#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 4.60 0.04 6.55 9.92 -1.26 -2.49 116.55 133.90 1bwy n ASP 2 Ca 0.00 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.00 1bwy n ASP 2 Cb 0.00 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwy n ALA 3 N 3.26 0.04 -0.12 2.24 0.00 -1.26 -4.96 120.51 119.72 1bwy n ALA 3 Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 1bwy n ALA 3 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 0.34 -0.03 0.00 0.04 -1.85 -3.43 116.94 112.01 1bwy h PHE 4 Ca 0.00 0.02 -0.71 0.00 2.80 0.00 0.00 57.97 60.08 1bwy h PHE 4 Cb 0.00 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1bwy h PHE 4 CO 0.00 0.17 1.18 1.55 -0.60 0.00 0.00 178.31 180.61 1bwy n VAL 5 N -4.94 0.00 0.00 -0.55 3.14 -1.24 -4.56 118.33 110.17 1bwy n VAL 5 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1bwy n VAL 5 Cb 0.11 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 1bwy n VAL 5 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwy n GLY 6 N 6.73 0.57 3.02 7.55 0.00 0.09 -5.01 105.19 118.14 1bwy n GLY 6 Ca 0.49 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.37 0.93 0.31 2.61 2.01 0.20 -0.51 115.64 117.82 1bwy s THR 7 Ca 0.00 -0.43 0.10 0.00 0.31 0.00 0.00 61.69 61.68 1bwy s THR 7 Cb 0.00 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1bwy s THR 7 CO 0.00 0.29 -0.11 0.26 -0.69 0.00 0.00 174.62 174.37 1bwy s TRP 8 N 0.26 2.41 -0.02 4.92 0.52 0.24 -0.62 118.94 126.64 1bwy s TRP 8 Ca -0.05 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.69 1bwy s TRP 8 Cb -0.10 -1.21 0.02 0.00 -1.15 0.00 0.00 33.47 31.02 1bwy s TRP 8 CO 0.01 0.63 -0.02 0.21 0.02 0.00 0.00 176.95 177.80 1bwy s LYS 9 N -3.59 0.42 0.58 4.98 2.20 0.31 -0.58 119.74 124.06 1bwy s LYS 9 Ca 0.32 -0.03 -0.20 0.00 -0.36 0.00 0.00 55.97 55.69 1bwy s LYS 9 Cb -0.02 -0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 1bwy s LYS 9 CO 0.17 -0.05 1.32 -1.17 -0.36 0.00 0.00 175.35 175.25 1bwy s LEU 10 N 0.65 3.75 0.00 5.43 0.20 -0.53 -0.56 118.68 127.61 1bwy s LEU 10 Ca -0.07 2.68 0.00 0.00 0.69 0.00 0.00 54.13 57.43 1bwy s LEU 10 Cb -0.10 -4.41 0.00 0.00 -0.43 0.00 0.00 46.19 41.25 1bwy s LEU 10 CO -0.01 -1.70 0.00 0.55 -0.29 0.00 0.00 176.35 174.90 1bwy n VAL 11 N -1.35 0.00 -3.53 1.68 3.14 -0.44 -4.79 118.33 113.04 1bwy n VAL 11 Ca 0.12 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.15 1bwy n VAL 11 Cb 0.46 -0.45 -0.06 0.00 -1.06 0.00 0.00 33.84 32.74 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 -4.36 6.70 -0.20 6.55 1.01 -1.18 -4.94 116.67 120.25 1bwy s ASP 12 Ca 0.00 0.86 0.05 0.00 0.71 0.00 0.00 52.55 54.17 1bwy s ASP 12 Cb 0.00 -2.21 0.16 0.00 1.01 0.00 0.00 42.92 41.89 1bwy s ASP 12 CO 0.00 0.19 1.00 -0.24 0.21 0.00 0.00 175.17 176.33 1bwy n SER 13 N 1.06 -0.85 -4.73 0.27 2.88 -1.26 -0.52 113.62 110.47 1bwy n SER 13 Ca -0.09 -1.62 -0.33 0.00 -1.33 0.00 0.00 58.87 55.50 1bwy n SER 13 Cb 0.52 0.52 0.09 0.00 -0.75 0.00 0.00 64.21 64.59 1bwy n SER 13 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1bwy s LYS 14 N 0.06 2.20 -1.89 -1.46 -2.85 -1.21 -3.17 119.74 111.43 1bwy s LYS 14 Ca 0.05 1.60 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 1bwy s LYS 14 Cb 0.17 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 1bwy s LYS 14 CO -0.05 -1.75 0.00 -1.71 0.10 0.00 0.00 175.35 171.94 1bwy n ASN 15 N -2.85 -5.50 -0.04 0.03 5.15 -1.26 -4.14 115.26 106.64 1bwy n ASN 15 Ca 0.12 0.22 -0.14 0.00 -0.60 0.00 0.00 54.58 54.19 1bwy n ASN 15 Cb 0.51 -4.71 -0.12 0.00 -0.53 0.00 0.00 39.78 34.93 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1bwy h PHE 16 N 0.00 0.02 -0.17 1.20 3.57 -1.86 -3.12 116.94 116.57 1bwy h PHE 16 Ca -0.44 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.08 1bwy h PHE 16 Cb 1.33 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.01 1bwy h PHE 16 CO 0.57 0.77 -0.47 0.22 -2.23 0.00 0.00 178.31 177.17 1bwy h ASP 17 N -0.74 -1.53 -0.76 0.41 3.58 -1.90 -2.42 116.42 113.07 1bwy h ASP 17 Ca -0.00 0.19 0.17 0.00 0.42 0.00 0.00 57.03 57.80 1bwy h ASP 17 Cb 0.77 0.60 -0.14 0.00 1.72 0.00 0.00 39.33 42.29 1bwy h ASP 17 CO 0.00 -0.40 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.11 1bwy h ASP 18 N -0.47 -0.49 -0.65 2.28 3.58 -1.89 0.23 116.42 119.01 1bwy h ASP 18 Ca 0.04 0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.78 