.01 0.00 -1.01 0.00 0.00 33.01 32.14 1bwy s GLN 100 CO 0.47 -0.19 0.04 -1.83 0.01 0.00 0.00 175.29 173.79 1bwy s GLU 101 N -3.98 0.45 0.09 2.91 -1.05 -1.26 -3.07 118.70 112.78 1bwy s GLU 101 Ca 0.22 -0.65 0.08 0.00 -0.15 0.00 0.00 54.97 54.48 1bwy s GLU 101 Cb 0.07 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1bwy s GLU 101 CO 0.01 -0.10 -0.19 -0.08 0.95 0.00 0.00 175.26 175.86 1bwy s THR 102 N -1.94 2.77 -0.13 1.83 -1.32 0.00 -4.88 115.64 111.97 1bwy s THR 102 Ca -0.11 -1.40 -0.03 0.00 -1.21 0.00 0.00 61.69 58.94 1bwy s THR 102 Cb -0.06 -2.22 -0.03 0.00 -1.51 0.00 0.00 72.50 68.68 1bwy s THR 102 CO -0.02 0.19 -0.01 -0.94 -2.21 0.00 0.00 174.62 171.63 1bwy s SER 103 N -1.85 5.06 -0.49 8.08 1.04 -0.27 -0.49 113.70 124.77 1bwy s SER 103 Ca 0.16 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1bwy s SER 103 Cb -0.10 -1.64 0.13 0.00 0.10 0.00 0.00 66.02 64.51 1bwy s SER 103 CO 0.08 0.26 0.25 -0.76 0.98 0.00 0.00 173.24 174.05 1bwy s LEU 104 N -0.19 3.80 0.05 2.42 1.02 0.69 -0.66 118.68 125.81 1bwy s LEU 104 Ca 0.05 -2.89 -0.18 0.00 0.02 0.00 0.00 54.13 51.13 1bwy s LEU 104 Cb -0.13 -1.45 -0.06 0.00 0.02 0.00 0.00 46.19 44.57 1bwy s LEU 104 CO 0.02 -0.24 0.53 0.68 0.02 0.00 0.00 176.35 177.36 1bwy s VAL 105 N -0.08 4.82 0.02 -1.59 -7.23 -1.19 -0.95 120.40 114.20 1bwy s VAL 105 Ca 0.17 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.48 1bwy s VAL 105 Cb -0.25 -3.86 -0.02 0.00 0.56 0.00 0.00 36.38 32.81 1bwy s VAL 105 CO 0.00 0.55 -0.04 -0.13 -0.31 0.00 0.00 175.10 175.17 1bwy s ARG 106 N -1.00 0.31 -0.02 4.82 3.00 0.01 -2.58 118.95 123.50 1bwy s ARG 106 Ca 0.28 -0.55 -0.28 0.00 0.00 0.00 0.00 55.73 55.18 1bwy s ARG 106 Cb -0.19 0.01 0.09 0.00 0.00 0.00 0.00 34.95 34.86 1bwy s ARG 106 CO 0.17 -0.02 0.80 -2.00 0.00 0.00 0.00 175.30 174.25 1bwy s GLU 107 N -1.25 0.93 -0.27 3.54 2.56 -1.18 -0.82 118.70 122.20 1bwy s GLU 107 Ca -0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.97 54.68 1bwy s GLU 107 Cb -0.08 0.43 -0.02 0.00 2.00 0.00 0.00 34.13 36.46 1bwy s GLU 107 CO -0.01 -0.35 0.11 1.41 -0.56 0.00 0.00 175.26 175.86 1bwy s MET 108 N -2.27 3.56 0.42 4.30 -2.45 -1.26 -0.74 119.30 120.85 1bwy s MET 108 Ca -0.02 -0.56 0.07 0.00 -1.25 0.00 0.00 55.69 53.93 1bwy s MET 108 Cb -0.01 -3.44 -0.07 0.00 1.25 0.00 0.00 34.83 32.57 1bwy s MET 108 CO -0.02 -0.27 0.06 0.14 1.05 0.00 0.00 175.02 175.97 1bwy s VAL 109 N 1.62 2.05 0.00 10.11 -7.23 -1.22 -4.97 120.40 120.76 1bwy s VAL 109 Ca 0.06 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1bwy s VAL 109 Cb -0.16 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.82 1bwy s VAL 109 CO 0.05 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.17 1bwy n ASP 110 N -1.06 0.00 -0.44 4.85 2.03 -1.26 -2.85 116.55 117.82 1bwy n ASP 110 Ca -0.04 