#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwy h ASP 2 N 0.00 0.50 0.89 6.55 5.19 -2.01 0.16 116.42 127.71 1bwy h ASP 2 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1bwy h ASP 2 Cb 0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1bwy h ASP 2 CO 0.00 0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.26 1bwy h ALA 3 N 1.62 1.00 0.00 3.45 0.00 -2.02 -3.35 119.26 119.96 1bwy h ALA 3 Ca 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 1bwy h ALA 3 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1bwy h ALA 3 CO -0.28 0.00 -1.13 1.19 0.00 0.00 0.00 179.25 179.03 1bwy n PHE 4 N -2.35 0.00 -1.52 0.00 3.72 0.28 -4.14 117.46 113.45 1bwy n PHE 4 Ca 0.02 0.00 -0.61 0.00 -0.05 0.00 0.00 57.45 56.82 1bwy n PHE 4 Cb 0.27 -0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 38.48 1bwy n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1bwy n VAL 5 N -3.43 0.09 -0.13 -4.37 0.31 0.30 -4.58 118.33 106.51 1bwy n VAL 5 Ca -0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1bwy n VAL 5 Cb 0.49 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 5.68 0.08 3.69 2.92 0.00 0.23 -4.93 105.19 112.88 1bwy n GLY 6 Ca 0.40 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.38 5.28 0.23 2.61 2.01 0.33 -0.52 115.64 124.20 1bwy s THR 7 Ca 0.00 0.52 0.11 0.00 0.31 0.00 0.00 61.69 62.63 1bwy s THR 7 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1bwy s THR 7 CO 0.00 0.33 -0.15 0.26 -0.69 0.00 0.00 174.62 174.37 1bwy s TRP 8 N 0.88 2.44 0.13 4.92 0.52 0.09 -0.27 118.94 127.64 1bwy s TRP 8 Ca 0.15 -0.30 0.11 0.00 0.02 0.00 0.00 56.10 56.09 1bwy s TRP 8 Cb -0.14 -1.13 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1bwy s TRP 8 CO 0.05 0.60 -0.27 0.15 0.02 0.00 0.00 176.95 177.51 1bwy s LYS 9 N -3.18 1.39 0.60 4.98 1.02 -0.52 -0.46 119.74 123.57 1bwy s LYS 9 Ca 0.27 -1.33 -0.20 0.00 0.02 0.00 0.00 55.97 54.73 1bwy s LYS 9 Cb -0.07 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1bwy s LYS 9 CO 0.15 0.44 1.28 -0.11 -0.92 0.00 0.00 175.35 176.18 1bwy n LEU 10 N 0.93 5.51 0.08 3.17 0.00 -0.35 -0.53 117.00 125.81 1bwy n LEU 10 Ca -0.18 0.89 0.00 0.00 0.00 0.00 0.00 56.01 56.72 1bwy n LEU 10 Cb 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 43.42 42.41 1bwy n LEU 10 CO 0.23 -0.94 -0.05 0.55 0.00 0.00 0.00 177.39 177.18 1bwy n VAL 11 N -1.52 0.28 -4.10 1.96 3.14 -0.32 -4.77 118.33 112.99 1bwy n VAL 11 Ca 0.13 0.09 -0.31 0.00 -2.96 0.00 0.00 64.34 61.30 1bwy n VAL 11 Cb 0.46 -0.85 -0.07 0.00 -1.06 0.00 0.00 33.84 32.33 1bwy n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bwy s ASP 12 N -5.22 5.38 -0.06 6.55 1.01 -1.19 -4.98 116.67 118.16 1bwy s ASP 12 Ca 0.00 -0.03 -0.29 0.00 0.71 0.00 0.00 52.55 52.94 1bwy s ASP 12 Cb 0.00 -1.42 0.10 0.00 1.01 0.00 0.00 42.92 42.62 1bwy s ASP 12 CO 0.00 0.20 0.87 -0.55 0.21 0.00 0.00 175.17 175.90 1bwy s SER 13 N -2.19 -0.43 -0.05 0.27 0.15 -1.26 -0.24 113.70 109.94 1bwy s SER 13 Ca 0.27 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 57.08 1bwy s SER 13 Cb -0.12 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1bwy s SER 13 CO 0.19 -0.53 0.29 -0.54 1.20 0.00 0.00 173.24 173.84 1bwy s LYS 14 N -2.02 0.52 -1.15 5.44 -0.14 -0.21 -4.97 119.74 117.21 1bwy s LYS 14 Ca -0.01 0.03 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 1bwy s LYS 14 Cb -0.01 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.38 