#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 3.69 0.00 6.55 9.92 -1.26 -1.16 116.55 134.28 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 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwy n ALA 3 N 4.53 0.00 -0.18 2.24 0.00 -1.26 -4.96 120.51 120.87 1bwy n ALA 3 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.83 1bwy n ALA 3 Cb 0.11 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.88 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 0.82 -1.02 0.00 0.04 -1.54 -3.41 116.94 111.82 1bwy h PHE 4 Ca 0.00 0.02 -0.56 0.00 2.80 0.00 0.00 57.97 60.23 1bwy h PHE 4 Cb 0.00 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 1bwy h PHE 4 CO 0.00 0.47 1.58 1.55 -0.60 0.00 0.00 178.31 181.30 1bwy n VAL 5 N -4.46 0.05 -0.53 -0.55 3.14 -1.25 -4.56 118.33 110.17 1bwy n VAL 5 Ca 0.09 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1bwy n VAL 5 Cb 0.15 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 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 6.34 -0.68 3.55 7.55 0.00 0.88 -4.99 105.19 117.85 1bwy n GLY 6 Ca 0.46 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.75 4.43 0.22 2.61 2.01 -1.26 -1.20 115.64 120.70 1bwy s THR 7 Ca 0.00 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1bwy s THR 7 Cb 0.00 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1bwy s THR 7 CO 0.00 -0.94 0.40 0.26 -0.69 0.00 0.00 174.62 173.65 1bwy s TRP 8 N 3.85 3.48 -0.09 4.92 0.52 0.40 -0.81 118.94 131.21 1bwy s TRP 8 Ca 0.35 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.79 1bwy s TRP 8 Cb -0.11 -1.82 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1bwy s TRP 8 CO 0.24 0.36 -0.19 0.21 0.02 0.00 0.00 176.95 177.59 1bwy s LYS 9 N -3.52 2.44 0.03 4.98 2.20 0.96 -0.56 119.74 126.27 1bwy s LYS 9 Ca 0.38 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1bwy s LYS 9 Cb -0.11 -1.90 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 1bwy s LYS 9 CO 0.30 0.10 0.98 -1.17 -0.36 0.00 0.00 175.35 175.20 1bwy s LEU 10 N 0.52 4.40 -0.26 5.43 2.96 0.23 -0.19 118.68 131.77 1bwy s LEU 10 Ca -0.16 1.70 -0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1bwy s LEU 10 Cb -0.17 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.79 1bwy s LEU 10 CO 0.06 -0.21 -0.26 0.55 -1.32 0.00 0.00 176.35 175.17 1bwy n VAL 11 N 3.61 1.46 -1.05 1.68 3.14 -0.09 -4.58 118.33 122.50 1bwy n VAL 11 Ca 0.05 -0.51 0.02 0.00 -2.96 0.00 0.00 64.34 60.94 1bwy n VAL 11 Cb 0.50 -1.53 -0.01 0.00 -1.06 0.00 0.00 33.84 31.75 1bwy n VAL 11 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1bwy n ASP 12 N -3.51 -5.67 -0.86 6.55 8.00 -1.23 -4.97 116.55 114.86 1bwy n ASP 12 Ca -0.47 1.23 -0.05 0.00 0.71 0.00 0.00 54.79 56.21 1bwy n ASP 12 Cb 0.95 -3.16 -0.04 0.00 -0.02 0.00 0.00 41.12 38.85 1bwy n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bwy n SER 13 N -2.46 -0.66 -2.94 -2.24 2.88 -1.26 -4.88 113.62 102.06 1bwy n SER 13 Ca -0.01 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.21 1bwy n SER 13 Cb 0.35 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1bwy n SER 13 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bwy s LYS 14 N 0.00 0.58 -1.00 -1.46 2.20 -1.26 -5.00 119.74 113.80 1bwy s LYS 14 Ca 0.00 -0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1bwy s LYS 14 Cb 0.01 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1bwy s LYS 14 CO -0.00 -0.80 0.84 0.09 -0.36 0.00 0.00 175.35 175.12 1bwy n ASN 15 N 3.75 -2.42 -0.05 1.43 3.02 -1.26 -1.44 115.26 118.30 1bwy n ASN 15 Ca 0.10 -0.53 -0.01 0.00 -0.03 0.00 0.00 54.58 54.11 1bwy n ASN 15 Cb 0.60 -4.43 -0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -1.54 0.00 -0.25 3.10 3.57 -1.94 -3.17 116.94 116.70 1bwy h PHE 16 Ca -0.50 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.02 1bwy h PHE 16 Cb 1.29 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 1bwy h PHE 16 CO 0.36 0.00 -0.21 0.38 -2.23 0.00 0.00 178.31 176.61 1bwy h ASP 17 N -0.94 -0.74 -0.02 0.41 2.03 -1.93 -1.36 116.42 113.88 1bwy h ASP 17 Ca 0.00 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1bwy h ASP 17 Cb 0.11 0.31 -0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1bwy h ASP 17 CO 0.00 -0.12 -0.01 -0.67 -1.03 0.00 0.00 179.24 177.41 1bwy n ASP 18 N -3.75 -0.02 -0.01 4.15 2.03 -1.26 -0.46 116.55 117.23 1bwy n ASP 18 Ca -0.00 