#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 6.40 0.03 6.55 8.00 -1.26 -1.17 116.55 135.10 1bwy n ASP 2 Ca 0.00 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1bwy n ASP 2 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 1bwy n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwy n ALA 3 N 3.99 0.00 -0.03 2.24 0.00 -1.26 -4.96 120.51 120.49 1bwy n ALA 3 Ca 0.58 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.81 1bwy n ALA 3 Cb 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 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 0.28 -1.51 0.00 0.04 -1.61 -3.45 116.94 110.69 1bwy h PHE 4 Ca 0.00 -0.21 -0.75 0.00 2.80 0.00 0.00 57.97 59.82 1bwy h PHE 4 Cb 0.00 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.15 1bwy h PHE 4 CO 0.00 1.52 0.87 0.28 -0.60 0.00 0.00 178.31 180.38 1bwy n VAL 5 N -4.08 0.28 0.00 -0.55 0.31 -0.32 -4.47 118.33 109.50 1bwy n VAL 5 Ca -0.27 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1bwy n VAL 5 Cb 0.82 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 4.13 -0.37 3.78 2.92 0.00 0.16 -4.71 105.19 111.10 1bwy n GLY 6 Ca 0.27 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 1bwy n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwy s THR 7 N 0.00 4.43 0.21 2.61 2.01 0.26 -1.06 115.64 124.10 1bwy s THR 7 Ca 0.00 1.62 0.11 0.00 0.31 0.00 0.00 61.69 63.74 1bwy s THR 7 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1bwy s THR 7 CO 0.00 0.53 -0.23 0.26 -0.69 0.00 0.00 174.62 174.49 1bwy s TRP 8 N -1.13 2.30 -0.04 4.92 0.51 0.45 -0.50 118.94 125.46 1bwy s TRP 8 Ca 0.35 -0.35 0.07 0.00 -2.12 0.00 0.00 56.10 54.04 1bwy s TRP 8 Cb -0.22 -1.12 -0.01 0.00 -0.81 0.00 0.00 33.47 31.30 1bwy s TRP 8 CO 0.25 0.54 -0.24 -1.59 -0.51 0.00 0.00 176.95 175.39 1bwy s LYS 9 N -2.81 2.25 0.51 4.98 0.00 0.08 -0.65 119.74 124.09 1bwy s LYS 9 Ca 0.22 -0.88 -0.22 0.00 0.00 0.00 0.00 55.97 55.10 1bwy s LYS 9 Cb -0.07 -2.02 -0.06 0.00 0.00 0.00 0.00 37.83 35.67 1bwy s LYS 9 CO 0.11 0.45 1.23 -1.17 0.00 0.00 0.00 175.35 175.97 1bwy s LEU 10 N -0.35 3.90 -0.31 2.77 0.20 -0.27 -0.37 118.68 124.24 1bwy s LEU 10 Ca 0.03 2.46 0.17 0.00 0.69 0.00 0.00 54.13 57.48 1bwy s LEU 10 Cb -0.12 -4.32 0.45 0.00 -0.43 0.00 0.00 46.19 41.78 1bwy s LEU 10 CO 0.01 -1.24 1.28 0.55 -0.29 0.00 0.00 176.35 176.66 1bwy n VAL 11 N -0.86 0.62 -3.58 1.68 3.14 0.19 -4.84 118.33 114.68 1bwy n VAL 11 Ca 0.09 -2.07 -0.07 0.00 -2.96 0.00 0.00 64.34 59.33 1bwy n VAL 11 Cb 0.47 1.08 -0.04 0.00 -1.06 0.00 0.00 33.84 34.29 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 -2.43 -0.25 0.00 6.55 2.15 -1.17 -4.80 116.67 116.71 1bwy s ASP 12 Ca 0.20 0.18 0.01 0.00 0.43 0.00 0.00 52.55 53.36 1bwy s ASP 12 Cb 0.40 0.23 0.01 0.00 -0.30 0.00 0.00 42.92 43.25 1bwy s ASP 12 CO -0.07 -0.31 0.79 -0.24 -0.17 0.00 0.00 175.17 175.18 1bwy n SER 13 N 0.34 -0.51 -4.67 -0.34 2.88 -1.26 -4.46 113.62 105.60 1bwy n SER 13 Ca -0.06 -1.57 -0.42 0.00 -1.33 0.00 0.00 58.87 55.49 1bwy n SER 13 Cb 0.59 0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 64.17 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 4.18 -0.58 -1.46 2.47 -1.25 -3.49 119.74 119.61 1bwy s LYS 14 Ca 0.01 2.37 -0.03 0.00 -1.56 0.00 0.00 55.97 56.76 1bwy s LYS 14 Cb 0.01 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.52 1bwy s LYS 14 CO -0.00 -0.82 0.51 0.09 0.16 0.00 0.00 175.35 175.29 1bwy n ASN 15 N 6.46 -4.95 -0.03 1.43 3.02 -1.26 -3.23 115.26 116.70 1bwy n ASN 15 Ca 0.17 -0.32 -0.01 0.00 -0.03 0.00 0.00 54.58 54.39 1bwy n ASN 15 Cb 0.41 -3.38 -0.00 0.00 -0.61 0.00 0.00 39.78 36.20 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 -0.40 0.00 -0.03 3.10 3.04 -1.93 -3.31 116.94 117.41 1bwy h PHE 16 Ca -0.27 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.49 1bwy h PHE 16 Cb 1.14 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.64 1bwy h PHE 16 CO 0.16 0.00 -0.83 0.22 -2.02 0.00 0.00 178.31 175.85 1bwy h ASP 17 N -0.61 0.42 -0.83 0.41 3.58 -1.95 -2.68 116.42 114.76 1bwy h ASP 17 Ca 0.00 -0.31 0.13 0.00 0.42 0.00 0.00 57.03 57.26 1bwy h ASP 17 Cb 0.09 -0.13 -0.13 0.00 1.72 0.00 0.00 39.33 40.88 1bwy h ASP 17 CO 0.00 1.08 -0.33 -0.67 -2.88 0.00 0.00 179.24 176.44 1bwy n ASP 18 N -3.76 -0.55 -0.05 2.28 2.03 -1.26 0.01 116.55 115.25 1bwy n ASP 18 Ca -0.05 1.45 -0.08 0.00 0.52 0.00 0.00 54.79 56.64 