1bwy s LYS 14 CO -0.02 -0.12 0.00 0.09 -0.76 0.00 0.00 175.35 174.55 1bwy n ASN 15 N 1.96 -4.74 -0.31 2.83 4.13 -1.26 -1.41 115.26 116.46 1bwy n ASN 15 Ca -0.18 0.27 -0.00 0.00 1.68 0.00 0.00 54.58 56.35 1bwy n ASN 15 Cb 0.57 -3.20 0.18 0.00 -1.54 0.00 0.00 39.78 35.79 1bwy n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1bwy h PHE 16 N 0.00 1.12 -0.78 3.10 3.57 -1.93 -1.58 116.94 120.44 1bwy h PHE 16 Ca -0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1bwy h PHE 16 Cb 0.85 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1bwy h PHE 16 CO 0.40 0.69 0.47 -0.44 -2.23 0.00 0.00 178.31 177.19 1bwy h ASP 17 N 1.19 0.94 -0.26 0.41 5.19 -1.95 -0.18 116.42 121.76 1bwy h ASP 17 Ca 0.34 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.70 1bwy h ASP 17 Cb -0.09 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.16 1bwy h ASP 17 CO -0.08 0.73 0.12 -0.78 -3.12 0.00 0.00 179.24 176.11 1bwy h ASP 18 N 1.07 0.17 -0.02 6.45 3.58 -1.71 0.21 116.42 126.17 1bwy h ASP 18 Ca 0.28 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.78 1bwy h ASP 18 Cb -0.03 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1bwy h ASP 18 CO -0.05 0.13 -0.37 0.22 -2.88 0.00 0.00 179.24 176.29 1bwy h TYR 19 N 0.25 -1.03 -0.53 0.28 3.20 -0.72 -1.84 116.97 116.58 1bwy h TYR 19 Ca 0.11 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.12 1bwy h TYR 19 Cb 0.05 0.46 -0.10 0.00 1.54 0.00 0.00 36.73 38.67 1bwy h TYR 19 CO -0.10 -0.45 -0.16 1.98 -1.64 0.00 0.00 178.16 177.78 1bwy h MET 20 N -0.51 -0.03 -2.49 1.82 4.05 -0.65 -0.75 114.93 116.37 1bwy h MET 20 Ca 0.06 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.17 1bwy h MET 20 Cb 0.61 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1bwy h MET 20 CO -0.30 -0.02 1.08 1.17 0.23 0.00 0.00 176.91 179.06 1bwy n LYS 21 N -5.39 2.27 0.00 0.39 0.00 0.69 -0.63 118.16 115.48 1bwy n LYS 21 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 58.31 57.10 1bwy n LYS 21 Cb 0.30 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.12 1bwy n LYS 21 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bwy n SER 22 N 3.00 -0.00 0.10 3.14 3.41 -1.15 -4.93 113.62 117.18 1bwy n SER 22 Ca 0.49 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 59.11 1bwy n SER 22 Cb 0.58 0.06 0.35 0.00 -0.26 0.00 0.00 64.21 64.94 1bwy n SER 22 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bwy h LEU 23 N 0.00 0.27 0.48 1.04 5.85 -0.80 -3.47 115.31 118.68 1bwy h LEU 23 Ca 0.00 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1bwy h LEU 23 Cb 0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1bwy h LEU 23 CO 0.00 0.45 -0.12 0.61 -0.34 0.00 0.00 178.44 179.03 1bwy n GLY 24 N -0.77 0.56 2.31 3.75 0.00 0.20 -4.92 105.19 106.31 1bwy n GLY 24 Ca -0.01 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1bwy n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bwy n VAL 25 N -3.29 3.73 -1.56 1.61 0.24 -1.26 -4.81 118.33 112.99 1bwy n VAL 25 Ca -0.06 -2.73 -0.00 0.00 -2.04 0.00 0.00 64.34 59.51 1bwy n VAL 25 Cb 0.33 -1.95 -0.00 0.00 -1.47 0.00 0.00 33.84 30.74 1bwy n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bwy n GLY 26 N 1.91 -4.00 0.23 7.63 0.00 -1.26 -4.25 105.19 105.45 1bwy n GLY 26 Ca 0.54 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1bwy n GLY 26 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1bwy