0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 1bwy n ASP 18 Cb 0.11 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.44 1bwy n ASP 18 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bwy h TYR 19 N 0.00 0.13 -0.43 -0.67 3.20 -1.22 0.43 116.97 118.41 1bwy h TYR 19 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1bwy h TYR 19 Cb 0.01 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1bwy h TYR 19 CO -0.02 0.27 0.21 0.52 -1.64 0.00 0.00 178.16 177.50 1bwy h MET 20 N -0.06 0.61 -0.39 1.82 2.86 -1.03 0.11 114.93 118.85 1bwy h MET 20 Ca 0.03 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1bwy h MET 20 Cb 0.20 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1bwy h MET 20 CO -0.00 0.51 0.27 -0.22 1.06 0.00 0.00 176.91 178.53 1bwy h LYS 21 N 0.55 0.15 0.00 1.72 3.64 -0.42 0.12 116.57 122.33 1bwy h LYS 21 Ca 0.15 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1bwy h LYS 21 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1bwy h LYS 21 CO -0.02 0.10 -0.42 1.03 -2.27 0.00 0.00 179.45 177.87 1bwy h SER 22 N 0.16 0.00 0.24 4.20 0.87 0.34 -3.39 113.55 115.97 1bwy h SER 22 Ca 0.18 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1bwy h SER 22 Cb 0.51 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1bwy h SER 22 CO -0.03 0.83 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.94 1bwy h LEU 23 N -1.00 0.00 -0.08 2.23 3.38 -0.72 -3.46 115.31 115.66 1bwy h LEU 23 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bwy h LEU 23 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1bwy h LEU 23 CO -0.03 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1bwy n GLY 24 N -0.90 0.86 0.09 0.83 0.00 -0.28 -4.94 105.19 100.85 1bwy n GLY 24 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1bwy n GLY 24 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bwy h VAL 25 N 0.00 0.73 0.00 1.61 2.07 -1.63 -3.47 116.25 115.56 1bwy h VAL 25 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1bwy h VAL 25 Cb 0.71 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1bwy h VAL 25 CO 0.00 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.62 1bwy n GLY 26 N 1.45 -1.46 3.50 2.17 0.00 0.25 -4.41 105.19 106.69 1bwy n GLY 26 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1bwy n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bwy n PHE 27 N 0.00 -0.52 0.00 1.61 3.01 -1.26 -0.26 117.46 120.04 1bwy n PHE 27 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1bwy n PHE 27 Cb 0.00 -1.10 0.00 0.00 -0.01 0.00 0.00 39.48 38.37 1bwy n PHE 27 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bwy n ALA 28 N -2.50 0.00 -0.03 4.37 0.00 -1.26 -4.96 120.51 116.14 1bwy n ALA 28 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1bwy n ALA 28 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1bwy n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bwy h THR 29 N 0.00 1.25 0.00 0.00 1.35 -0.84 -3.20 112.91 111.47 1bwy h THR 29 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1bwy h THR 29 Cb 0.00 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1bwy h THR 29 CO 0.00 0.22 0.50 0.08 -0.25 0.00 0.00 175.52 176.07 1bwy h ARG 30 N -0.13 0.00 0.00 4.72 0.11 -1.79 0.78 114.38 118.07 1bwy h ARG 30 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1bwy h ARG 30 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1bwy h ARG 30 CO 0.00 0.00 -1.00 0.00 0.10 0.00 0.00 179.97 179.07 1bwy n GLN 31 N -2.61 1.76 0.02 0.08 10.64 -1.21 -4.83 117.38 121.23 1bwy n GLN 31 Ca -0.01 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1bwy n GLN 31 Cb 0.53 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.70 1bwy n GLN 31 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1bwy n VAL 32 N -1.56 0.00 -0.83 -0.39 0.31 0.05 -4.87 118.33 111.04 1bwy n VAL 32 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.09 1bwy n VAL 32 Cb 0.27 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.12 1bwy n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 33 N 1.02 3.25 0.75 2.92 0.00 0.04 -0.81 105.19 112.35 1bwy n GLY 33 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1bwy n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bwy n ASN 34 N 4.26 0.00 -0.01 1.61 6.94 -1.21 -3.59 115.26 123.26 1bwy n ASN 34 Ca 0.49 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 55.16 1bwy n ASN 34 Cb 0.15 