1bwy n ASP 18 Cb 0.77 -0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 1bwy n ASP 18 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bwy h TYR 19 N 0.00 -0.29 -0.88 -0.67 3.20 -1.57 -1.31 116.97 115.46 1bwy h TYR 19 Ca 0.28 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.23 1bwy h TYR 19 Cb 0.49 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 1bwy h TYR 19 CO -0.73 -0.18 0.57 1.98 -1.64 0.00 0.00 178.16 178.16 1bwy h MET 20 N -0.10 1.02 -3.67 1.82 1.85 -0.70 -3.10 114.93 112.05 1bwy h MET 20 Ca 0.13 -0.06 -0.51 0.00 -0.61 0.00 0.00 59.70 58.64 1bwy h MET 20 Cb 0.28 -0.23 0.02 0.00 0.43 0.00 0.00 31.60 32.11 1bwy h MET 20 CO -0.29 0.67 2.77 1.17 -0.40 0.00 0.00 176.91 180.83 1bwy n LYS 21 N -4.46 2.25 0.00 0.39 4.81 0.10 -0.71 118.16 120.54 1bwy n LYS 21 Ca 0.12 -1.76 0.00 0.00 -0.87 0.00 0.00 58.31 55.81 1bwy n LYS 21 Cb 0.15 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.51 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 5.05 0.00 0.25 3.14 7.64 -1.26 -4.95 113.62 123.49 1bwy n SER 22 Ca 0.51 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.49 1bwy n SER 22 Cb 0.23 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.06 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1bwy h LEU 23 N 0.00 0.00 0.00 -3.43 5.85 -1.30 -3.47 115.31 112.96 1bwy h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bwy h LEU 23 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1bwy h LEU 23 CO 0.00 0.15 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 1bwy n GLY 24 N -0.85 2.96 0.00 3.75 0.00 0.11 -4.90 105.19 106.26 1bwy n GLY 24 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1bwy n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bwy n VAL 25 N 0.00 0.00 0.00 1.61 0.31 -1.25 -4.45 118.33 114.55 1bwy n VAL 25 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bwy n VAL 25 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwy n GLY 26 N 0.00 -0.07 3.53 2.92 0.00 -1.26 -4.83 105.19 105.48 1bwy n GLY 26 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 1bwy n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bwy s PHE 27 N 0.00 1.01 0.00 1.61 5.36 -1.26 -3.55 117.98 121.15 1bwy s PHE 27 Ca 0.00 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1bwy s PHE 27 Cb 0.00 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1bwy s PHE 27 CO 0.00 -3.83 0.00 0.00 -1.46 0.00 0.00 175.22 169.93 1bwy n ALA 28 N -4.82 0.00 0.14 11.12 0.00 -1.26 -4.08 120.51 121.61 1bwy n ALA 28 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1bwy n ALA 28 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 1bwy n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bwy h THR 29 N 0.00 0.41 -0.50 0.00 2.02 -2.01 -3.11 112.91 109.72 1bwy h THR 29 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1bwy h THR 29 Cb 0.00 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1bwy h THR 29 CO 0.00 0.00 0.07 -0.09 0.37 0.00 0.00 175.52 175.87 1bwy h ARG 30 N -0.51 0.84 0.00 6.66 2.43 -1.70 0.20 114.38 122.30 1bwy h ARG 30 Ca 0.02 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1bwy h ARG 30 Cb 0.52 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1bwy h ARG 30 CO -0.12 0.84 0.00 0.00 -1.51 0.00 0.00 179.97 179.18 1bwy n GLN 31 N -4.39 0.11 -0.08 0.20 -0.00 -1.19 -0.34 117.38 111.69 1bwy n GLN 31 Ca 0.01 0.18 -0.13 0.00 -0.00 0.00 0.00 57.00 57.07 1bwy n GLN 31 Cb 0.27 -1.50 -0.07 0.00 -0.00 0.00 0.00 30.24 28.94 1bwy n GLN 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1bwy n VAL 32 N -1.40 0.89 0.27 -0.39 3.14 -1.11 -4.70 118.33 115.05 1bwy n VAL 32 Ca 0.06 -0.31 0.13 0.00 -2.96 0.00 0.00 64.34 61.26 1bwy n VAL 32 Cb 0.16 -1.26 0.78 0.00 -1.06 0.00 0.00 33.84 32.46 1bwy n VAL 32 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1bwy h GLY 33 N 0.63 0.00 2.00 7.55 0.00 -0.26 0.14 103.07 113.14 1bwy h GLY 33 Ca -0.37 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1bwy h GLY 33 CO -0.12 0.00 -0.17 3.45 0.00 0.00 0.00 176.54 179.71 1bwy h ASN 34 N 0.00 0.00 0.25 0.19 -1.07 -0.90 -3.30 115.58 110.75 1bwy h ASN 34 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 1bwy h ASN 34 Cb 0.17 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.43 1bwy h ASN 34 CO 0.01 0.17 -1.66 -0.03 0.07 0.00 0.00 177.43 175.99 1bwy h MET 35 N 0.00 0.41 0.63 4.14 4.05 -0.96 -3.39 114.93 119.81 1bwy h MET 35 Ca -0.00 -0.70 -0.03 0.00 -0.28 0.00 0.00 59.70 58.69 1bwy h MET 35 Cb 0.48 0.26 0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1bwy h MET 35 CO 0.02 1.32 -0.30 0.00 0.23 0.00 0.00 176.91 178.18 1bwy h THR 36 N 0.11 0.29 -0.14 -0.77 1.03 -1.62 -3.45 112.91 108.37 1bwy h THR 36 Ca -0.31 -0.22 0.13 0.00 -0.01 0.00 0.00 66.41 66.00 1bwy h THR 36 Cb 2.11 0.36 -0.17 0.00 -1.07 0.00 0.00 68.15 69.37 1bwy h THR 36 CO 0.20 0.03 -0.08 -0.54 -0.01 0.00 0.00 175.52 175.11 1bwy s LYS 37 N -5.34 0.12 -0.90 0.00 1.02 -1.26 -5.08 119.74 108.30 1bwy s LYS 37 Ca -0.16 -0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.53 1bwy s LYS 37 Cb 0.02 0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1bwy s LYS 37 CO 0.54 -0.17 1.65 -2.14 -0.92 0.00 0.00 175.35 174.32 1bwy s PRO 38 N 1.84 3.07 0.53 -1.68 0.02 -1.26 -4.21 135.00 133.30 1bwy s PRO 38 Ca 0.16 -0.52 -0.04 0.00 0.02 0.00 0.00 61.00 60.61 1bwy s PRO 38 Cb 0.05 -4.99 -0.01 0.00 0.02 0.00 0.00 34.50 29.57 1bwy s PRO 38 CO -0.15 -2.67 0.82 0.99 -0.33 0.00 0.00 177.00 175.66 1bwy s THR 39 N 7.33 4.12 0.02 0.99 2.01 -0.04 -1.12 115.64 128.96 1bwy s THR 39 Ca 0.55 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 1bwy s THR 39 Cb -0.05 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1bwy s THR 39 CO 0.00 -0.56 0.07 -0.89 -0.69 0.00 0.00 174.62 172.54 1bwy s THR 40 N -2.83 0.12 -0.07 -0.82 2.01 0.17 -2.62 115.64 111.61 1bwy s THR 40 Ca 0.51 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1bwy s THR 40 Cb -0.10 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.81 1bwy s THR 40 CO 0.44 -0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.11 1bwy s ILE 41 N -2.00 0.97 -0.17 1.82 1.01 -1.10 -0.41 121.20 121.31 1bwy s ILE 41 Ca -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1bwy s ILE 41 Cb -0.05 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1bwy s ILE 41 CO -0.02 0.32 -0.07 -0.63 0.00 0.00 0.00 174.94 174.55 1bwy s ILE 42 N 0.88 3.42 -0.17 2.92 1.09 -0.22 -0.77 121.20 128.34 1bwy s ILE 42 Ca -0.11 -0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 58.89 1bwy s ILE 42 Cb -0.15 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.72 1bwy s ILE 42 CO 0.01 0.47 -0.02 -1.61 -0.10 0.00 0.00 174.94 173.70 1bwy s GLU 43 N 0.83 3.67 -1.03 2.79 8.01 -1.16 -0.67 118.70 131.14 1bwy s GLU 43 Ca -0.02 -0.51 -0.22 0.00 0.01 0.00 0.00 54.97 54.23 1bwy s GLU 43 Cb -0.15 -2.99 -0.10 0.00 -4.31 0.00 0.00 34.13 26.58 1bwy s GLU 43 CO 0.01 0.17 1.93 1.55 0.01 0.00 0.00 175.26 178.93 1bwy n VAL 44 N 3.76 2.10 -1.38 2.63 3.14 -1.26 -0.82 118.33 126.50 1bwy n VAL 44 Ca -0.17 -2.03 -0.35 0.00 -2.96 0.00 0.00 64.34 58.82 1bwy n VAL 44 Cb 0.52 -2.27 0.10 0.00 -1.06 0.00 0.00 33.84 31.13 1bwy n VAL 44 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1bwy n ASN 45 N 10.61 1.18 -0.36 6.55 5.15 -0.76 -4.86 115.26 132.77 1bwy n ASN 45 Ca 0.48 0.69 0.03 0.00 -0.60 0.00 0.00 54.58 55.17 1bwy n ASN 45 Cb 0.44 -1.49 0.09 0.00 -0.53 0.00 0.00 39.78 38.28 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bwy n GLY 46 N 0.84 -1.82 0.39 8.20 0.00 -1.26 -1.00 105.19 110.54 1bwy n GLY 46 Ca 0.14 1.07 0.05 0.00 0.00 0.00 0.00 46.02 47.28 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 -5.52 1.86 -1.31 1.61 5.75 -1.26 -5.07 116.55 112.61 1bwy n ASP 47 Ca 0.13 -1.44 -0.02 0.00 -0.01 0.00 0.00 54.79 53.45 1bwy n ASP 47 Cb 0.44 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.53 0.00 -4.75 2.12 -2.24 -0.17 -4.78 114.28 104.99 1bwy n THR 48 Ca 0.06 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1bwy n THR 48 Cb 0.25 0.17 -0.17 0.00 -2.10 0.00 0.00 70.33 68.49 1bwy n THR 48 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1bwy s VAL 49 N -2.46 1.36 0.30 2.28 1.01 0.90 -1.83 120.40 121.96 1bwy s VAL 49 Ca 0.05 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1bwy s VAL 49 Cb -0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 1bwy s VAL 49 CO 0.03 0.40 0.69 -0.63 0.00 0.00 0.00 175.10 175.60 1bwy s ILE 50 N 0.52 4.75 -0.08 2.22 1.01 -0.00 -0.80 121.20 128.81 1bwy s ILE 50 Ca -0.14 0.81 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 1bwy s ILE 50 Cb -0.16 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1bwy s ILE 50 CO 0.05 -0.18 0.03 -0.51 0.00 0.00 0.00 174.94 174.33 1bwy s