1bwy h ASP 18 Cb 0.57 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 41.96 1bwy h ASP 18 CO -0.41 -0.22 0.32 0.22 -2.88 0.00 0.00 179.24 176.27 1bwy h TYR 19 N 0.05 0.57 0.01 0.28 5.03 -1.37 -1.42 116.97 120.11 1bwy h TYR 19 Ca 0.40 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.53 1bwy h TYR 19 Cb 0.68 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1bwy h TYR 19 CO -0.50 0.22 -0.90 0.52 -1.32 0.00 0.00 178.16 176.18 1bwy h MET 20 N 0.56 0.22 -2.52 1.82 2.86 -0.75 -1.10 114.93 116.03 1bwy h MET 20 Ca 0.31 -0.25 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 1bwy h MET 20 Cb 0.30 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1bwy h MET 20 CO -0.24 0.98 0.47 1.17 1.06 0.00 0.00 176.91 180.35 1bwy n LYS 21 N -3.66 1.56 0.02 1.72 4.81 0.63 -0.10 118.16 123.14 1bwy n LYS 21 Ca -0.04 -0.85 0.00 0.00 -0.87 0.00 0.00 58.31 56.55 1bwy n LYS 21 Cb 0.82 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1bwy n LYS 21 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bwy n SER 22 N 2.93 -0.31 0.27 3.14 7.64 -1.19 -4.85 113.62 121.24 1bwy n SER 22 Ca 0.33 0.52 0.16 0.00 1.01 0.00 0.00 58.87 60.90 1bwy n SER 22 Cb 0.53 0.74 0.61 0.00 -1.01 0.00 0.00 64.21 65.08 1bwy n SER 22 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bwy h LEU 23 N 0.00 0.00 0.00 -3.43 3.38 -1.03 -3.47 115.31 110.76 1bwy h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bwy h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bwy h LEU 23 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1bwy n GLY 24 N 0.18 3.19 3.07 0.83 0.00 0.86 -4.95 105.19 108.38 1bwy n GLY 24 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.57 1.17 -0.47 1.61 0.24 -1.25 -0.85 118.33 117.21 1bwy n VAL 25 Ca 0.00 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1bwy n VAL 25 Cb 0.00 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 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 4.38 0.78 0.27 7.63 0.00 -1.26 -4.60 105.19 112.39 1bwy n GLY 26 Ca 0.39 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.47 1bwy n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bwy n PHE 27 N -0.39 0.70 -2.45 1.61 -0.00 -0.03 -0.54 117.46 116.37 1bwy n PHE 27 Ca 0.00 0.97 -0.17 0.00 -0.00 0.00 0.00 57.45 58.25 1bwy n PHE 27 Cb 0.10 -1.22 0.02 0.00 -0.00 0.00 0.00 39.48 38.39 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bwy n ALA 28 N -2.89 4.18 0.00 3.13 0.00 -1.26 -4.63 120.51 119.03 1bwy n ALA 28 Ca 0.24 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1bwy n ALA 28 Cb 0.80 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1bwy n ALA 28 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bwy n THR 29 N -0.50 0.00 0.10 0.00 5.66 0.30 -4.83 114.28 115.01 1bwy n THR 29 Ca 0.28 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.47 1bwy n THR 29 Cb 0.82 -0.08 0.75 0.00 -1.55 0.00 0.00 70.33 70.26 1bwy n THR 29 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1bwy h ARG 30 N 0.00 0.00 0.00 1.09 9.65 -1.11 -0.21 114.38 123.80 1bwy h ARG 30 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1bwy h ARG 30 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1bwy h ARG 30 CO 0.00 0.00 -0.01 1.96 2.80 0.00 0.00 179.97 184.72 1bwy h GLN 31 N 0.00 0.00 0.00 0.20 1.08 -1.84 -2.36 115.11 112.18 1bwy h GLN 31 Ca 0.18 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.07 1bwy h GLN 31 Cb 0.83 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.20 1bwy h GLN 31 CO -0.00 0.01 -2.16 1.55 -0.95 0.00 0.00 178.83 177.28 1bwy n VAL 32 N -3.10 1.16 -0.84 -0.54 3.14 -0.47 -4.70 118.33 112.98 1bwy n VAL 32 Ca -0.00 -0.71 -0.28 0.00 -2.96 0.00 0.00 64.34 60.38 1bwy n VAL 32 Cb 0.26 -0.55 -0.03 0.00 -1.06 0.00 0.00 33.84 32.46 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 1.96 2.81 1.80 7.55 0.00 -0.21 -3.04 105.19 116.06 1bwy n GLY 33 Ca -0.28 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 5.45 -0.48 -0.10 1.61 0.23 -1.25 -4.84 115.26 115.87 1bwy n ASN 34 Ca 0.44 0.11 -0.06 0.00 -0.53 0.00 0.00 54.58 54.53 1bwy n ASN 34 Cb 0.22 0.84 0.01 0.00 -2.08 0.00 0.00 39.78 38.77 1bwy n ASN 34 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1bwy h MET 35 N 0.00 0.28 -4.28 -3.83 2.86 -1.84 -3.25 114.93 104.87 1bwy h MET 35 Ca 0.00 -0.02 -0.52 0.00 -2.06 