0.19 -0.15 0.00 -2.36 0.00 0.00 39.78 37.61 1bwy n ASN 34 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1bwy n MET 35 N -2.00 0.46 -1.28 -3.83 0.00 -0.71 -4.27 117.12 105.49 1bwy n MET 35 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 57.70 57.16 1bwy n MET 35 Cb 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 33.22 31.64 1bwy n MET 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1bwy n THR 36 N -2.03 1.67 -3.69 1.12 5.66 0.01 -4.38 114.28 112.65 1bwy n THR 36 Ca -0.01 -1.53 -0.25 0.00 -3.05 0.00 0.00 64.05 59.21 1bwy n THR 36 Cb 0.50 -2.26 0.01 0.00 -1.55 0.00 0.00 70.33 67.02 1bwy n THR 36 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bwy n LYS 37 N 7.34 -1.24 -1.78 1.09 5.02 -1.26 -4.80 118.16 122.53 1bwy n LYS 37 Ca 0.48 0.72 -0.40 0.00 -2.02 0.00 0.00 58.31 57.09 1bwy n LYS 37 Cb 0.42 -3.25 -0.03 0.00 -0.02 0.00 0.00 35.03 32.15 1bwy n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bwy s PRO 38 N -5.19 2.79 -0.08 1.97 0.04 -1.26 -4.82 135.00 128.45 1bwy s PRO 38 Ca 0.17 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1bwy s PRO 38 Cb -0.07 -4.39 -0.03 0.00 0.04 0.00 0.00 34.50 30.04 1bwy s PRO 38 CO 0.88 -2.50 -0.04 0.99 0.04 0.00 0.00 177.00 176.37 1bwy s THR 39 N 9.20 3.98 -0.26 1.26 2.01 0.16 -0.60 115.64 131.39 1bwy s THR 39 Ca 0.88 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1bwy s THR 39 Cb -0.22 -2.65 0.07 0.00 0.01 0.00 0.00 72.50 69.71 1bwy s THR 39 CO 0.29 0.60 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.92 1bwy s THR 40 N -0.77 1.48 0.11 -0.82 2.01 0.27 0.17 115.64 118.09 1bwy s THR 40 Ca 0.12 -1.39 -0.31 0.00 0.31 0.00 0.00 61.69 60.42 1bwy s THR 40 Cb -0.11 -1.87 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 1bwy s THR 40 CO 0.02 -0.28 1.29 -0.63 -0.69 0.00 0.00 174.62 174.33 1bwy s ILE 41 N 1.38 3.60 -0.07 1.82 1.01 -1.02 -0.45 121.20 127.48 1bwy s ILE 41 Ca -0.01 1.18 0.05 0.00 0.00 0.00 0.00 60.65 61.87 1bwy s ILE 41 Cb -0.19 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 1bwy s ILE 41 CO -0.10 0.11 -0.22 -0.63 0.00 0.00 0.00 174.94 174.10 1bwy s ILE 42 N 0.89 1.86 -0.00 2.92 1.01 -0.34 -0.60 121.20 126.93 1bwy s ILE 42 Ca 0.60 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1bwy s ILE 42 Cb -0.34 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1bwy s ILE 42 CO 0.31 0.52 -0.01 -0.70 0.00 0.00 0.00 174.94 175.06 1bwy s GLU 43 N 0.10 0.08 0.27 2.79 2.12 -0.03 -0.08 118.70 123.95 1bwy s GLU 43 Ca -0.09 -0.03 -0.29 0.00 0.36 0.00 0.00 54.97 54.91 1bwy s GLU 43 Cb -0.15 -0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.06 1bwy s GLU 43 CO 0.05 0.01 1.19 0.54 -0.54 0.00 0.00 175.26 176.51 1bwy s VAL 44 N 0.02 3.28 0.30 3.70 0.11 -1.26 -0.43 120.40 126.12 1bwy s VAL 44 Ca -0.00 1.22 0.08 0.00 -2.93 0.00 0.00 61.98 60.35 1bwy s VAL 44 Cb -0.01 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 1bwy s VAL 44 CO -0.00 0.27 -0.09 0.21 -3.33 0.00 0.00 175.10 172.16 1bwy s ASN 45 N -0.49 3.15 0.00 3.54 2.47 0.27 -4.84 114.94 119.05 1bwy s ASN 45 Ca 0.48 -1.17 0.00 0.00 0.42 0.00 0.00 52.86 52.59 1bwy s ASN 45 Cb -0.34 -0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.22 1bwy s ASN 45 CO 0.43 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 174.16 1bwy n GLY 46 N -0.65 0.00 0.37 1.21 0.00 -1.26 -0.71 105.19 104.15 1bwy n GLY 46 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.37 1.77 -2.77 1.61 5.75 -1.26 -5.08 116.55 115.21 1bwy n ASP 47 Ca 0.00 -3.10 -0.12 0.00 -0.01 0.00 0.00 54.79 51.56 1bwy n ASP 47 Cb 0.00 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 39.65 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 -1.03 0.00 -3.75 2.12 -2.24 0.11 -4.79 114.28 104.70 1bwy n THR 48 Ca 0.14 -1.48 -0.12 0.00 -2.27 0.00 0.00 64.05 60.32 1bwy n THR 48 Cb 0.70 0.98 -0.12 0.00 -2.10 0.00 0.00 70.33 69.78 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 -2.67 -0.02 -0.08 2.28 0.11 0.56 -0.56 120.40 120.02 1bwy s VAL 49 Ca 0.24 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.30 1bwy s VAL 49 Cb -0.02 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1bwy s VAL 49 CO 0.17 0.03 0.18 -0.51 -3.33 0.00 0.00 175.10 171.65 1bwy s ILE 50 N 0.79 5.43 -0.05 7.04 2.07 0.43 -0.74 121.20 136.17 1bwy s ILE 50 Ca -0.05 0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1bwy s ILE 