ILE 51 N -1.97 0.21 -0.15 2.92 -1.16 0.44 -2.99 121.20 118.51 1bwy s ILE 51 Ca 0.52 0.15 -0.04 0.00 -0.51 0.00 0.00 60.65 60.77 1bwy s ILE 51 Cb -0.10 -0.46 -0.03 0.00 0.61 0.00 0.00 42.46 42.48 1bwy s ILE 51 CO 0.19 0.17 -0.02 -0.54 -2.81 0.00 0.00 174.94 171.93 1bwy s LYS 52 N 2.03 3.64 -0.37 3.50 1.02 0.05 -0.89 119.74 128.72 1bwy s LYS 52 Ca 0.04 -0.49 0.06 0.00 0.02 0.00 0.00 55.97 55.61 1bwy s LYS 52 Cb -0.13 -2.94 0.67 0.00 -0.52 0.00 0.00 37.83 34.91 1bwy s LYS 52 CO -0.05 0.30 1.81 0.25 -0.92 0.00 0.00 175.35 176.74 1bwy n THR 53 N 3.37 2.95 -1.53 2.17 -2.24 -1.20 -2.71 114.28 115.10 1bwy n THR 53 Ca -0.17 -1.67 -0.34 0.00 -2.27 0.00 0.00 64.05 59.60 1bwy n THR 53 Cb 0.53 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.60 0.46 -3.82 -0.78 10.64 -1.08 -4.78 117.38 117.42 1bwy n GLN 54 Ca 0.48 -0.09 -0.18 0.00 -1.83 0.00 0.00 57.00 55.38 1bwy n GLN 54 Cb 1.48 -2.44 -0.17 0.00 -0.86 0.00 0.00 30.24 28.26 1bwy n GLN 54 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1bwy s SER 55 N 9.50 0.60 0.69 2.61 0.15 -1.26 -0.86 113.70 125.13 1bwy s SER 55 Ca 1.16 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1bwy s SER 55 Cb -0.68 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 1bwy s SER 55 CO 0.37 -0.15 0.00 1.07 1.20 0.00 0.00 173.24 175.73 1bwy n THR 56 N 4.48 0.00 0.74 6.45 5.66 -1.25 -4.22 114.28 126.15 1bwy n THR 56 Ca -0.20 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.81 1bwy n THR 56 Cb 0.50 -0.06 0.07 0.00 -1.55 0.00 0.00 70.33 69.29 1bwy n THR 56 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1bwy n PHE 57 N -1.86 0.37 -3.43 1.09 1.16 -1.26 -4.65 117.46 108.87 1bwy n PHE 57 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 1bwy n PHE 57 Cb 0.09 -0.16 -0.03 0.00 -1.61 0.00 0.00 39.48 37.77 1bwy n PHE 57 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1bwy s LYS 58 N -1.38 0.55 0.18 3.97 2.20 -1.26 -5.16 119.74 118.85 1bwy s LYS 58 Ca 0.10 1.22 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 1bwy s LYS 58 Cb 0.07 0.67 0.05 0.00 -1.51 0.00 0.00 37.83 37.11 1bwy s LYS 58 CO 0.03 -0.40 0.64 -1.71 -0.36 0.00 0.00 175.35 173.56 1bwy n ASN 59 N 5.44 -1.33 -4.05 1.43 2.85 -1.26 -4.77 115.26 113.56 1bwy n ASN 59 Ca -0.07 -1.80 -0.12 0.00 -0.11 0.00 0.00 54.58 52.48 1bwy n ASN 59 Cb 0.50 2.19 -0.09 0.00 1.24 0.00 0.00 39.78 43.62 1bwy n ASN 59 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1bwy s THR 60 N -2.28 0.00 0.01 -0.44 -4.23 -1.26 -5.06 115.64 102.38 1bwy s THR 60 Ca 0.14 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 58.73 1bwy s THR 60 Cb -0.02 -2.44 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 1bwy s THR 60 CO 0.05 0.00 0.10 -1.83 -0.54 0.00 0.00 174.62 172.41 1bwy s GLU 61 N -4.02 0.46 0.18 3.99 -1.05 -1.26 -3.20 118.70 113.78 1bwy s GLU 61 Ca 0.35 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.73 1bwy s GLU 61 Cb 0.05 0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1bwy s GLU 61 CO 0.13 -0.10 0.00 0.42 0.95 0.00 0.00 175.26 176.66 1bwy s ILE 62 N -1.47 0.72 0.09 1.83 1.01 -0.07 -5.00 121.20 118.31 1bwy s ILE 62 Ca -0.15 -1.99 -0.01 0.00 0.00 0.00 0.00 60.65 58.51 1bwy s ILE 62 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1bwy s ILE 62 CO 0.01 -0.46 -0.01 -0.94 0.00 0.00 0.00 174.94 173.54 1bwy s SER 63 N -3.18 0.55 0.20 3.58 1.04 -1.26 -0.42 113.70 114.20 1bwy s SER 63 Ca 0.24 -1.08 -0.23 0.00 0.48 0.00 0.00 55.95 55.36 1bwy s SER 63 Cb 0.06 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1bwy s SER 63 CO 0.04 -0.62 0.79 0.72 0.98 0.00 0.00 173.24 175.15 1bwy s PHE 64 N -3.91 -0.24 -0.14 5.02 -0.12 0.02 -4.98 117.98 113.63 1bwy s PHE 64 Ca 0.14 -0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 56.88 1bwy s PHE 64 Cb 0.07 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 43.09 1bwy s PHE 64 CO -0.05 -0.99 -0.04 0.21 -0.05 0.00 0.00 175.22 174.30 1bwy s LYS 65 N -3.62 3.56 -0.98 1.99 2.47 -1.26 -0.07 119.74 121.83 1bwy s LYS 65 Ca 0.09 -0.52 -0.26 0.00 -1.56 0.00 0.00 55.97 53.72 1bwy s LYS 65 Cb -0.03 -2.87 -0.16 0.00 -1.46 0.00 0.00 37.83 33.30 1bwy s LYS 65 CO 0.01 0.29 2.17 -0.48 0.16 0.00 0.00 175.35 177.51 1bwy s LEU 66 N 0.22 2.69 0.00 5.43 2.34 -1.26 -3.08 118.68 125.01 1bwy s LEU 66 Ca -0.03 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.47 1bwy s LEU 66 Cb -0.14 -2.58 0.00 0.00 -0.56 0.00 0.00 46.19 42.91 1bwy s LEU 66 CO 0.03 -4.07 0.00 0.61 -1.06 0.00 0.00 176.35 171.86 1bwy n GLY 67 N 6.40 0.27 3.34 -3.48 0.00 0.14 -4.55 105.19 107.32 1bwy n GLY 67 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1bwy n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwy s VAL 68 N -0.42 0.04 -0.05 1.61 1.01 -0.31 -4.99 120.40 117.30 1bwy s VAL 68 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1bwy s VAL 68 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1bwy s VAL 68 CO 0.00 -0.20 -0.10 -1.83 0.00 0.00 0.00 175.10 172.97 1bwy s GLU 69 N -1.89 2.61 0.10 2.72 -1.05 -1.26 -0.74 118.70 119.19 1bwy s GLU 69 Ca -0.09 -0.64 -0.25 0.00 -0.15 0.00 0.00 54.97 53.84 1bwy s GLU 69 Cb -0.02 -2.49 0.08 0.00 -0.44 0.00 0.00 34.13 31.26 1bwy s GLU 69 CO 0.02 0.64 0.66 -0.59 0.95 0.00 0.00 175.26 176.93 1bwy s PHE 70 N -0.82 -0.53 0.21 4.83 -0.71 -0.71 -4.99 117.98 115.27 1bwy s PHE 70 Ca 0.13 0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 56.16 1bwy s PHE 70 Cb -0.11 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.14 1bwy s PHE 70 CO 0.02 -0.77 1.36 0.34 -1.34 0.00 0.00 175.22 174.83 1bwy s ASP 71 N -2.45 6.81 -0.11 1.98 -1.08 -1.26 -0.37 116.67 120.19 1bwy s ASP 71 Ca -0.00 2.49 0.03 0.00 -0.52 0.00 0.00 52.55 54.54 1bwy s ASP 71 Cb -0.01 -2.61 -0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1bwy s ASP 71 CO -0.09 -0.59 -0.21 -0.70 0.52 0.00 0.00 175.17 174.10 1bwy s GLU 72 N -0.15 3.13 -0.35 4.34 2.12 0.15 -4.79 118.70 123.14 1bwy s GLU 72 Ca 0.58 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1bwy s GLU 72 Cb -0.38 -2.38 0.10 0.00 0.26 0.00 0.00 34.13 31.73 1bwy s GLU 72 CO 0.39 0.18 0.09 0.99 -0.54 0.00 0.00 175.26 176.38 1bwy s THR 73 N 0.35 1.83 0.06 -1.70 2.01 -1.26 -0.57 115.64 116.35 1bwy s THR 73 Ca -0.17 -2.16 0.08 0.00 0.31 0.00 0.00 61.69 59.76 1bwy s THR 73 Cb -0.17 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1bwy s THR 73 CO 0.08 -0.66 -0.23 0.28 -0.69 0.00 0.00 174.62 173.40 1bwy s THR 74 N 0.98 1.86 0.00 -0.82 -1.32 0.05 -4.98 115.64 111.41 1bwy s THR 74 Ca 0.12 -1.33 -0.05 0.00 -1.21 0.00 0.00 61.69 59.21 1bwy s THR 74 Cb -0.19 -1.62 -0.23 0.00 -1.51 0.00 0.00 72.50 68.95 1bwy s THR 74 CO -0.12 0.22 3.36 0.00 -2.21 0.00 0.00 174.62 175.87 1bwy n ALA 75 N 1.68 5.96 -1.00 11.08 0.00 -1.26 -2.03 120.51 134.94 1bwy n ALA 75 Ca -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1bwy n ALA 75 Cb 0.53 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.40 0.00 -0.31 0.00 5.75 -1.26 -4.94 116.55 118.19 1bwy n ASP 76 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1bwy n ASP 76 Cb 0.85 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 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 -0.65 0.49 0.00 -1.12 2.03 -1.25 -3.93 116.55 112.11 1bwy n ASP 77 Ca 0.00 -1.58 0.00 0.00 0.52 0.00 0.00 54.79 53.73 1bwy n ASP 77 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bwy n ARG 78 N -0.12 0.00 -3.91 -0.67 1.74 -0.86 -4.65 116.66 108.19 1bwy n ARG 78 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1bwy n ARG 78 Cb 0.12 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.49 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bwy s LYS 79 N 0.00 3.61 0.32 5.56 2.20 -1.26 -0.77 119.74 129.40 1bwy s LYS 79 Ca 0.00 -0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 55.33 1bwy s LYS 79 Cb 0.00 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1bwy s LYS 79 CO 0.00 0.62 0.54 0.14 -0.36 0.00 0.00 175.35 176.28 1bwy s VAL 80 N -0.57 0.00 -0.17 4.02 -7.23 0.26 -4.76 120.40 111.95 1bwy s VAL 80 Ca 0.12 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 1bwy s VAL 80 Cb -0.12 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1bwy s VAL 80 CO 0.02 0.00 0.07 -0.54 -0.31 0.00 0.00 175.10 174.34 1bwy s LYS 81 N -3.22 3.84 -0.44 4.82 1.02 0.12 -0.68 119.74 125.20 1bwy s LYS 81 Ca 0.25 -0.31 -0.20 0.00 0.02 0.00 0.00 55.97 55.73 1bwy s LYS 81 Cb -0.01 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1bwy s LYS 81 CO 0.15 0.38 0.61 -1.12 -0.92 0.00 0.00 175.35 174.45 1bwy s SER 82 N 0.08 6.29 -0.45 2.83 0.01 0.50 -0.42 113.70 122.54 1bwy s SER 82 Ca 0.06 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.75 1bwy s SER 82 Cb -0.12 -2.30 0.09 0.00 0.21 0.00 0.00 66.02 63.90 1bwy s SER 82 CO 