h PHE 27 N 1.67 -0.52 -0.86 1.61 3.57 -1.93 -0.52 116.94 119.95 1bwy h PHE 27 Ca -0.02 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.60 1bwy h PHE 27 Cb 0.04 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 1bwy h PHE 27 CO 0.00 -0.33 0.46 0.00 -2.23 0.00 0.00 178.31 176.22 1bwy h ALA 28 N -1.64 1.29 -0.33 2.41 0.00 -1.98 0.77 119.26 119.76 1bwy h ALA 28 Ca -0.06 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1bwy h ALA 28 Cb 0.43 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1bwy h ALA 28 CO 0.09 -0.03 -0.18 1.15 0.00 0.00 0.00 179.25 180.28 1bwy h THR 29 N 0.68 0.47 -0.16 0.00 2.02 -1.85 0.35 112.91 114.43 1bwy h THR 29 Ca 0.46 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.47 1bwy h THR 29 Cb 0.59 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1bwy h THR 29 CO -0.33 0.00 -0.55 0.03 0.37 0.00 0.00 175.52 175.03 1bwy h ARG 30 N -0.14 0.65 -0.21 6.66 2.47 -0.30 -0.37 114.38 123.15 1bwy h ARG 30 Ca 0.17 -0.49 0.05 0.00 -1.26 0.00 0.00 59.98 58.45 1bwy h ARG 30 Cb 0.40 0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.73 1bwy h ARG 30 CO -0.42 1.11 -0.42 1.96 0.56 0.00 0.00 179.97 182.77 1bwy h GLN 31 N 0.32 -0.43 0.16 0.04 4.20 -0.33 0.77 115.11 119.85 1bwy h GLN 31 Ca -0.03 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1bwy h GLN 31 Cb 1.18 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1bwy h GLN 31 CO 0.12 -0.28 -0.08 -0.24 -0.67 0.00 0.00 178.83 177.68 1bwy h VAL 32 N -0.44 0.94 0.00 -0.54 3.04 -1.02 -0.35 116.25 117.88 1bwy h VAL 32 Ca 0.09 -0.52 -0.05 0.00 -1.01 0.00 0.00 66.70 65.22 1bwy h VAL 32 Cb 0.61 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 1bwy h VAL 32 CO -0.44 0.12 -0.09 0.61 -1.01 0.00 0.00 177.57 176.76 1bwy n GLY 33 N -0.50 2.55 0.00 3.17 0.00 -0.15 -1.56 105.19 108.71 1bwy n GLY 33 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 1.77 0.00 0.08 1.61 0.23 0.22 -4.78 115.26 114.39 1bwy n ASN 34 Ca 0.11 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 54.04 1bwy n ASN 34 Cb 0.58 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.24 1bwy n ASN 34 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1bwy h MET 35 N 0.00 0.27 -7.28 -3.83 4.05 -0.87 -3.44 114.93 103.84 1bwy h MET 35 Ca 0.00 -0.32 -0.47 0.00 -0.28 0.00 0.00 59.70 58.63 1bwy h MET 35 Cb 0.00 0.10 0.17 0.00 -0.80 0.00 0.00 31.60 31.07 1bwy h MET 35 CO 0.00 1.04 0.17 -0.08 0.23 0.00 0.00 176.91 178.27 1bwy s THR 36 N -3.12 2.28 -0.85 -0.77 -1.32 -0.60 -5.01 115.64 106.25 1bwy s THR 36 Ca -0.04 0.09 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1bwy s THR 36 Cb 0.09 -2.40 0.21 0.00 -1.51 0.00 0.00 72.50 68.89 1bwy s THR 36 CO 0.85 -0.12 0.72 -0.75 -2.21 0.00 0.00 174.62 173.11 1bwy s LYS 37 N -4.77 3.12 0.69 7.08 2.20 -1.26 -4.95 119.74 121.84 1bwy s LYS 37 Ca 0.66 -3.28 -0.12 0.00 -0.36 0.00 0.00 55.97 52.87 1bwy s LYS 37 Cb -0.21 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.26 1bwy s LYS 37 CO 0.59 -1.27 1.07 -1.25 -0.36 0.00 0.00 175.35 174.14 1bwy s PRO 38 N -1.34 2.87 0.77 4.03 0.04 -1.26 -4.68 135.00 135.42 1bwy s PRO 38 Ca 0.27 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1bwy s PRO 38 Cb -0.07 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1bwy s PRO 38 CO -0.13 -1.16 1.10 0.95 0.04 0.00 0.00 177.00 177.80 1bwy s THR 39 N -2.88 3.20 -0.11 1.26 -4.23 -1.06 -1.21 115.64 