50 Cb -0.07 -3.47 0.00 0.00 0.13 0.00 0.00 42.46 39.06 1bwy s ILE 50 CO -0.05 0.55 -0.15 -0.51 -1.91 0.00 0.00 174.94 172.87 1bwy s ILE 51 N -1.10 1.30 -0.38 2.00 -1.16 0.21 -0.85 121.20 121.23 1bwy s ILE 51 Ca 0.19 -0.62 0.02 0.00 -0.51 0.00 0.00 60.65 59.72 1bwy s ILE 51 Cb -0.13 -1.14 0.11 0.00 0.61 0.00 0.00 42.46 41.91 1bwy s ILE 51 CO 0.08 0.38 0.15 -0.75 -2.81 0.00 0.00 174.94 171.99 1bwy s LYS 52 N 0.25 1.20 -1.20 3.50 2.20 0.23 -1.08 119.74 124.84 1bwy s LYS 52 Ca -0.08 -1.71 -0.18 0.00 -0.36 0.00 0.00 55.97 53.64 1bwy s LYS 52 Cb -0.13 -2.51 0.09 0.00 -1.51 0.00 0.00 37.83 33.77 1bwy s LYS 52 CO 0.03 -1.04 1.59 -0.08 -0.36 0.00 0.00 175.35 175.48 1bwy s THR 53 N 0.86 4.28 -1.13 3.43 -1.32 0.28 -2.42 115.64 119.61 1bwy s THR 53 Ca 0.13 -1.79 -0.19 0.00 -1.21 0.00 0.00 61.69 58.64 1bwy s THR 53 Cb -0.21 -5.09 -0.05 0.00 -1.51 0.00 0.00 72.50 65.64 1bwy s THR 53 CO -0.11 -1.91 2.00 0.00 -2.21 0.00 0.00 174.62 172.40 1bwy n GLN 54 N 7.90 2.21 0.02 7.08 6.02 0.13 -3.57 117.38 137.17 1bwy n GLN 54 Ca 0.42 -2.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 1bwy n GLN 54 Cb 0.47 -3.24 0.00 0.00 1.02 0.00 0.00 30.24 28.48 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1bwy n SER 55 N 8.16 -0.12 -4.76 1.08 2.88 -1.26 -0.67 113.62 118.93 1bwy n SER 55 Ca 0.50 0.08 -0.39 0.00 -1.33 0.00 0.00 58.87 57.73 1bwy n SER 55 Cb 0.42 0.21 0.03 0.00 -0.75 0.00 0.00 64.21 64.11 1bwy n SER 55 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1bwy s THR 56 N -1.14 2.03 0.20 2.46 2.01 -1.24 -3.45 115.64 116.51 1bwy s THR 56 Ca 0.00 0.03 -0.32 0.00 0.31 0.00 0.00 61.69 61.71 1bwy s THR 56 Cb 0.00 -3.01 -0.15 0.00 0.01 0.00 0.00 72.50 69.34 1bwy s THR 56 CO 0.00 0.00 1.12 2.22 -0.69 0.00 0.00 174.62 177.27 1bwy n PHE 57 N -0.58 1.25 -0.44 4.92 -1.74 -1.26 -0.49 117.46 119.12 1bwy n PHE 57 Ca 0.07 0.69 0.00 0.00 -0.56 0.00 0.00 57.45 57.65 1bwy n PHE 57 Cb 0.43 -2.27 0.00 0.00 1.52 0.00 0.00 39.48 39.16 1bwy n PHE 57 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1bwy n LYS 58 N 1.54 0.00 -3.06 3.97 5.02 -1.26 -4.60 118.16 119.77 1bwy n LYS 58 Ca 0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.39 1bwy n LYS 58 Cb 0.26 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1bwy n LYS 58 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bwy n ASN 59 N 0.00 -7.65 -4.74 4.39 5.03 0.36 -4.92 115.26 107.74 1bwy n ASN 59 Ca 0.00 0.02 -0.37 0.00 0.87 0.00 0.00 54.58 55.11 1bwy n ASN 59 Cb 0.00 -5.08 0.06 0.00 -1.02 0.00 0.00 39.78 33.74 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 -2.88 2.22 -0.01 3.41 -4.23 -1.23 -4.67 115.64 108.24 1bwy s THR 60 Ca 0.06 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1bwy s THR 60 Cb -0.02 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1bwy s THR 60 CO 0.76 -0.03 0.00 -0.70 -0.54 0.00 0.00 174.62 174.12 1bwy s GLU 61 N -3.36 0.11 0.15 3.99 2.12 -1.26 -0.56 118.70 119.88 1bwy s GLU 61 Ca 0.81 0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.95 1bwy s GLU 61 Cb -0.35 -0.21 0.07 0.00 0.26 0.00 0.00 34.13 33.90 1bwy s GLU 61 CO 0.38 -0.05 0.59 -1.50 -0.54 0.00 0.00 175.26 174.13 1bwy s ILE 62 N 0.44 0.01 -0.15 -3.70 1.10 -0.24 -5.00 121.20 113.64 1bwy s ILE 62 Ca -0.04 -0.05 -0.03 0.00 -0.51 0.00 0.00 60.65 60.03 1bwy s ILE 62 Cb -0.06 -1.01 -0.02 0.00 0.15 0.00 0.00 42.46 41.51 1bwy s ILE 62 CO -0.01 -0.03 -0.06 -0.94 -2.11 0.00 0.00 174.94 171.79 1bwy s SER 63 N -2.66 4.56 0.42 4.50 1.04 -1.26 -0.61 113.70 119.68 1bwy s SER 63 Ca 0.00 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1bwy s SER 63 Cb -0.01 -1.73 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 1bwy s SER 63 CO -0.12 0.16 0.16 0.72 0.98 0.00 0.00 173.24 175.15 1bwy s PHE 64 N 0.40 1.78 0.02 5.02 -0.12 0.08 -4.97 117.98 120.18 1bwy s PHE 64 Ca -0.06 -1.39 0.00 0.00 -0.05 0.00 0.00 56.93 55.44 1bwy s PHE 64 Cb -0.15 -1.