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.31 1bwy n ASP 110 Cb 0.66 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.14 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 2.60 2.94 0.27 0.00 -1.26 -5.04 105.19 104.69 1bwy n GLY 111 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.36 0.30 -0.23 1.61 1.02 -1.13 -4.37 119.74 115.57 1bwy s LYS 112 Ca 0.18 -0.17 -0.20 0.00 0.02 0.00 0.00 55.97 55.80 1bwy s LYS 112 Cb 0.17 -0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1bwy s LYS 112 CO -0.01 0.07 0.62 -1.17 -0.92 0.00 0.00 175.35 173.94 1bwy s LEU 113 N -0.20 4.10 0.27 3.17 0.20 0.74 -3.45 118.68 123.52 1bwy s LEU 113 Ca 0.00 0.75 -0.10 0.00 0.69 0.00 0.00 54.13 55.47 1bwy s LEU 113 Cb -0.02 -2.86 -0.07 0.00 -0.43 0.00 0.00 46.19 42.81 1bwy s LEU 113 CO -0.00 -0.32 0.61 0.27 -0.29 0.00 0.00 176.35 176.62 1bwy s ILE 114 N 2.22 4.87 -0.08 6.68 -5.25 0.08 -0.41 121.20 129.31 1bwy s ILE 114 Ca 0.27 0.56 -0.02 0.00 -0.99 0.00 0.00 60.65 60.46 1bwy s ILE 114 Cb -0.16 -3.64 0.04 0.00 2.95 0.00 0.00 42.46 41.65 1bwy s ILE 114 CO 0.09 -0.16 0.04 -0.22 -1.79 0.00 0.00 174.94 172.90 1bwy s LEU 115 N -3.02 0.43 -0.42 0.37 1.98 0.45 -3.12 118.68 115.36 1bwy s LEU 115 Ca 0.49 -0.14 -0.04 0.00 -2.89 0.00 0.00 54.13 51.55 1bwy s LEU 115 Cb -0.11 -0.31 0.11 0.00 0.66 0.00 0.00 46.19 46.54 1bwy s LEU 115 CO 0.22 -0.24 0.23 -0.89 -1.89 0.00 0.00 176.35 173.78 1bwy s THR 116 N 2.06 3.47 -0.32 3.68 2.01 -1.07 -0.55 115.64 124.93 1bwy s THR 116 Ca 0.04 -2.00 -0.29 0.00 0.31 0.00 0.00 61.69 59.75 1bwy s THR 116 Cb -0.13 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1bwy s THR 116 CO -0.05 -0.71 1.14 -0.76 -0.69 0.00 0.00 174.62 173.55 1bwy s LEU 117 N 1.18 3.91 -0.24 4.42 1.43 -0.27 -3.15 118.68 125.97 1bwy s LEU 117 Ca 0.08 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1bwy s LEU 117 Cb -0.23 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1bwy s LEU 117 CO -0.04 -0.95 -0.12 -0.89 0.23 0.00 0.00 176.35 174.59 1bwy s THR 118 N 3.87 2.38 -0.14 5.49 2.01 0.17 -0.36 115.64 129.07 1bwy s THR 118 Ca 0.49 -1.26 0.18 0.00 0.31 0.00 0.00 61.69 61.40 1bwy s THR 118 Cb -0.13 -2.24 -0.24 0.00 0.01 0.00 0.00 72.50 69.90 1bwy s THR 118 CO 0.18 0.19 0.33 1.57 -0.69 0.00 0.00 174.62 176.20 1bwy n HIS 119 N 4.56 0.30 0.00 4.92 -0.00 -0.31 -1.12 115.22 123.57 1bwy n HIS 119 Ca -0.17 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1bwy n HIS 119 Cb 0.46 -0.97 0.00 0.00 -0.00 0.00 0.00 29.99 29.48 1bwy n HIS 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bwy n GLY 120 N 1.59 1.08 0.24 1.57 0.00 -1.26 -4.78 105.19 103.63 1bwy n GLY 120 Ca -0.23 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 1bwy n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwy h THR 121 N 0.00 1.07 -2.86 2.61 1.03 -2.03 -3.42 112.91 109.32 1bwy h