0.00 -0.76 0.33 -0.63 0.41 0.00 0.00 173.24 172.59 1bwy s ILE 83 N 2.70 4.57 -0.03 1.44 1.01 0.45 -1.73 121.20 129.62 1bwy s ILE 83 Ca 0.20 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.54 1bwy s ILE 83 Cb -0.15 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1bwy s ILE 83 CO 0.17 -0.60 -0.25 -0.69 0.00 0.00 0.00 174.94 173.57 1bwy s VAL 84 N 1.49 2.08 0.06 2.92 1.01 0.08 -0.33 120.40 127.72 1bwy s VAL 84 Ca 0.04 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 1bwy s VAL 84 Cb -0.24 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1bwy s VAL 84 CO 0.03 0.58 0.36 -0.89 0.00 0.00 0.00 175.10 175.18 1bwy s THR 85 N -0.54 0.07 -0.01 3.92 2.01 -0.43 0.28 115.64 120.94 1bwy s THR 85 Ca 0.08 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1bwy s THR 85 Cb -0.11 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 1bwy s THR 85 CO -0.00 -0.33 0.07 -1.48 -0.69 0.00 0.00 174.62 172.19 1bwy s LEU 86 N -2.25 1.78 0.00 4.42 0.05 -1.26 -0.36 118.68 121.05 1bwy s LEU 86 Ca -0.03 -0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.06 1bwy s LEU 86 Cb 0.00 0.35 0.00 0.00 -2.05 0.00 0.00 46.19 44.49 1bwy s LEU 86 CO -0.05 -0.19 0.00 -0.90 -0.55 0.00 0.00 176.35 174.66 1bwy n ASP 87 N 2.26 1.26 -1.99 1.48 5.75 -1.25 -4.94 116.55 119.13 1bwy n ASP 87 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.51 1bwy n ASP 87 Cb 0.57 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.53 1bwy n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwy n GLY 88 N 0.00 2.71 0.76 6.12 0.00 -1.26 -3.19 105.19 110.33 1bwy n GLY 88 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 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 2.42 0.37 0.39 -0.02 0.00 -1.26 -5.16 105.19 101.93 1bwy n GLY 89 Ca 0.33 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.40 1bwy n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwy n LYS 90 N 0.00 -0.88 -2.52 1.61 5.02 -1.19 -4.66 118.16 115.54 1bwy n LYS 90 Ca -0.16 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 1bwy n LYS 90 Cb 0.54 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 1bwy n LYS 90 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1bwy s LEU 91 N -5.16 3.24 -0.52 -0.35 0.20 0.32 -3.83 118.68 112.59 1bwy s LEU 91 Ca 0.00 -0.25 -0.22 0.00 0.69 0.00 0.00 54.13 54.35 1bwy s LEU 91 Cb 0.00 -2.71 0.04 0.00 -0.43 0.00 0.00 46.19 43.10 1bwy s LEU 91 CO 0.00 -1.79 0.79 0.68 -0.29 0.00 0.00 176.35 175.74 1bwy s VAL 92 N 5.80 4.62 -0.73 1.68 -7.23 0.51 -0.83 120.40 124.22 1bwy s VAL 92 Ca 0.40 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 60.37 1bwy s VAL 92 Cb -0.08 -4.41 0.13 0.00 0.56 0.00 0.00 36.38 32.58 1bwy s VAL 92 CO 0.18 -0.93 0.85 -2.28 -0.31 0.00 0.00 175.10 172.61 1bwy s HIS 93 N 3.32 3.15 -0.18 2.82 5.04 0.19 -1.32 115.29 128.30 1bwy s HIS 93 Ca 0.24 -1.24 -0.28 0.00 -1.54 0.00 0.00 55.06 52.24 1bwy s HIS 93 Cb -0.15 -4.07 -0.00 0.00 0.04 0.00 0.00 32.58 28.40 1bwy s HIS 93 CO 0.17 -1.32 0.95 0.08 -2.34 0.00 0.00 174.74 172.28 1bwy s VAL 94 N 2.31 4.78 -0.38 0.89 1.01 0.55 -0.76 120.40 128.81 1bwy s VAL 94 Ca 0.19 1.87 0.01 0.00 0.00 0.00 0.00 61.98 64.05 1bwy s VAL 94 Cb -0.16 -4.24 0.11 0.00 0.00 0.00 0.00 36.38 32.09 1bwy s VAL 94 CO -0.00 -0.07 0.13 -1.58 0.00 0.00 0.00 175.10 173.57 1bwy s GLN 95 N 2.59 1.72 -0.22 2.72 2.00 0.34 -0.41 119.66 128.40 1bwy s GLN 95 Ca 0.42 -1.90 0.02 0.00 -2.00 0.00 0.00 55.36 51.90 1bwy s GLN 95 Cb -0.16 -3.37 0.04 0.00 0.80 0.00 0.00 33.01 30.32 1bwy s GLN 95 CO 0.11 -1.00 -0.15 0.21 -0.50 0.00 0.00 175.29 173.96 1bwy s LYS 96 N 0.93 2.64 -0.07 1.67 2.20 0.44 -0.49 119.74 127.06 1bwy s LYS 96 Ca 0.10 -1.08 -0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1bwy s LYS 96 Cb -0.21 -2.75 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1bwy s LYS 96 CO -0.06 -0.39 -0.11 -2.67 -0.36 0.00 0.00 175.35 171.76 1bwy n TRP 97 N 4.54 0.13 0.00 4.03 2.14 -1.19 0.12 117.44 127.21 1bwy n TRP 97 Ca -0.17 0.06 0.00 0.00 2.07 0.00 0.00 57.50 59.45 1bwy n TRP 97 Cb 0.46 -0.29 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 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 0.18 -0.67 6.94 -1.26 -4.81 115.26 112.40 1bwy n ASN 98 Ca -0.05 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.53 1bwy n ASN 98 Cb 0.17 0.05 0.35 0.00 -2.36 0.00 0.00 39.78 37.98 