0.00 0.00 59.70 57.10 1bwy h MET 35 Cb 0.00 -0.06 0.05 0.00 0.06 0.00 0.00 31.60 31.65 1bwy h MET 35 CO 0.00 0.19 2.12 2.41 1.06 0.00 0.00 176.91 182.68 1bwy n THR 36 N -5.00 1.52 0.00 2.22 -1.04 -1.26 -4.86 114.28 105.85 1bwy n THR 36 Ca 0.01 -1.17 0.00 0.00 -2.04 0.00 0.00 64.05 60.85 1bwy n THR 36 Cb 0.12 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bwy n LYS 37 N 6.34 0.00 -1.82 -2.82 4.01 -1.23 -4.76 118.16 117.88 1bwy n LYS 37 Ca 0.44 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.82 1bwy n LYS 37 Cb 0.31 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.82 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 0.00 4.14 0.13 1.97 0.04 -1.26 -4.48 135.00 135.55 1bwy s PRO 38 Ca 0.00 2.53 -0.20 0.00 0.04 0.00 0.00 61.00 63.38 1bwy s PRO 38 Cb 0.00 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 1bwy s PRO 38 CO 0.00 -0.56 0.64 0.99 0.04 0.00 0.00 177.00 178.11 1bwy s THR 39 N -0.41 4.65 -0.29 1.26 2.01 0.10 -1.45 115.64 121.51 1bwy s THR 39 Ca 0.59 1.26 -0.01 0.00 0.31 0.00 0.00 61.69 63.84 1bwy s THR 39 Cb -0.46 -3.91 0.09 0.00 0.01 0.00 0.00 72.50 68.23 1bwy s THR 39 CO 0.53 0.43 0.07 -0.89 -0.69 0.00 0.00 174.62 174.06 1bwy s THR 40 N -1.26 0.98 0.11 -0.82 2.01 0.26 -0.39 115.64 116.52 1bwy s THR 40 Ca 0.35 -1.33 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 1bwy s THR 40 Cb -0.19 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.59 1bwy s THR 40 CO 0.21 -0.56 1.26 -0.63 -0.69 0.00 0.00 174.62 174.21 1bwy s ILE 41 N 1.58 3.70 -0.29 1.82 1.01 -0.16 -0.59 121.20 128.26 1bwy s ILE 41 Ca 0.07 1.26 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1bwy s ILE 41 Cb -0.17 -3.81 0.09 0.00 0.01 0.00 0.00 42.46 38.57 1bwy s ILE 41 CO -0.20 0.12 0.03 -0.63 0.00 0.00 0.00 174.94 174.27 1bwy s ILE 42 N 0.81 1.52 -0.12 2.92 1.01 0.33 -0.48 121.20 127.19 1bwy s ILE 42 Ca 0.59 -1.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 1bwy s ILE 42 Cb -0.33 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 1bwy s ILE 42 CO 0.31 -0.46 0.25 -0.70 0.00 0.00 0.00 174.94 174.35 1bwy s GLU 43 N 1.32 3.97 -0.28 2.79 2.12 -0.70 -0.73 118.70 127.20 1bwy s GLU 43 Ca 0.05 0.06 -0.17 0.00 0.36 0.00 0.00 54.97 55.27 1bwy s GLU 43 Cb -0.18 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1bwy s GLU 43 CO -0.13 0.47 0.46 0.14 -0.54 0.00 0.00 175.26 175.66 1bwy s VAL 44 N -0.23 5.10 0.49 3.70 -7.23 -1.26 -0.73 120.40 120.24 1bwy s VAL 44 Ca 0.16 0.70 0.03 0.00 -1.81 0.00 0.00 61.98 61.06 1bwy s VAL 44 Cb -0.13 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 33.03 1bwy s VAL 44 CO 0.05 0.07 0.69 0.20 -0.31 0.00 0.00 175.10 175.81 1bwy s ASN 45 N 1.61 5.49 0.07 4.85 -0.87 0.85 -4.93 114.94 122.01 1bwy s ASN 45 Ca 0.19 -0.06 -0.14 0.00 -1.57 0.00 0.00 52.86 51.27 1bwy s ASN 45 Cb -0.16 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.25 40.09 1bwy s ASN 45 CO 0.10 -0.95 0.72 0.61 -2.57 0.00 0.00 177.10 175.02 1bwy n GLY 46 N -2.15 -1.25 0.36 0.66 0.00 -1.26 -0.89 105.19 100.66 1bwy n GLY 46 Ca 0.06 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.70 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 -4.52 1.57 -2.77 1.61 5.75 -1.26 -5.09 116.55 111.83 1bwy n ASP 47 Ca 0.01 -2.86 -0.13 0.00 -0.01 0.00 0.00 54.79 51.80 1bwy n ASP 47 Cb 0.12 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 39.81 1bwy n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bwy n THR 48 N -0.89 0.00 -3.55 2.12 -2.24 -0.07 -4.50 114.28 105.14 1bwy n THR 48 Ca 0.12 -1.52 -0.17 0.00 -2.27 0.00 0.00 64.05 60.20 1bwy n THR 48 Cb 0.70 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.84 1bwy n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bwy s VAL 49 N -2.71 0.01 -0.06 2.28 0.11 -0.04 -0.11 120.40 119.88 1bwy s VAL 49 Ca 0.25 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1bwy s VAL 49 Cb -0.01 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1bwy s VAL 49 CO 0.18 -0.04 -0.04 -0.51 -3.33 0.00 0.00 175.10 171.35 1bwy s ILE 50 N -1.26 0.60 -0.17 7.04 2.07 0.09 -0.50 121.20 129.08 1bwy s ILE 50 Ca -0.11 -0.12 -0.17 0.00 -1.41 0.00 0.00 60.65 58.84 1bwy s ILE 50 Cb -0.01 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 1bwy s ILE 50 CO 0.09 0.26 0.44 -0.63 -1.91 0.00 0.00 174.94 173.18 1bwy s ILE 51 N 1.19 5.19 -0.39 2.00 1.01 -0.36 -1.72 121.20 128.12 1bwy s ILE 51 Ca -0.06 0.82 0.01 0.00 0.00 0.00 0.00 60.65 61.41 1bwy s ILE 51 Cb -0.14 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.69 1bwy s ILE 51 CO -0.02 0.27 0.21 -0.75 0.00 0.00 0.00 174.94 174.66 1bwy s LYS 52 N 1.07 0.95 0.03 2.79 2.36 0.37 -0.76 119.74 126.54 1bwy s LYS 52 Ca 0.22 -1.62 -0.29 0.00 -2.55 0.00 0.00 55.97 51.72 1bwy s LYS 52 Cb -0.15 -1.93 -0.04 0.00 -1.05 0.00 0.00 37.83 34.66 1bwy s LYS 52 CO 0.09 -1.15 0.94 0.99 1.55 0.00 0.00 175.35 177.77 1bwy s THR 53 N 0.80 4.78 -0.25 3.43 2.01 0.13 -0.99 115.64 125.55 1bwy s THR 53 Ca 0.16 1.99 -0.00 0.00 0.31 0.00 0.00 61.69 64.15 1bwy s THR 53 Cb -0.23 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.03 1bwy s THR 53 CO -0.04 0.22 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.93 1bwy s GLN 54 N 0.66 2.68 -0.34 4.92 1.11 0.47 -0.88 119.66 128.28 1bwy s GLN 54 Ca 0.49 -1.07 0.15 0.00 0.01 0.00 0.00 55.36 54.94 1bwy s GLN 54 Cb -0.21 -2.93 0.41 0.00 -1.01 0.00 0.00 33.01 29.27 1bwy s GLN 54 CO 0.27 -0.44 0.88 0.45 0.01 0.00 0.00 175.29 176.47 1bwy n SER 55 N 4.61 1.03 0.00 5.90 2.88 -1.26 -0.72 113.62 126.06 1bwy n SER 55 Ca -0.16 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1bwy n SER 55 Cb 0.46 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.07 0.00 0.00 2.46 5.66 -1.26 -0.65 114.28 120.55 1bwy n THR 56 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1bwy n THR 56 Cb 0.76 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 1bwy n THR 56 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1bwy n PHE 57 N 11.72 0.00 -1.65 1.09 3.72 -1.26 -0.13 117.46 130.96 1bwy n PHE 57 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1bwy n PHE 57 Cb 0.00 -0.41 0.17 0.00 -0.94 0.00 0.00 39.48 38.29 1bwy n PHE 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bwy n LYS 58 N -1.41 2.07 -0.89 -1.08 4.76 0.18 -5.04 118.16 116.75 1bwy n LYS 58 Ca 0.00 -3.46 -0.31 0.00 -2.87 0.00 0.00 58.31 51.67 1bwy n LYS 58 Cb 0.06 -1.81 0.14 0.00 -1.84 0.00 0.00 35.03 31.58 1bwy n LYS 58 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1bwy s ASN 59 N -3.13 3.42 0.09 4.39 4.22 0.82 -4.10 114.94 120.64 1bwy s ASN 59 Ca 0.43 2.09 -0.26 0.00 -2.14 0.00 0.00 52.86 52.98 1bwy s ASN 59 Cb 0.39 -2.56 0.08 0.00 1.28 0.00 0.00 41.25 40.45 1bwy s ASN 59 CO -0.03 -2.77 0.73 0.42 -2.04 0.00 0.00 177.10 173.41 1bwy s THR 60 N -2.70 0.00 -0.20 0.54 -4.23 -0.06 -4.90 115.64 104.09 1bwy s THR 60 Ca 0.65 -0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1bwy s THR 60 Cb -0.21 -1.02 0.09 0.00 1.34 0.00 0.00 72.50 72.70 1bwy s THR 60 CO 0.57 0.00 0.43 -0.70 -0.54 0.00 0.00 174.62 174.38 1bwy s GLU 61 N -3.47 0.33 -0.08 3.99 2.12 -1.26 0.22 118.70 120.55 1bwy s GLU 61 Ca 0.03 1.06 -0.03 0.00 0.36 0.00 0.00 54.97 56.38 1bwy s GLU 61 Cb -0.01 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.78 1bwy s GLU 61 CO -0.11 -0.25 0.16 0.42 -0.54 0.00 0.00 175.26 174.94 1bwy s ILE 62 N 2.62 -0.18 0.08 -3.70 1.01 0.06 -5.01 121.20 116.08 1bwy s ILE 62 Ca -0.02 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 1bwy s ILE 62 Cb -0.12 -0.28 -0.06 0.00 0.01 0.00 0.00 42.46 42.01 1bwy s ILE 62 CO -0.13 0.12 0.50 -0.94 0.00 0.00 0.00 174.94 174.49 1bwy s SER 63 N 1.83 6.87 0.22 3.58 1.04 -1.26 -1.22 113.70 124.76 1bwy s SER 63 Ca -0.02 1.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.42 1bwy s SER 63 Cb -0.12 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.74 1bwy s SER 63 CO -0.06 0.22 0.41 2.22 0.98 0.00 0.00 173.24 177.01 1bwy n PHE 64 N 1.35 -1.57 -4.60 5.02 -1.74 0.35 -4.99 117.46 111.28 1bwy n PHE 64 Ca -0.09 -1.16 -0.25 0.00 -0.56 0.00 0.00 57.45 55.38 1bwy n PHE 64 Cb 0.52 0.47 -0.14 0.00 1.52 0.00 0.00 39.48 41.85 1bwy n PHE 64 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1bwy s LYS 65 N -2.17 1.36 -0.54 3.97 2.20 -1.26 -0.86 119.74 122.43 1bwy s LYS 65 Ca 0.11 -0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 54.70 1bwy s LYS 65 Cb -0.02 -1.49 -0.14 0.00 -1.51 0.00 0.00 37.83 34.67 1bwy s LYS 65 CO 0.08 0.38 2.61 1.47 -0.36 0.00 0.00 175.35 179.53 1bwy n LEU 66 N 1.75 4.95 0.00 5.43 -0.00 -1.26 -3.39 117.00 124.48 1bwy n LEU 66 Ca -0.17 -2.89 0.00 0.00 -0.00 0.00 0.00 56.01 52.94 1bwy n LEU 66 Cb 0.53 -1.14 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 