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.12 1bwy s PHE 64 CO 0.04 -0.41 -0.03 0.21 -0.05 0.00 0.00 175.22 174.98 1bwy s LYS 65 N -3.62 0.25 -1.08 1.99 2.20 -1.26 -0.32 119.74 117.90 1bwy s LYS 65 Ca 0.23 -0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.22 1bwy s LYS 65 Cb 0.01 0.04 -0.07 0.00 -1.51 0.00 0.00 37.83 36.30 1bwy s LYS 65 CO 0.16 -0.03 2.10 1.47 -0.36 0.00 0.00 175.35 178.70 1bwy n LEU 66 N 2.01 5.41 0.00 5.43 -0.00 -1.26 -3.74 117.00 124.85 1bwy n LEU 66 Ca -0.21 -3.42 0.00 0.00 -0.00 0.00 0.00 56.01 52.38 1bwy n LEU 66 Cb 0.56 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.65 1bwy n LEU 66 CO 0.22 0.38 0.00 0.61 -0.00 0.00 0.00 177.39 178.60 1bwy n GLY 67 N 4.26 0.10 3.67 1.47 0.00 -0.14 -4.47 105.19 110.08 1bwy n GLY 67 Ca 0.52 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.02 1.61 0.11 0.24 -4.98 120.40 117.36 1bwy s VAL 68 Ca 0.00 -0.52 0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1bwy s VAL 68 Cb 0.00 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1bwy s VAL 68 CO 0.00 0.00 -0.18 -0.70 -3.33 0.00 0.00 175.10 170.89 1bwy s GLU 69 N -3.65 1.51 0.23 1.54 2.12 -1.26 -0.75 118.70 118.43 1bwy s GLU 69 Ca 0.08 -0.65 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 1bwy s GLU 69 Cb -0.03 -1.44 0.02 0.00 0.26 0.00 0.00 34.13 32.94 1bwy s GLU 69 CO -0.02 0.37 0.59 -0.59 -0.54 0.00 0.00 175.26 175.08 1bwy s PHE 70 N -0.37 -0.10 -0.07 5.30 -0.71 -1.18 -4.98 117.98 115.87 1bwy s PHE 70 Ca 0.06 -0.28 -0.30 0.00 -1.04 0.00 0.00 56.93 55.37 1bwy s PHE 70 Cb -0.07 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1bwy s PHE 70 CO -0.00 -1.03 1.25 0.34 -1.34 0.00 0.00 175.22 174.44 1bwy s ASP 71 N -2.90 6.99 -0.66 1.98 -1.08 -1.26 -0.75 116.67 118.99 1bwy s ASP 71 Ca 0.11 1.85 0.04 0.00 -0.52 0.00 0.00 52.55 54.03 1bwy s ASP 71 Cb -0.03 -2.55 0.34 0.00 -1.46 0.00 0.00 42.92 39.22 1bwy s ASP 71 CO 0.02 -0.65 1.15 1.21 0.52 0.00 0.00 175.17 177.42 1bwy n GLU 72 N 5.54 3.66 -1.55 4.34 2.13 0.56 -4.93 120.64 130.39 1bwy n GLU 72 Ca 0.12 -4.77 -0.42 0.00 0.66 0.00 0.00 57.16 52.75 1bwy n GLU 72 Cb 0.45 -2.28 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 1bwy n GLU 72 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1bwy n THR 73 N -0.24 0.15 -3.75 6.31 -1.04 -1.25 -3.90 114.28 110.57 1bwy n THR 73 Ca 0.35 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 1bwy n THR 73 Cb 0.39 -2.41 -0.12 0.00 -1.82 0.00 0.00 70.33 66.36 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 9.57 -0.02 0.39 12.58 -1.32 -0.02 -4.97 115.64 131.85 1bwy s THR 74 Ca 1.03 0.07 0.15 0.00 -1.21 0.00 0.00 61.69 61.74 1bwy s THR 74 Cb -0.40 -0.41 0.37 0.00 -1.51 0.00 0.00 72.50 70.54 1bwy s THR 74 CO 0.35 0.03 1.82 0.00 -2.21 0.00 0.00 174.62 174.61 1bwy h ALA 75 N 6.51 2.11 0.00 11.08 0.00 -1.92 0.47 119.26 137.50 1bwy h ALA 75 Ca -0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bwy h ALA 75 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bwy h ALA 75 CO 0.35 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 178.77 1bwy n ASP 76 N -4.58 0.00 0.08 0.00 5.75 -1.26 -4.19 116.55 112.35 1bwy n ASP 76 Ca 0.21 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1bwy n ASP 76 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.95 0.22 0.00 -1.12 -0.08 -0.16 -4.93 116.55 109.53 1bwy n ASP 77 Ca 0.20 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1bwy n ASP 77 Cb 0.09 0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bwy n ARG 78 N -3.26 0.00 -2.95 -0.67 1.74 0.15 -4.82 116.66 106.85 1bwy n ARG 78 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1bwy n ARG 78 Cb 0.06 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.86 3.96 -0.05 5.56 2.20 -1.26 -0.85 119.74 128.44 1bwy s LYS 79 Ca 0.00 0.58 -0.18 0.00 -0.36 0.00 0.00 55.97 56.01 1bwy s LYS 79 Cb 0.00 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1bwy s LYS 79 CO 0.00 -0.68 0.40 0.54 -0.36 0.00 0.00 175.35 175.25 1bwy s VAL 80 N 2.96 0.04 -0.02 4.02 0.11 -1.25 -4.70 120.40 121.55 1bwy s VAL 80 Ca 0.32 -0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 1bwy s VAL 80 Cb -0.14 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1bwy s VAL 80 CO 0.13 -0.16 0.32 -1.59 -3.33 0.00 0.00 175.10 170.46 1bwy s LYS 81 N -0.99 3.74 -0.55 1.54 -2.85 0.06 -0.32 119.74 120.36 1bwy s LYS 81 Ca -0.10 0.19 0.04 0.00 -1.00 0.00 0.00 55.97 55.10 1bwy s LYS 81 Cb -0.04 -3.17 0.14 0.00 -2.06 0.00 0.00 37.83 32.70 1bwy s LYS 81 CO 0.05 0.69 0.31 -1.54 0.10 0.00 0.00 175.35 174.96 1bwy s SER 82 N -1.21 4.33 -0.56 0.03 1.04 0.07 -0.73 113.70 116.67 1bwy s SER 82 Ca 0.23 -3.17 -0.24 0.00 0.48 0.00 0.00 55.95 53.25 1bwy s SER 82 Cb -0.15 -1.57 0.04 0.00 0.10 0.00 0.00 66.02 64.44 1bwy s SER 82 CO 0.12 -0.20 0.96 -0.51 0.98 0.00 0.00 173.24 174.58 