110.60 1bwy s THR 39 Ca 0.60 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 61.46 1bwy s THR 39 Cb -0.15 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.55 1bwy s THR 39 CO 0.51 -0.51 0.22 -0.89 -0.54 0.00 0.00 174.62 173.41 1bwy s THR 40 N -3.20 -0.29 -0.02 3.99 2.01 0.39 -3.72 115.64 114.80 1bwy s THR 40 Ca 0.60 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.70 1bwy s THR 40 Cb -0.14 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1bwy s THR 40 CO 0.54 0.12 0.51 -0.63 -0.69 0.00 0.00 174.62 174.46 1bwy s ILE 41 N 2.15 4.99 -0.26 1.82 1.01 0.04 -0.73 121.20 130.22 1bwy s ILE 41 Ca -0.00 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 1bwy s ILE 41 Cb -0.12 -3.84 0.08 0.00 0.01 0.00 0.00 42.46 38.60 1bwy s ILE 41 CO -0.07 0.45 0.07 -0.63 0.00 0.00 0.00 174.94 174.76 1bwy s ILE 42 N -0.32 0.68 -0.34 2.92 1.01 0.32 -0.29 121.20 125.17 1bwy s ILE 42 Ca 0.27 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1bwy s ILE 42 Cb -0.17 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1bwy s ILE 42 CO 0.14 -0.47 0.11 -1.61 0.00 0.00 0.00 174.94 173.12 1bwy s GLU 43 N 1.75 2.58 -1.01 2.79 2.02 -0.03 -0.60 118.70 126.19 1bwy s GLU 43 Ca 0.05 -1.23 -0.23 0.00 0.02 0.00 0.00 54.97 53.57 1bwy s GLU 43 Cb -0.17 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.60 1bwy s GLU 43 CO -0.19 -0.70 1.68 0.08 0.02 0.00 0.00 175.26 176.15 1bwy s VAL 44 N 1.38 3.75 0.87 2.63 1.01 -1.26 -0.80 120.40 127.98 1bwy s VAL 44 Ca -0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1bwy s VAL 44 Cb -0.20 -4.67 -0.01 0.00 0.00 0.00 0.00 36.38 31.49 1bwy s VAL 44 CO 0.02 -1.54 0.32 0.59 0.00 0.00 0.00 175.10 174.48 1bwy n ASN 45 N 10.95 -2.21 -0.13 3.32 4.13 -0.57 -4.83 115.26 125.92 1bwy n ASN 45 Ca 0.38 0.41 -0.03 0.00 1.68 0.00 0.00 54.58 57.01 1bwy n ASN 45 Cb 0.49 -1.16 -0.03 0.00 -1.54 0.00 0.00 39.78 37.54 1bwy n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bwy n GLY 46 N 1.77 -0.77 0.05 7.41 0.00 -1.26 -0.92 105.19 111.47 1bwy n GLY 46 Ca 0.07 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.38 1.73 -1.45 1.61 5.75 -1.26 -5.08 116.55 113.46 1bwy n ASP 47 Ca 0.01 -2.20 -0.03 0.00 -0.01 0.00 0.00 54.79 52.55 1bwy n ASP 47 Cb 0.08 -0.14 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 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 -0.68 0.00 -3.68 2.12 -2.24 -0.09 -4.78 114.28 104.92 1bwy n THR 48 Ca 0.05 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1bwy n THR 48 Cb 0.43 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.51 0.04 -0.07 2.28 0.11 0.29 -1.52 120.40 119.02 1bwy s VAL 49 Ca 0.07 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1bwy s VAL 49 Cb -0.00 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1bwy s VAL 49 CO 0.05 -0.17 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.02 1bwy s ILE 50 N -1.22 1.16 -0.21 7.04 2.07 0.02 -0.57 121.20 129.50 1bwy s ILE 50 Ca -0.12 -0.48 -0.07 0.00 -1.41 0.00 0.00 60.65 58.57 1bwy s ILE 50 Cb -0.03 -1.07 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 1bwy s ILE 50 CO 0.06 0.36 0.04 -0.63 -1.91 0.00 0.00 174.94 172.87 1bwy s ILE 51 N 0.76 4.35 -0.33 2.00 1.01 0.04 -0.85 121.20 128.18 1bwy s ILE 51 Ca -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1bwy s ILE 51 Cb -0.16 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.40 1bwy s ILE 51 CO 0.03 