THR 121 Ca 0.00 -0.25 -0.63 0.00 -0.01 0.00 0.00 66.41 65.52 1bwy h THR 121 Cb 0.00 0.28 -0.06 0.00 -1.07 0.00 0.00 68.15 67.30 1bwy h THR 121 CO 0.00 0.13 -0.35 0.00 -0.01 0.00 0.00 175.52 175.29 1bwy s ALA 122 N -6.13 3.80 -0.05 0.00 0.00 -1.26 -5.09 121.76 113.03 1bwy s ALA 122 Ca -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1bwy s ALA 122 Cb 0.14 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1bwy s ALA 122 CO 0.75 0.58 -0.04 0.08 0.00 0.00 0.00 175.76 177.13 1bwy s VAL 123 N -1.14 0.54 -0.33 0.00 1.01 -1.26 -1.16 120.40 118.06 1bwy s VAL 123 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1bwy s VAL 123 Cb -0.14 -0.57 0.08 0.00 0.00 0.00 0.00 36.38 35.75 1bwy s VAL 123 CO 0.11 0.23 0.05 0.00 0.00 0.00 0.00 175.10 175.49 1bwy s THR 125 N 1.11 3.14 0.03 0.00 -4.23 -1.26 -1.11 115.64 113.32 1bwy s THR 125 Ca 0.02 0.96 -0.24 0.00 -1.18 0.00 0.00 61.69 61.26 1bwy s THR 125 Cb -0.20 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.15 1bwy s THR 125 CO -0.04 0.10 0.54 -0.60 -0.54 0.00 0.00 174.62 174.08 1bwy s ARG 126 N -2.26 1.03 0.05 3.99 3.52 0.29 -2.56 118.95 123.01 1bwy s ARG 126 Ca 0.57 -0.15 -0.09 0.00 -0.13 0.00 0.00 55.73 55.92 1bwy s ARG 126 Cb -0.31 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1bwy s ARG 126 CO 0.39 -0.37 0.19 -0.08 -0.81 0.00 0.00 175.30 174.63 1bwy s THR 127 N -2.23 0.12 0.08 4.11 -1.32 -0.28 -0.41 115.64 115.71 1bwy s THR 127 Ca -0.06 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 59.50 1bwy s THR 127 Cb -0.01 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1bwy s THR 127 CO 0.00 -0.52 -0.09 -0.31 -2.21 0.00 0.00 174.62 171.49 1bwy s TYR 128 N -2.79 0.95 -0.04 9.09 2.02 0.45 -0.64 117.35 126.39 1bwy s TYR 128 Ca -0.03 -0.64 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1bwy s TYR 128 Cb -0.00 -0.53 0.00 0.00 -0.40 0.00 0.00 41.96 41.03 1bwy s TYR 128 CO -0.05 -0.04 -0.13 -2.00 -1.57 0.00 0.00 175.55 171.76 1bwy s GLU 129 N -2.56 1.42 -0.22 -0.62 2.12 0.15 -0.18 118.70 118.81 1bwy s GLU 129 Ca 0.02 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1bwy s GLU 129 Cb -0.04 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.11 1bwy s GLU 129 CO -0.00 0.14 1.13 0.21 -0.54 0.00 0.00 175.26 176.19 1bwy s LYS 130 N 0.25 4.22 -0.15 4.30 2.20 -1.26 -0.73 119.74 128.57 1bwy s LYS 130 Ca -0.06 1.44 0.14 0.00 -0.36 0.00 0.00 55.97 57.13 1bwy s LYS 130 Cb -0.11 -3.70 -0.20 0.00 -1.51 0.00 0.00 37.83 32.31 1bwy s LYS 130 CO 0.02 -0.70 0.07 0.00 -0.36 0.00 0.00 175.35 174.38 1bwy n GLN 131 N 6.50 1.34 -0.21 4.03 10.64 0.27 -4.98 117.38 134.97 1bwy n GLN 131 Ca 0.13 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1bwy n GLN 131 Cb 0.46 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.42 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23