1bwy s ILE 83 N -0.49 4.36 -0.01 -1.02 1.10 -0.08 -3.13 121.20 121.92 1bwy s ILE 83 Ca 0.19 0.27 0.06 0.00 -0.51 0.00 0.00 60.65 60.65 1bwy s ILE 83 Cb -0.21 -4.56 -0.01 0.00 0.15 0.00 0.00 42.46 37.83 1bwy s ILE 83 CO -0.04 -1.16 -0.19 0.54 -2.11 0.00 0.00 174.94 171.99 1bwy s VAL 84 N 4.02 1.48 0.29 4.00 0.11 0.07 -0.41 120.40 129.95 1bwy s VAL 84 Ca 0.30 -0.80 -0.21 0.00 -2.93 0.00 0.00 61.98 58.35 1bwy s VAL 84 Cb -0.13 -1.23 0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1bwy s VAL 84 CO 0.19 0.42 0.74 0.42 -3.33 0.00 0.00 175.10 173.54 1bwy s THR 85 N -0.43 0.00 -0.05 5.04 -4.23 0.13 -0.59 115.64 115.52 1bwy s THR 85 Ca 0.07 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1bwy s THR 85 Cb -0.07 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1bwy s THR 85 CO -0.01 0.00 0.10 -0.22 -0.54 0.00 0.00 174.62 173.95 1bwy s LEU 86 N -2.94 0.98 0.04 4.79 0.20 -1.26 0.11 118.68 120.60 1bwy s LEU 86 Ca 0.12 0.19 0.02 0.00 0.69 0.00 0.00 54.13 55.15 1bwy s LEU 86 Cb -0.06 0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.88 1bwy s LEU 86 CO 0.07 -0.12 -0.07 1.51 -0.29 0.00 0.00 176.35 177.45 1bwy s ASP 87 N 0.97 0.77 0.00 3.68 -4.77 -0.25 -4.96 116.67 112.11 1bwy s ASP 87 Ca -0.08 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 48.59 1bwy s ASP 87 Cb -0.10 0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.78 1bwy s ASP 87 CO -0.04 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.20 1bwy n GLY 88 N 1.37 0.36 1.01 2.12 0.00 -1.26 -0.63 105.19 108.15 1bwy n GLY 88 Ca -0.22 0.78 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 1bwy n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwy n GLY 89 N 0.00 0.41 3.06 -0.02 0.00 -1.26 -5.14 105.19 102.24 1bwy n GLY 89 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.01 0.82 -0.39 1.61 -2.85 0.20 -4.70 119.74 114.43 1bwy s LYS 90 Ca 0.00 -0.45 -0.16 0.00 -1.00 0.00 0.00 55.97 54.36 1bwy s LYS 90 Cb 0.02 -0.79 0.01 0.00 -2.06 0.00 0.00 37.83 35.01 1bwy s LYS 90 CO -0.01 0.21 0.41 -1.17 0.10 0.00 0.00 175.35 174.89 1bwy s LEU 91 N -0.47 4.68 -0.28 2.77 0.20 0.59 -1.09 118.68 125.09 1bwy s LEU 91 Ca 0.03 -0.47 -0.08 0.00 0.69 0.00 0.00 54.13 54.29 1bwy s LEU 91 Cb -0.05 -2.38 -0.02 0.00 -0.43 0.00 0.00 46.19 43.31 1bwy s LEU 91 CO -0.00 -0.48 0.11 0.68 -0.29 0.00 0.00 176.35 176.37 1bwy s VAL 92 N 2.10 4.51 -0.44 1.68 -7.23 0.12 -0.47 120.40 120.67 1bwy s VAL 92 Ca 0.12 -0.24 -0.05 0.00 -1.81 0.00 0.00 61.98 60.01 1bwy s VAL 92 Cb -0.17 -3.19 0.12 0.00 0.56 0.00 0.00 36.38 33.70 1bwy s VAL 92 CO 0.13 0.23 0.26 -2.28 -0.31 0.00 0.00 175.10 173.12 1bwy s HIS 93 N 1.63 3.54 -0.02 2.82 5.04 0.30 -0.69 115.29 127.91 1bwy s HIS 93 Ca 0.06 -2.29 -0.23 0.00 -1.54 0.00 0.00 55.06 51.06 1bwy s HIS 93 Cb -0.16 -3.30 -0.05 0.00 0.04 0.00 0.00 32.58 29.11 1bwy s HIS 93 CO 0.05 -0.97 0.68 0.08 -2.34 0.00 0.00 174.74 172.24 1bwy s VAL 94 N 1.13 4.92 -0.32 0.89 1.01 0.45 -0.84 120.40 127.65 1bwy s VAL 94 Ca 0.08 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 1bwy s VAL 94 Cb -0.23 -4.02 0.11 0.00 0.00 0.00 0.00 36.38 32.23 1bwy s VAL 94 CO -0.03 0.34 0.13 -1.58 0.00 0.00 0.00 175.10 173.95 1bwy s GLN 95 N 0.26 0.56 -0.21 2.72 2.00 0.10 -0.90 119.66 124.18 1bwy s GLN 95 Ca 0.35 -0.98 -0.01 0.00 -2.00 0.00 0.00 55.36 52.72 1bwy s GLN 95 Cb -0.19 -1.67 0.01 0.00 0.80 0.00 0.00 33.01 31.97 1bwy s GLN 95 CO 0.19 -1.03 -0.11 0.21 -0.50 0.00 0.00 175.29 174.05 1bwy s LYS 96 N 1.64 3.06 -0.07 1.67 2.20 0.09 -0.51 119.74 127.82 1bwy s LYS 96 Ca 0.11 -0.81 0.10 0.00 -0.36 0.00 0.00 55.97 55.01 1bwy s LYS 96 Cb -0.18 -2.83 -0.15 0.00 -1.51 0.00 0.00 37.83 33.16 1bwy s LYS 96 CO -0.25 -0.27 0.12 -2.67 -0.36 0.00 0.00 175.35 171.92 1bwy n TRP 97 N 4.69 0.00 0.00 4.03 2.14 -1.09 -0.76 117.44 126.45 1bwy n TRP 97 Ca -0.19 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.38 1bwy n TRP 97 Cb 0.49 -0.43 0.00 0.00 -0.81 0.00 0.00 31.31 30.56 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 -2.21 0.64 -0.27 -0.67 0.23 -1.26 -4.90 115.26 106.82 1bwy n ASN 98 Ca -0.12 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.02 1bwy n ASN 98 Cb 0.64 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.67 1bwy n ASN 98 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1bwy h GLY 99 N 0.00 1.22 -2.23 4.83 0.00 -2.03 -3.44 103.07 101.42 1bwy h