1bwy n LEU 66 CO 0.23 1.12 0.00 0.61 -0.00 0.00 0.00 177.39 179.35 1bwy n GLY 67 N 3.12 -0.82 3.55 1.47 0.00 -0.40 -4.11 105.19 108.01 1bwy n GLY 67 Ca 0.43 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 1bwy n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s VAL 68 N 0.00 0.00 0.07 1.61 0.11 -1.20 -5.03 120.40 115.97 1bwy s VAL 68 Ca 0.00 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 58.84 1bwy s VAL 68 Cb 0.00 -1.23 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 1bwy s VAL 68 CO 0.00 0.00 0.29 -1.83 -3.33 0.00 0.00 175.10 170.23 1bwy s GLU 69 N -3.34 3.55 -0.10 1.54 -1.05 -1.26 -2.59 118.70 115.45 1bwy s GLU 69 Ca 0.06 -0.19 -0.21 0.00 -0.15 0.00 0.00 54.97 54.48 1bwy s GLU 69 Cb -0.01 -2.98 0.05 0.00 -0.44 0.00 0.00 34.13 30.74 1bwy s GLU 69 CO -0.07 0.57 0.51 -0.59 0.95 0.00 0.00 175.26 176.63 1bwy s PHE 70 N -1.49 -0.49 0.19 4.83 -0.71 0.55 -4.98 117.98 115.88 1bwy s PHE 70 Ca 0.35 1.01 -0.30 0.00 -1.04 0.00 0.00 56.93 56.94 1bwy s PHE 70 Cb -0.13 0.23 -0.09 0.00 -1.21 0.00 0.00 43.02 41.83 1bwy s PHE 70 CO 0.23 -0.41 1.35 0.34 -1.34 0.00 0.00 175.22 175.39 1bwy s ASP 71 N -0.62 6.84 -0.06 1.98 2.15 -1.26 -0.84 116.67 124.85 1bwy s ASP 71 Ca -0.07 2.44 -0.03 0.00 0.43 0.00 0.00 52.55 55.31 1bwy s ASP 71 Cb -0.03 -2.61 0.04 0.00 -0.30 0.00 0.00 42.92 40.02 1bwy s ASP 71 CO 0.05 -0.59 0.14 -0.70 -0.17 0.00 0.00 175.17 173.90 1bwy s GLU 72 N 0.09 0.10 -0.25 4.34 2.12 0.29 -4.88 118.70 120.51 1bwy s GLU 72 Ca 0.59 0.35 -0.09 0.00 0.36 0.00 0.00 54.97 56.18 1bwy s GLU 72 Cb -0.38 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 1bwy s GLU 72 CO 0.37 -0.15 0.12 -0.08 -0.54 0.00 0.00 175.26 174.99 1bwy s THR 73 N 1.04 4.82 0.58 -1.70 -1.32 -1.26 0.27 115.64 118.08 1bwy s THR 73 Ca -0.08 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1bwy s THR 73 Cb -0.10 -3.26 0.05 0.00 -1.51 0.00 0.00 72.50 67.68 1bwy s THR 73 CO -0.05 0.32 0.82 0.28 -2.21 0.00 0.00 174.62 173.78 1bwy s THR 74 N 1.47 2.55 -1.20 5.08 -1.32 -0.73 -4.94 115.64 116.54 1bwy s THR 74 Ca 0.06 -0.66 0.07 0.00 -1.21 0.00 0.00 61.69 59.95 1bwy s THR 74 Cb -0.15 -2.89 0.08 0.00 -1.51 0.00 0.00 72.50 68.04 1bwy s THR 74 CO 0.06 0.00 1.14 0.00 -2.21 0.00 0.00 174.62 173.61 1bwy n ALA 75 N -2.43 1.39 -0.35 11.08 0.00 -1.26 0.13 120.51 129.07 1bwy n ALA 75 Ca 0.10 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1bwy n ALA 75 Cb 0.60 -1.11 0.25 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.40 3.60 -4.21 0.00 5.75 -1.26 -4.82 116.55 114.21 1bwy n ASP 76 Ca 0.02 -2.10 -0.32 0.00 -0.01 0.00 0.00 54.79 52.39 1bwy n ASP 76 Cb 0.06 -0.39 -0.06 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 0.99 -0.55 -4.61 -1.12 2.03 0.12 -4.96 116.55 108.45 1bwy n ASP 77 Ca 0.19 -1.14 -0.43 0.00 0.52 0.00 0.00 54.79 53.93 1bwy n ASP 77 Cb 0.58 -2.27 -0.02 0.00 -0.72 0.00 0.00 41.12 38.69 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 -7.02 3.57 -1.14 -0.67 0.52 -1.25 -4.89 118.95 108.07 1bwy s ARG 78 Ca 0.24 1.24 -0.18 0.00 -0.52 0.00 0.00 55.73 56.52 1bwy s ARG 78 Cb -0.13 -4.07 0.11 0.00 0.52 0.00 0.00 34.95 31.38 1bwy s ARG 78 CO 0.96 -1.57 1.45 0.21 0.02 0.00 0.00 175.30 176.36 1bwy s LYS 79 N 5.06 3.87 0.92 3.54 2.20 -1.26 -1.78 119.74 132.28 1bwy s LYS 79 Ca 0.69 -1.98 -0.13 0.00 -0.36 0.00 0.00 55.97 54.19 1bwy s LYS 79 Cb -0.19 -5.22 0.20 0.00 -1.51 0.00 0.00 37.83 31.11 1bwy s LYS 79 CO 0.32 -1.98 1.27 0.14 -0.36 0.00 0.00 175.35 174.73 1bwy s VAL 80 N 3.16 2.02 -0.15 4.02 -7.23 0.14 -4.80 120.40 117.55 1bwy s VAL 80 Ca 0.44 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1bwy s VAL 80 Cb -0.01 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 34.07 1bwy s VAL 80 CO -0.02 0.00 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.89 1bwy s LYS 81 N -5.76 2.27 0.20 4.82 2.20 0.33 -0.54 119.74 123.26 1bwy s LYS 81 Ca 0.73 -0.59 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1bwy s LYS 81 Cb -0.03 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 1bwy s LYS 81 CO 0.51 -0.26 0.31 -1.12 -0.36 0.00 0.00 175.35 174.43 1bwy s SER 82 N 1.48 6.23 -0.07 1.43 0.01 -0.02 -1.08 113.70 121.68 1bwy s SER 82 Ca 0.04 0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.35 1bwy s SER 82 Cb -0.13 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.31 