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 0.02 -2.27 4.83 0.00 -2.03 -3.43 103.07 100.19 1bwy h GLY 99 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 47.33 46.96 1bwy h GLY 99 CO 0.00 0.02 -0.57 1.20 0.00 0.00 0.00 176.54 177.18 1bwy s GLN 100 N -4.19 1.46 -0.04 4.80 1.11 -1.26 -5.17 119.66 116.37 1bwy s GLN 100 Ca -0.03 -1.81 -0.06 0.00 0.01 0.00 0.00 55.36 53.48 1bwy s GLN 100 Cb 0.14 0.15 0.01 0.00 -1.01 0.00 0.00 33.01 32.30 1bwy s GLN 100 CO 0.73 -0.46 0.15 -1.83 0.01 0.00 0.00 175.29 173.88 1bwy s GLU 101 N -3.89 0.24 0.06 2.91 -1.05 -1.26 -3.15 118.70 112.57 1bwy s GLU 101 Ca 0.38 0.07 0.04 0.00 -0.15 0.00 0.00 54.97 55.31 1bwy s GLU 101 Cb 0.05 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1bwy s GLU 101 CO 0.17 -0.04 -0.01 -0.08 0.95 0.00 0.00 175.26 176.25 1bwy s THR 102 N -0.26 4.00 -0.35 1.83 -1.32 0.35 -4.81 115.64 115.09 1bwy s THR 102 Ca -0.03 -0.90 -0.11 0.00 -1.21 0.00 0.00 61.69 59.44 1bwy s THR 102 Cb -0.03 -2.87 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 1bwy s THR 102 CO 0.00 0.20 0.19 -0.94 -2.21 0.00 0.00 174.62 171.86 1bwy s SER 103 N -2.07 5.69 -0.81 8.08 1.04 -0.13 -0.50 113.70 124.98 1bwy s SER 103 Ca 0.24 -0.76 -0.17 0.00 0.48 0.00 0.00 55.95 55.74 1bwy s SER 103 Cb -0.12 -2.03 0.17 0.00 0.10 0.00 0.00 66.02 64.15 1bwy s SER 103 CO 0.16 -0.30 0.87 -0.76 0.98 0.00 0.00 173.24 174.19 1bwy s LEU 104 N 1.59 5.92 -0.22 2.42 1.43 0.06 -1.80 118.68 128.09 1bwy s LEU 104 Ca 0.03 -2.22 -0.08 0.00 -1.03 0.00 0.00 54.13 50.83 1bwy s LEU 104 Cb -0.18 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1bwy s LEU 104 CO 0.07 -0.84 0.09 0.54 0.23 0.00 0.00 176.35 176.44 1bwy s VAL 105 N 1.51 4.84 -0.02 -1.59 0.11 -0.41 -0.64 120.40 124.21 1bwy s VAL 105 Ca 0.21 -0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1bwy s VAL 105 Cb -0.11 -3.23 -0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1bwy s VAL 105 CO -0.06 0.39 -0.11 0.00 -3.33 0.00 0.00 175.10 172.00 1bwy s ARG 106 N 0.88 1.04 -0.04 1.54 1.70 -0.01 -0.82 118.95 123.22 1bwy s ARG 106 Ca 0.05 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 1bwy s ARG 106 Cb -0.13 -0.97 0.08 0.00 -0.57 0.00 0.00 34.95 33.36 1bwy s ARG 106 CO 0.03 0.18 0.73 -2.00 -1.08 0.00 0.00 175.30 173.16 1bwy s GLU 107 N -0.00 0.99 -0.24 3.89 2.12 -1.20 -0.52 118.70 123.74 1bwy s GLU 107 Ca -0.00 0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.40 1bwy s GLU 107 Cb -0.07 0.47 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 1bwy s GLU 107 CO 0.00 -0.33 0.05 1.41 -0.54 0.00 0.00 175.26 175.85 1bwy s MET 108 N -1.54 3.62 0.08 4.30 -2.45 -1.26 -0.39 119.30 121.66 1bwy s MET 108 Ca -0.07 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.87 1bwy s MET 108 Cb -0.00 -3.26 -0.00 0.00 1.25 0.00 0.00 34.83 32.82 1bwy s MET 108 CO 0.05 -0.17 0.02 1.33 1.05 0.00 0.00 175.02 177.30 1bwy n VAL 109 N 4.83 0.00 0.00 10.11 0.24 -1.05 -4.97 118.33 127.49 1bwy n VAL 109 Ca -0.17 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1bwy n VAL 109 Cb 0.51 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.67 0.00 -0.51 -1.34 2.03 -1.26 -1.05 116.55 112.75 1bwy n ASP 110 Ca -0.02 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.31 1bwy n ASP 110 Cb 0.11 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.55 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 1.42 3.10 0.27 0.00 -1.26 -5.11 105.19 103.61 1bwy n GLY 111 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 0.42 -0.43 1.61 1.02 -0.22 -4.50 119.74 117.06 1bwy s LYS 112 Ca 0.09 -0.22 -0.13 0.00 0.02 0.00 0.00 55.97 55.73 1bwy s LYS 112 Cb 0.09 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.64 1bwy s LYS 112 CO -0.01 -0.09 0.31 -1.17 -0.92 0.00 0.00 175.35 173.47 1bwy s LEU 113 N -0.99 5.26 -0.79 3.17 0.20 0.45 -2.54 118.68 123.44 1bwy s LEU 113 Ca -0.11 -1.25 -0.22 0.00 0.69 0.00 0.00 54.13 53.24 1bwy s LEU 113 Cb -0.06 -2.10 0.07 0.00 -0.43 0.00 0.00 46.19 43.68 1bwy s LEU 113 CO 0.01 -0.54 1.13 -0.63 -0.29 0.00 0.00 176.35 176.03 1bwy s ILE 114 N 1.58 4.25 -0.53 6.68 -1.09 0.48 -0.44 121.20 132.12 1bwy s ILE 114 Ca 0.03 -0.57 -0.24 0.00 -2.23 0.00 0.00 60.65 57.64 1bwy s ILE 114 Cb -0.22 -4.80 0.04 0.00 -1.58 0.00 0.00 42.46 35.89 1bwy s ILE 114 CO 0.06 -1.61 0.93 -0.22 -1.23 0.00 0.00 174.94 172.87 1bwy s LEU 115 N 4.17 4.09 -0.11 2.97 