GLY 99 Ca 0.00 -0.33 -0.45 0.00 0.00 0.00 0.00 47.33 46.55 1bwy h GLY 99 CO 0.00 0.16 -0.12 -0.86 0.00 0.00 0.00 176.54 175.72 1bwy s GLN 100 N -5.75 2.93 0.30 4.80 -2.07 -1.26 -5.12 119.66 113.49 1bwy s GLN 100 Ca -0.10 -0.68 0.03 0.00 -1.82 0.00 0.00 55.36 52.78 1bwy s GLN 100 Cb 0.21 -2.59 -0.04 0.00 -1.09 0.00 0.00 33.01 29.50 1bwy s GLN 100 CO 0.79 -0.34 0.13 -1.83 -1.32 0.00 0.00 175.29 172.72 1bwy s GLU 101 N -4.54 1.56 0.17 9.60 4.04 -1.26 -2.67 118.70 125.61 1bwy s GLU 101 Ca 0.50 -1.88 0.08 0.00 0.04 0.00 0.00 54.97 53.72 1bwy s GLU 101 Cb -0.10 -0.27 -0.04 0.00 0.02 0.00 0.00 34.13 33.74 1bwy s GLU 101 CO 0.37 -0.37 -0.08 -0.08 -1.84 0.00 0.00 175.26 173.25 1bwy s THR 102 N -3.60 3.30 -0.35 1.83 -1.32 0.33 -4.82 115.64 111.01 1bwy s THR 102 Ca 0.35 -1.59 -0.03 0.00 -1.21 0.00 0.00 61.69 59.21 1bwy s THR 102 Cb 0.06 -2.63 0.07 0.00 -1.51 0.00 0.00 72.50 68.49 1bwy s THR 102 CO 0.16 -0.10 0.10 -0.94 -2.21 0.00 0.00 174.62 171.63 1bwy s SER 103 N -2.81 5.12 -0.39 8.08 1.04 -0.27 -0.72 113.70 123.74 1bwy s SER 103 Ca 0.25 -1.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.05 1bwy s SER 103 Cb -0.09 -1.79 0.03 0.00 0.10 0.00 0.00 66.02 64.27 1bwy s SER 103 CO 0.16 -0.38 0.25 -0.76 0.98 0.00 0.00 173.24 173.49 1bwy s LEU 104 N 1.25 4.92 -0.27 2.42 1.02 -0.02 -1.01 118.68 126.99 1bwy s LEU 104 Ca 0.00 -1.00 -0.06 0.00 0.02 0.00 0.00 54.13 53.09 1bwy s LEU 104 Cb -0.21 -2.08 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1bwy s LEU 104 CO -0.01 -0.43 0.06 0.68 0.02 0.00 0.00 176.35 176.67 1bwy s VAL 105 N 1.60 3.90 -0.14 -1.59 -7.23 0.29 -0.54 120.40 116.68 1bwy s VAL 105 Ca 0.03 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.48 1bwy s VAL 105 Cb -0.19 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 1bwy s VAL 105 CO 0.08 0.18 0.30 -0.13 -0.31 0.00 0.00 175.10 175.22 1bwy s ARG 106 N 1.51 4.18 -0.04 4.82 0.52 0.39 -1.09 118.95 129.24 1bwy s ARG 106 Ca 0.04 0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.31 1bwy s ARG 106 Cb -0.16 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 31.92 1bwy s ARG 106 CO 0.02 0.31 0.15 -2.00 0.02 0.00 0.00 175.30 173.80 1bwy s GLU 107 N 0.25 0.28 -0.19 3.54 2.12 -0.15 -0.30 118.70 124.25 1bwy s GLU 107 Ca 0.17 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 1bwy s GLU 107 Cb -0.13 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.40 1bwy s GLU 107 CO 0.05 -0.05 -0.16 1.41 -0.54 0.00 0.00 175.26 175.97 1bwy s MET 108 N -0.38 3.06 0.00 4.30 -2.45 -1.26 -0.11 119.30 122.46 1bwy s MET 108 Ca -0.05 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1bwy s MET 108 Cb -0.03 -2.67 0.00 0.00 1.25 0.00 0.00 34.83 33.38 1bwy s MET 108 CO 0.01 -0.21 0.00 1.33 1.05 0.00 0.00 175.02 177.19 1bwy n VAL 109 N 4.66 0.00 0.00 10.11 0.24 -1.19 -5.00 118.33 127.14 1bwy n VAL 109 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 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 -1.49 0.00 -0.53 -1.34 2.03 -1.26 -2.13 116.55 111.83 1bwy n ASP 110 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1bwy n ASP 110 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1bwy n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bwy n GLY 111 N 0.00 0.90 2.91 0.27 0.00 -1.26 -5.09 105.19 102.92 1bwy n GLY 111 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.24 0.11 -0.58 1.61 1.02 -0.91 -4.02 119.74 116.73 1bwy s LYS 112 Ca 0.05 -0.17 -0.18 0.00 0.02 0.00 0.00 55.97 55.69 1bwy s LYS 112 Cb 0.05 0.04 0.12 0.00 -0.52 0.00 0.00 37.83 37.52 1bwy s LYS 112 CO -0.01 -0.02 0.63 -1.17 -0.92 0.00 0.00 175.35 173.86 1bwy s LEU 113 N -0.44 5.76 -0.04 3.17 0.20 0.57 -3.18 118.68 124.72 1bwy s LEU 113 Ca -0.05 -1.63 -0.30 0.00 0.69 0.00 0.00 54.13 52.85 1bwy s LEU 113 Cb -0.03 -2.26 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 1bwy s LEU 113 CO -0.00 -1.00 1.25 0.27 -0.29 0.00 0.00 176.35 176.58 1bwy s ILE 114 N 2.17 4.11 -0.35 6.68 -5.25 0.84 -0.39 121.20 129.02 1bwy s ILE 114 Ca 0.08 1.46 -0.00 0.00 -0.99 0.00 0.00 60.65 61.20 1bwy s ILE 114 Cb -0.26 -3.94 0.08 0.00 2.95 0.00 0.00 42.46 41.30 1bwy s ILE 114 CO 0.04 0.00 0.08 -0.22 -1.79 0.00 0.00 174.94 173.05 1bwy s LEU 115 N 2.23 4.56 -0.19 0.37 1.98 -0.30 -0.98 118.68 126.36 1bwy s LEU 115 Ca 0.58 -1.78 -0.18 0.00 -2.89 0.00 0.00 54.13 49.86 1bwy s LEU 115 Cb -0.26 -1.72 -0.04 0.00 