1bwy s SER 82 CO -0.10 -0.01 0.12 -0.51 0.41 0.00 0.00 173.24 173.15 1bwy s ILE 83 N -1.88 -0.20 -0.15 1.44 -1.16 0.12 -0.33 121.20 119.04 1bwy s ILE 83 Ca 0.34 0.36 -0.04 0.00 -0.51 0.00 0.00 60.65 60.80 1bwy s ILE 83 Cb -0.10 -0.24 -0.03 0.00 0.61 0.00 0.00 42.46 42.70 1bwy s ILE 83 CO 0.28 0.15 -0.01 -0.69 -2.81 0.00 0.00 174.94 171.86 1bwy s VAL 84 N 2.15 4.15 -0.14 4.00 1.01 -1.07 -0.62 120.40 129.89 1bwy s VAL 84 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1bwy s VAL 84 Cb -0.12 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1bwy s VAL 84 CO -0.05 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 175.85 1bwy s THR 85 N 0.18 1.40 -0.59 3.92 -4.23 -0.46 -1.27 115.64 114.59 1bwy s THR 85 Ca -0.00 -0.53 -0.24 0.00 -1.18 0.00 0.00 61.69 59.74 1bwy s THR 85 Cb -0.13 -1.34 0.05 0.00 1.34 0.00 0.00 72.50 72.41 1bwy s THR 85 CO 0.02 0.43 0.99 -0.22 -0.54 0.00 0.00 174.62 175.30 1bwy s LEU 86 N 1.56 4.05 0.00 4.79 0.20 -1.26 -0.27 118.68 127.76 1bwy s LEU 86 Ca 0.05 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.39 1bwy s LEU 86 Cb -0.13 -2.73 0.00 0.00 -0.43 0.00 0.00 46.19 42.90 1bwy s LEU 86 CO -0.10 -1.34 0.00 -0.90 -0.29 0.00 0.00 176.35 173.72 1bwy n ASP 87 N 7.73 0.00 -2.68 3.68 5.68 0.02 -4.92 116.55 126.06 1bwy n ASP 87 Ca 0.01 -0.75 -0.19 0.00 -0.50 0.00 0.00 54.79 53.35 1bwy n ASP 87 Cb 0.47 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 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 5.00 3.08 0.00 6.12 0.00 -1.26 -3.90 105.19 114.22 1bwy n GLY 88 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 3.15 0.03 3.27 -0.02 0.00 -1.26 -5.16 105.19 105.20 1bwy n GLY 89 Ca 0.46 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.49 1bwy n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s LYS 90 N 0.00 1.09 -0.57 1.61 0.00 -1.25 -4.75 119.74 115.87 1bwy s LYS 90 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 55.97 54.57 1bwy s LYS 90 Cb 0.00 -1.18 0.07 0.00 0.00 0.00 0.00 37.83 36.73 1bwy s LYS 90 CO 0.00 0.25 0.74 -0.48 0.00 0.00 0.00 175.35 175.86 1bwy s LEU 91 N -2.18 4.94 -0.84 2.77 0.05 0.55 -0.80 118.68 123.16 1bwy s LEU 91 Ca 0.08 -1.05 -0.25 0.00 0.05 0.00 0.00 54.13 52.95 1bwy s LEU 91 Cb -0.08 -2.43 0.04 0.00 -2.05 0.00 0.00 46.19 41.67 1bwy s LEU 91 CO 0.04 -1.09 1.33 -0.69 -0.55 0.00 0.00 176.35 175.39 1bwy s VAL 92 N 3.01 3.82 -0.65 1.48 1.01 0.63 -0.83 120.40 128.87 1bwy s VAL 92 Ca 0.16 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 1bwy s VAL 92 Cb -0.20 -4.96 0.08 0.00 0.00 0.00 0.00 36.38 31.29 1bwy s VAL 92 CO 0.10 -1.87 0.93 -2.28 0.00 0.00 0.00 175.10 171.98 1bwy s HIS 93 N 5.38 2.72 0.23 5.22 5.04 -1.24 -1.35 115.29 131.29 1bwy s HIS 93 Ca 0.39 -0.62 -0.25 0.00 -1.54 0.00 0.00 55.06 53.04 1bwy s HIS 93 Cb -0.05 -4.25 -0.09 0.00 0.04 0.00 0.00 32.58 28.23 1bwy s HIS 93 CO 0.05 -1.60 0.83 0.08 -2.34 0.00 0.00 174.74 171.76 1bwy s VAL 94 N 3.86 4.34 -0.31 0.89 1.01 0.21 -0.25 120.40 130.14 1bwy s VAL 94 Ca 0.21 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 1bwy s VAL 94 Cb -0.18 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.23 1bwy s VAL 94 CO 0.09 0.36 0.09 -1.58 0.00 0.00 0.00 175.10 174.07 1bwy s GLN 95 N -1.56 0.75 0.22 2.72 0.74 0.34 -0.70 119.66 122.17 1bwy s GLN 95 Ca 0.42 -1.10 0.09 0.00 0.05 0.00 0.00 55.36 54.82 1bwy s GLN 95 Cb -0.21 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 1bwy s GLN 95 CO 0.25 -0.98 -0.07 0.21 -0.55 0.00 0.00 175.29 174.15 1bwy s LYS 96 N 1.59 2.10 0.23 1.67 2.20 -0.24 -0.36 119.74 126.92 1bwy s LYS 96 Ca 0.10 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1bwy s LYS 96 Cb -0.17 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1bwy s LYS 96 CO -0.24 0.40 0.00 -2.67 -0.36 0.00 0.00 175.35 172.48 1bwy n TRP 97 N -0.36 -2.08 0.00 4.03 2.14 -1.18 -0.52 117.44 119.48 1bwy n TRP 97 Ca -0.09 0.39 0.00 0.00 2.07 0.00 0.00 57.50 59.87 1bwy n TRP 97 Cb 0.57 0.67 0.00 0.00 -0.81 0.00 0.00 31.31 31.74 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 -3.25 0.00 0.17 -0.67 6.94 -1.26 -4.88 115.26 112.31 1bwy n ASN 98 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.69 1bwy n ASN 98 Cb 0.00 0.00 0.43 0.00 -2.36 0.00 0.00 39.78 37.85 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 -2.80 4.83 0.00 -2.04 -3.43 103.07 