2.96 -1.17 -3.26 118.68 128.32 1bwy s LEU 115 Ca 0.30 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 1bwy s LEU 115 Cb -0.10 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1bwy s LEU 115 CO 0.03 -1.18 0.28 -0.89 -1.32 0.00 0.00 176.35 173.27 1bwy s THR 116 N 3.89 5.29 -0.38 3.68 2.01 -0.00 -0.46 115.64 129.66 1bwy s THR 116 Ca 0.32 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.86 1bwy s THR 116 Cb -0.12 -3.60 0.12 0.00 0.01 0.00 0.00 72.50 68.91 1bwy s THR 116 CO 0.21 0.49 0.18 -0.22 -0.69 0.00 0.00 174.62 174.58 1bwy s LEU 117 N -0.23 2.38 -0.15 4.42 2.96 0.13 -1.28 118.68 126.91 1bwy s LEU 117 Ca 0.18 -2.18 0.01 0.00 -0.22 0.00 0.00 54.13 51.92 1bwy s LEU 117 Cb -0.14 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1bwy s LEU 117 CO 0.06 -0.33 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.69 1bwy s THR 118 N 0.94 2.42 -0.23 3.68 2.01 -0.75 -0.27 115.64 123.44 1bwy s THR 118 Ca 0.14 -0.85 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 1bwy s THR 118 Cb -0.21 -2.01 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 1bwy s THR 118 CO -0.10 0.53 -0.29 1.57 -0.69 0.00 0.00 174.62 175.64 1bwy n HIS 119 N 4.09 0.00 0.00 4.92 -0.00 -0.82 -0.96 115.22 122.45 1bwy n HIS 119 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1bwy n HIS 119 Cb 0.52 -0.83 0.00 0.00 -0.12 0.00 0.00 29.99 29.55 1bwy n HIS 119 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bwy n GLY 120 N 1.60 3.51 5.00 1.57 0.00 -1.26 -4.64 105.19 110.97 1bwy n GLY 120 Ca -0.45 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 0.00 -2.33 2.61 -1.04 -1.26 -4.78 114.28 107.48 1bwy n THR 121 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1bwy n THR 121 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 0.00 3.46 -0.09 2.41 0.00 -1.26 -5.03 121.76 121.24 1bwy s ALA 122 Ca 0.00 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1bwy s ALA 122 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1bwy s ALA 122 CO 0.00 -0.43 0.25 0.54 0.00 0.00 0.00 175.76 176.12 1bwy s VAL 123 N 0.12 -0.01 -0.03 0.00 0.11 -1.26 -1.95 120.40 117.39 1bwy s VAL 123 Ca 0.55 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.60 1bwy s VAL 123 Cb -0.33 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1bwy s VAL 123 CO 0.36 0.01 0.07 0.00 -3.33 0.00 0.00 175.10 172.21 1bwy s THR 125 N 0.36 4.90 -0.40 0.00 -4.23 -1.20 -0.69 115.64 114.39 1bwy s THR 125 Ca -0.03 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1bwy s THR 125 Cb -0.04 -3.63 0.22 0.00 1.34 0.00 0.00 72.50 70.39 1bwy s THR 125 CO -0.01 -0.04 0.47 0.54 -0.54 0.00 0.00 174.62 175.03 1bwy n ARG 126 N -0.05 0.53 -1.68 3.99 1.74 0.39 -3.93 116.66 117.65 1bwy n ARG 126 Ca 0.00 -3.17 -0.45 0.00 -0.77 0.00 0.00 57.85 53.45 1bwy n ARG 126 Cb 0.52 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1bwy n ARG 126 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1bwy n THR 127 N 1.90 0.46 -4.19 0.55 -1.04 -1.26 -3.06 114.28 107.63 1bwy n THR 127 Ca 0.24 -0.08 -0.25 0.00 -2.04 0.00 0.00 64.05 61.92 1bwy n THR 127 Cb 0.52 -1.96 -0.07 0.00 -1.82 0.00 0.00 70.33 67.00 1bwy n THR 127 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1bwy s TYR 128 N 3.23 2.90 -0.14 -1.42 2.02 0.41 -0.64 117.35 123.72 1bwy s TYR 128 Ca 0.87 -0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 57.43 1bwy s TYR 128 Cb -0.59 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1bwy s TYR 128 CO 0.44 0.54 -0.10 -2.00 -1.57 0.00 0.00 175.55 172.87 1bwy s GLU 129 N -3.33 1.81 -0.59 -0.62 2.12 0.50 -0.41 118.70 118.18 1bwy s GLU 129 Ca 0.30 -0.44 -0.25 0.00 0.36 0.00 0.00 54.97 54.94 1bwy s GLU 129 Cb -0.08 -1.89 0.04 0.00 0.26 0.00 0.00 34.13 32.46 1bwy s GLU 129 CO 0.21 -0.30 1.00 0.21 -0.54 0.00 0.00 175.26 175.84 1bwy s LYS 130 N 1.60 3.30 0.46 4.30 2.20 -1.26 -0.74 119.74 129.61 1bwy s LYS 130 Ca 0.04 -0.30 0.26 0.00 -0.36 0.00 0.00 55.97 55.60 1bwy s LYS 130 Cb -0.13 -4.09 0.61 0.00 -1.51 0.00 0.00 37.83 32.71 1bwy s LYS 130 CO -0.09 -1.62 1.71 -0.56 -0.36 0.00 0.00 175.35 174.43 1bwy h GLN 131 N 9.44 0.00 0.00 4.03 -0.00 -1.80 -3.49 115.11 123.29 1bwy h GLN 131 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1bwy h GLN 131 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.55 1bwy h GLN 131 CO 1.13 0.02 0.00 0.00 -0.00 0.00 0.00 178.83 179.98