0.66 0.00 0.00 46.19 44.83 1bwy s LEU 115 CO 0.23 -0.39 0.47 -0.89 -1.89 0.00 0.00 176.35 173.89 1bwy s THR 116 N 1.11 5.15 -0.66 3.68 2.01 -0.25 -0.22 115.64 126.46 1bwy s THR 116 Ca 0.03 0.87 0.02 0.00 0.31 0.00 0.00 61.69 62.93 1bwy s THR 116 Cb -0.21 -3.80 0.16 0.00 0.01 0.00 0.00 72.50 68.67 1bwy s THR 116 CO -0.04 0.23 0.45 -1.48 -0.69 0.00 0.00 174.62 173.09 1bwy s LEU 117 N 1.35 4.83 -0.15 4.42 2.34 -0.65 -0.55 118.68 130.26 1bwy s LEU 117 Ca 0.23 -3.41 -0.26 0.00 0.06 0.00 0.00 54.13 50.75 1bwy s LEU 117 Cb -0.15 -1.71 -0.01 0.00 -0.56 0.00 0.00 46.19 43.75 1bwy s LEU 117 CO 0.09 -0.19 0.86 0.42 -1.06 0.00 0.00 176.35 176.47 1bwy s THR 118 N -0.85 4.87 -0.03 5.48 -4.23 -0.18 -3.40 115.64 117.30 1bwy s THR 118 Ca 0.21 1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 62.36 1bwy s THR 118 Cb -0.14 -4.17 0.01 0.00 1.34 0.00 0.00 72.50 69.54 1bwy s THR 118 CO -0.08 0.03 0.17 -2.28 -0.54 0.00 0.00 174.62 171.92 1bwy s HIS 119 N 2.08 -0.08 0.42 3.99 5.04 -1.24 -1.12 115.29 124.38 1bwy s HIS 119 Ca 0.40 0.18 0.26 0.00 -1.54 0.00 0.00 55.06 54.36 1bwy s HIS 119 Cb -0.17 0.01 1.31 0.00 0.04 0.00 0.00 32.58 33.78 1bwy s HIS 119 CO 0.13 -0.21 1.68 0.78 -2.34 0.00 0.00 174.74 174.78 1bwy h GLY 120 N 4.95 1.26 0.49 1.59 0.00 -1.96 0.87 103.07 110.27 1bwy h GLY 120 Ca -0.28 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.01 1bwy h GLY 120 CO 0.40 -0.30 0.55 0.00 0.00 0.00 0.00 176.54 177.18 1bwy h THR 121 N 0.19 0.91 -1.38 4.70 1.03 -1.98 -3.44 112.91 112.95 1bwy h THR 121 Ca 0.73 -0.31 0.14 0.00 -0.01 0.00 0.00 66.41 66.97 1bwy h THR 121 Cb 2.18 -0.06 -0.28 0.00 -1.07 0.00 0.00 68.15 68.92 1bwy h THR 121 CO -0.37 0.16 0.44 0.00 -0.01 0.00 0.00 175.52 175.74 1bwy s ALA 122 N -5.99 -2.40 0.12 0.00 0.00 0.30 -5.13 121.76 108.66 1bwy s ALA 122 Ca -0.12 2.15 -0.31 0.00 0.00 0.00 0.00 51.96 53.67 1bwy s ALA 122 Cb 0.21 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 1bwy s ALA 122 CO 0.80 -0.40 1.54 0.54 0.00 0.00 0.00 175.76 178.23 1bwy s VAL 123 N 1.40 2.93 0.03 0.00 0.11 -1.25 -3.71 120.40 119.89 1bwy s VAL 123 Ca -0.08 0.60 -0.08 0.00 -2.93 0.00 0.00 61.98 59.49 1bwy s VAL 123 Cb -0.04 -3.38 -0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1bwy s VAL 123 CO -0.14 0.03 0.14 0.00 -3.33 0.00 0.00 175.10 171.81 1bwy s THR 125 N -2.16 -0.12 -0.54 0.00 -4.23 -0.52 -1.64 115.64 106.44 1bwy s THR 125 Ca -0.09 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 60.58 1bwy s THR 125 Cb -0.03 -0.17 0.08 0.00 1.34 0.00 0.00 72.50 73.72 1bwy s THR 125 CO -0.02 0.14 0.61 -0.13 -0.54 0.00 0.00 174.62 174.68 1bwy s ARG 126 N 1.80 3.06 -0.46 3.99 0.52 0.69 -3.98 118.95 124.57 1bwy s ARG 126 Ca -0.00 -1.20 -0.25 0.00 -0.52 0.00 0.00 55.73 53.75 1bwy s ARG 126 Cb -0.12 -4.19 0.03 0.00 0.52 0.00 0.00 34.95 31.19 1bwy s ARG 126 CO -0.04 -1.32 0.92 0.95 0.02 0.00 0.00 175.30 175.84 1bwy s THR 127 N 2.39 4.47 0.15 0.02 -4.23 -1.26 -1.15 115.64 116.04 1bwy s THR 127 Ca 0.11 0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 61.27 1bwy s THR 127 Cb -0.23 -4.43 -0.06 0.00 1.34 0.00 0.00 72.50 69.11 1bwy s THR 127 CO 0.08 -0.84 0.46 -0.31 -0.54 0.00 0.00 174.62 173.48 1bwy s TYR 128 N 3.75 3.50 -0.07 3.99 2.02 0.48 -0.91 117.35 130.12 1bwy s TYR 128 Ca 0.37 0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 57.86 1bwy s TYR 128 Cb -0.10 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1bwy s TYR 128 CO 0.26 0.40 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.62 1bwy s GLU 129 N -2.41 0.80 0.06 -0.62 2.12 0.73 -0.31 118.70 119.06 1bwy s GLU 129 Ca 0.40 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 1bwy s GLU 129 Cb -0.13 -1.00 -0.05 0.00 0.26 0.00 0.00 34.13 33.21 1bwy s GLU 129 CO 0.21 -0.22 1.14 0.21 -0.54 0.00 0.00 175.26 176.06 1bwy s LYS 130 N 1.58 4.47 -0.02 4.30 2.20 -1.26 -0.03 119.74 130.99 1bwy s LYS 130 Ca -0.01 1.69 0.09 0.00 -0.36 0.00 0.00 55.97 57.39 1bwy s LYS 130 Cb -0.13 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.69 1bwy s LYS 130 CO -0.04 -0.18 0.17 0.00 -0.36 0.00 0.00 175.35 174.94 1bwy n GLN 131 N 3.78 0.61 -0.31 4.03 0.00 0.01 -4.92 117.38 120.56 1bwy n GLN 131 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.01 1bwy n GLN 131 Cb 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.50 1bwy n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06