99.62 1bwy h GLY 99 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1bwy h GLY 99 CO 0.00 0.00 -0.67 1.20 0.00 0.00 0.00 176.54 177.07 1bwy s GLN 100 N -3.30 1.02 0.05 4.80 1.11 -1.26 -5.17 119.66 116.91 1bwy s GLN 100 Ca 0.06 -1.47 0.02 0.00 0.01 0.00 0.00 55.36 53.98 1bwy s GLN 100 Cb 0.09 -0.18 -0.03 0.00 -1.01 0.00 0.00 33.01 31.88 1bwy s GLN 100 CO 0.55 -0.12 -0.08 -2.00 0.01 0.00 0.00 175.29 173.65 1bwy s GLU 101 N -3.91 0.58 0.19 2.91 -6.30 -1.26 -3.08 118.70 107.81 1bwy s GLU 101 Ca 0.21 -0.85 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 1bwy s GLU 101 Cb 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 34.13 33.86 1bwy s GLU 101 CO 0.02 0.04 0.06 0.95 0.02 0.00 0.00 175.26 176.35 1bwy s THR 102 N -1.70 0.37 0.09 -1.70 -4.23 0.51 -4.14 115.64 104.84 1bwy s THR 102 Ca -0.07 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1bwy s THR 102 Cb -0.08 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1bwy s THR 102 CO -0.00 -0.28 -0.10 -0.94 -0.54 0.00 0.00 174.62 172.76 1bwy s SER 103 N -3.17 1.35 -0.43 3.99 1.04 -0.06 -0.51 113.70 115.91 1bwy s SER 103 Ca 0.30 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1bwy s SER 103 Cb 0.07 0.02 0.26 0.00 0.10 0.00 0.00 66.02 66.46 1bwy s SER 103 CO 0.07 -0.26 0.69 0.00 0.98 0.00 0.00 173.24 174.72 1bwy n LEU 104 N 0.67 -1.03 -4.73 2.42 -0.00 0.65 -0.35 117.00 114.63 1bwy n LEU 104 Ca -0.17 -4.16 -0.42 0.00 -0.00 0.00 0.00 56.01 51.26 1bwy n LEU 104 Cb 0.57 0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 44.70 1bwy n LEU 104 CO 0.26 2.06 1.06 0.54 -0.00 0.00 0.00 177.39 181.31 1bwy s VAL 105 N -0.50 3.07 0.16 1.47 0.11 -1.18 -3.68 120.40 119.84 1bwy s VAL 105 Ca 0.34 0.83 0.10 0.00 -2.93 0.00 0.00 61.98 60.31 1bwy s VAL 105 Cb 0.21 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 1bwy s VAL 105 CO -0.16 0.10 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.37 1bwy s ARG 106 N 0.39 1.33 0.14 1.54 0.52 -0.01 -2.89 118.95 119.97 1bwy s ARG 106 Ca 0.61 -1.39 -0.21 0.00 -0.52 0.00 0.00 55.73 54.23 1bwy s ARG 106 Cb -0.38 -1.55 0.06 0.00 0.52 0.00 0.00 34.95 33.59 1bwy s ARG 106 CO 0.36 0.34 0.53 -2.00 0.02 0.00 0.00 175.30 174.54 1bwy s GLU 107 N -2.50 1.19 -0.16 3.54 2.12 0.02 -0.33 118.70 122.57 1bwy s GLU 107 Ca 0.15 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1bwy s GLU 107 Cb -0.08 0.54 0.02 0.00 0.26 0.00 0.00 34.13 34.87 1bwy s GLU 107 CO 0.07 -0.50 -0.18 1.41 -0.54 0.00 0.00 175.26 175.52 1bwy s MET 108 N -3.67 2.73 0.36 4.30 -2.45 -1.26 -0.19 119.30 119.12 1bwy s MET 108 Ca 0.01 -0.73 0.04 0.00 -1.25 0.00 0.00 55.69 53.76 1bwy s MET 108 Cb 0.00 -2.37 -0.05 0.00 1.25 0.00 0.00 34.83 33.66 1bwy s MET 108 CO -0.12 -0.19 0.07 0.14 1.05 0.00 0.00 175.02 175.97 1bwy s VAL 109 N 1.28 1.09 0.00 10.11 -7.23 -1.24 -5.00 120.40 119.41 1bwy s VAL 109 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1bwy s VAL 109 Cb -0.13 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1bwy s VAL 109 CO -0.10 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.02 1bwy n ASP 110 N -0.87 0.00 -0.56 4.85 2.03 -1.26 -2.69 116.55 118.05 1bwy n ASP 110 Ca -0.04 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.29 1bwy n ASP 110 Cb 0.66 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.54 3.21 0.27 0.00 -1.26 -5.06 105.19 103.88 1bwy n GLY 111 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.64 2.32 -1.23 1.61 1.02 -1.09 -4.37 119.74 117.36 1bwy s LYS 112 Ca 0.12 -0.79 -0.21 0.00 0.02 0.00 0.00 55.97 55.11 1bwy s LYS 112 Cb 0.12 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 1bwy s LYS 112 CO -0.02 0.30 1.86 -0.11 -0.92 0.00 0.00 175.35 176.46 1bwy n LEU 113 N 3.10 3.87 -4.73 3.17 7.94 0.34 -3.62 117.00 127.07 1bwy n LEU 113 Ca -0.18 -3.48 -0.42 0.00 -1.11 0.00 0.00 56.01 50.82 1bwy n LEU 113 Cb 0.52 -1.74 -0.03 0.00 0.53 0.00 0.00 43.42 42.71 1bwy n LEU 113 CO 0.26 -1.00 1.18 -0.63 -1.11 0.00 0.00 177.39 176.09 1bwy s ILE 114 N 8.21 2.57 0.06 1.96 1.01 0.74 -3.03 121.20 132.71 1bwy s ILE 114 Ca 0.62 0.44 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 1bwy s ILE 114 Cb 0.02 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1bwy s ILE 114 CO 0.11 0.05 0.09 -1.48 0.00 0.00 0.00 174.94 173.71 1bwy s LEU 115 N 0.36 1.89 -0.09 2.97 2.34 -0.50 -0.80 118.68 124.84 1bwy s LEU 115 Ca 0.65 -0.72 0.02 0.00 0.06 0.00 0.00 54.13 54.14 1bwy s LEU 115 Cb -0.43 0.63 0.01 0.00 -0.56 0.00 0.00 46.19 45.84 1bwy s LEU 115 CO 0.38 -0.61 -0.15 0.28 -1.06 0.00 0.00 176.35 175.19 1bwy s THR 116 N -3.46 1.40 -0.37 5.48 -1.32 -1.14 -1.21 115.64 115.02 1bwy s THR 116 Ca 0.02 -0.60 -0.07 0.00 -1.21 0.00 0.00 61.69 59.83 1bwy s THR 116 Cb 0.04 -1.28 0.06 0.00 -1.51 0.00 0.00 72.50 69.81 1bwy s THR 116 CO -0.09 0.42 0.17 -0.22 -2.21 0.00 0.00 174.62 172.69 1bwy s LEU 117 N 0.86 4.72 -0.02 9.08 0.20 0.26 -3.12 118.68 130.66 1bwy s LEU 117 Ca -0.10 -1.40 0.06 0.00 0.69 0.00 0.00 54.13 53.38 1bwy s LEU 117 Cb -0.15 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.70 1bwy s LEU 117 CO 0.01 -0.43 -0.19 0.42 -0.29 0.00 0.00 176.35 175.87 1bwy s THR 118 N 1.36 1.56 0.00 3.68 -4.23 0.53 -0.43 115.64 118.11 1bwy s THR 118 Ca 0.01 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1bwy s THR 118 Cb -0.21 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 1bwy s THR 118 CO 0.01 0.44 -0.08 -2.28 -0.54 0.00 0.00 174.62 172.18 1bwy s HIS 119 N -0.32 0.70 -0.79 3.99 5.04 0.45 -0.88 115.29 123.49 1bwy s HIS 119 Ca 0.04 -0.17 -0.24 0.00 -1.54 0.00 0.00 55.06 53.15 1bwy s HIS 119 Cb -0.09 -0.44 -0.16 0.00 0.04 0.00 0.00 32.58 31.93 1bwy s HIS 119 CO 0.00 -0.01 2.39 0.41 -2.34 0.00 0.00 174.74 175.19 1bwy n GLY 120 N 2.70 -0.16 0.00 1.59 0.00 -1.26 -0.78 105.19 107.28 1bwy n GLY 120 Ca -0.14 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 8.33 0.00 -3.78 2.61 -1.04 -1.26 -5.04 114.28 114.10 1bwy n THR 121 Ca 0.49 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 68.83 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 -0.25 -0.65 -0.04 2.41 0.00 0.04 -5.10 121.76 118.17 1bwy s ALA 122 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 1bwy s ALA 122 Cb 0.00 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1bwy s ALA 122 CO 0.00 -0.32 0.09 0.54 0.00 0.00 0.00 175.76 176.07 1bwy s VAL 123 N -1.90 -0.03 -0.21 0.00 0.11 -1.26 -0.41 120.40 116.70 1bwy s VAL 123 Ca -0.10 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 1bwy s VAL 123 Cb -0.03 -0.15 0.08 0.00 -1.53 0.00 0.00 36.38 34.75 1bwy s VAL 123 CO 0.00 0.04 0.14 0.00 -3.33 0.00 0.00 175.10 171.95 1bwy n THR 125 N 5.28 2.98 -3.58 0.00 -2.24 -1.26 -0.57 114.28 114.88 1bwy n THR 125 Ca -0.06 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1bwy n THR 125 Cb 0.47 -1.65 -0.05 0.00 -2.10 0.00 0.00 70.33 66.99 1bwy n THR 125 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1bwy s ARG 126 N -2.46 1.02 0.08 -0.78 3.52 -0.35 -3.29 118.95 116.70 1bwy s ARG 126 Ca 0.64 -0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 55.76 1bwy s ARG 126 Cb -0.46 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.45 1bwy s ARG 126 CO 0.55 -0.37 0.55 -0.08 -0.81 0.00 0.00 175.30 175.14 1bwy s THR 127 N -2.47 0.02 0.07 4.11 -1.32 0.32 -1.41 115.64 114.96 1bwy s THR 127 Ca -0.05 -0.18 0.04 0.00 -1.21 0.00 0.00 61.69 60.29 1bwy s THR 127 Cb -0.01 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1bwy s THR 127 CO -0.02 -0.10 -0.12 -0.31 -2.21 0.00 0.00 174.62 171.86 1bwy s TYR 128 N -2.90 1.06 -0.09 9.09 1.51 -1.17 -1.33 117.35 123.53 1bwy s TYR 128 Ca -0.03 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1bwy s TYR 128 Cb -0.00 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1bwy s TYR 128 CO -0.05 0.02 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.08 1bwy s GLU 129 N -1.82 2.93 -0.02 -0.62 2.02 0.27 -0.50 118.70 120.96 1bwy s GLU 129 Ca -0.03 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 1bwy s GLU 129 Cb -0.09 -2.56 -0.06 0.00 0.10 0.00 0.00 34.13 31.52 1bwy s GLU 129 CO 0.02 0.48 1.62 0.21 0.02 0.00 0.00 175.26 177.61 1bwy s LYS 130 N -0.34 4.20 -0.06 1.61 2.20 -1.26 -0.53 119.74 125.56 1bwy s LYS 130 Ca 0.04 2.19 -0.07 0.00 -0.36 0.00 0.00 55.97 57.77 1bwy s LYS 130 Cb -0.13 -3.84 -0.28 0.00 -1.51 0.00 0.00 37.83 32.07 1bwy s LYS 130 CO 0.02 -0.78 0.62 -0.56 -0.36 0.00 0.00 175.35 174.30 1bwy h GLN 131 N 9.01 0.30 0.00 4.03 3.07 -1.18 -3.48 115.11 126.86 1bwy h GLN 131 Ca -0.40 -0.52 0.00 0.00 0.09 0.00 0.00 58.65 57.82 1bwy h GLN 131 Cb 1.18 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.94 1bwy h GLN 131 CO 0.94 1.20 0.00 0.00 0.09 0.00 0.00 178.83 181.06