0.41 0.06 -0.54 0.00 0.00 0.00 174.94 174.89 1bwy s LYS 52 N 0.98 2.19 -1.48 2.79 1.02 0.61 -0.19 119.74 125.66 1bwy s LYS 52 Ca 0.03 -1.49 -0.10 0.00 0.02 0.00 0.00 55.97 54.43 1bwy s LYS 52 Cb -0.14 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1bwy s LYS 52 CO 0.03 -0.78 2.56 0.25 -0.92 0.00 0.00 175.35 176.49 1bwy n THR 53 N 4.56 4.39 -2.34 2.17 -2.24 -0.17 -0.78 114.28 119.88 1bwy n THR 53 Ca -0.08 -3.30 -0.38 0.00 -2.27 0.00 0.00 64.05 58.02 1bwy n THR 53 Cb 0.43 -2.45 -0.02 0.00 -2.10 0.00 0.00 70.33 66.18 1bwy n THR 53 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bwy s GLN 54 N 1.34 4.05 0.25 -0.78 -0.21 -1.24 -3.94 119.66 119.12 1bwy s GLN 54 Ca 0.58 1.77 -0.20 0.00 0.02 0.00 0.00 55.36 57.54 1bwy s GLN 54 Cb 0.16 -2.63 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1bwy s GLN 54 CO -0.07 -0.31 0.65 0.45 -2.12 0.00 0.00 175.29 173.90 1bwy s SER 55 N -1.23 -0.28 -1.09 5.90 0.15 0.18 -2.58 113.70 114.75 1bwy s SER 55 Ca 0.58 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 1bwy s SER 55 Cb -0.29 0.68 -0.13 0.00 -1.71 0.00 0.00 66.02 64.57 1bwy s SER 55 CO 0.36 -1.24 3.13 1.07 1.20 0.00 0.00 173.24 177.76 1bwy n THR 56 N -0.43 3.95 0.02 6.45 5.66 -1.26 -3.54 114.28 125.13 1bwy n THR 56 Ca -0.06 -2.36 0.00 0.00 -3.05 0.00 0.00 64.05 58.58 1bwy n THR 56 Cb 0.60 -2.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.01 1bwy n THR 56 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1bwy n PHE 57 N 3.09 -1.37 -4.01 1.09 7.35 -1.26 -5.14 117.46 117.21 1bwy n PHE 57 Ca 0.66 0.12 -0.12 0.00 -0.76 0.00 0.00 57.45 57.35 1bwy n PHE 57 Cb 0.45 0.49 -0.12 0.00 0.35 0.00 0.00 39.48 40.65 1bwy n PHE 57 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1bwy s LYS 58 N -2.00 0.31 -0.35 -4.13 -2.85 -1.23 -5.09 119.74 104.40 1bwy s LYS 58 Ca 0.00 -0.44 0.14 0.00 -1.00 0.00 0.00 55.97 54.68 1bwy s LYS 58 Cb 0.00 -0.11 0.43 0.00 -2.06 0.00 0.00 37.83 36.10 1bwy s LYS 58 CO 0.00 0.01 1.13 0.09 0.10 0.00 0.00 175.35 176.68 1bwy n ASN 59 N 2.13 0.05 -4.86 0.03 4.13 -1.26 -0.65 115.26 114.85 1bwy n ASN 59 Ca -0.19 -2.59 -0.32 0.00 1.68 0.00 0.00 54.58 53.16 1bwy n ASN 59 Cb 0.57 0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 38.87 1bwy n ASN 59 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1bwy s THR 60 N -1.75 4.70 0.02 3.41 -4.23 -1.25 -4.86 115.64 111.67 1bwy s THR 60 Ca 0.25 0.88 0.08 0.00 -1.18 0.00 0.00 61.69 61.72 1bwy s THR 60 Cb 0.43 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1bwy s THR 60 CO -0.02 -0.29 -0.24 -1.83 -0.54 0.00 0.00 174.62 171.70 1bwy s GLU 61 N -3.25 1.76 -0.37 3.99 -1.05 -1.26 -1.00 118.70 117.52 1bwy s GLU 61 Ca 0.54 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1bwy s GLU 61 Cb -0.10 -1.84 0.12 0.00 -0.44 0.00 0.00 34.13 31.87 1bwy s GLU 61 CO 0.21 0.49 0.18 0.42 0.95 0.00 0.00 175.26 177.51 1bwy s ILE 62 N -0.72 0.86 -0.22 1.83 1.01 0.73 -4.68 121.20 120.01 1bwy s ILE 62 Ca 0.10 -1.88 -0.08 0.00 0.00 0.00 0.00 60.65 58.80 1bwy s ILE 62 Cb -0.09 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1bwy s ILE 62 CO 0.01 -0.83 0.08 -0.94 0.00 0.00 0.00 174.94 173.25 1bwy s SER 63 N 1.03 5.46 0.26 3.58 1.04 -1.26 -0.78 113.70 123.03 1bwy s SER 63 Ca 0.15 -0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.32 1bwy s SER 63 Cb -0.21 -1.96 0.03 0.00 0.10 0.00 0.00 66.02 63.98 1bwy s SER 63 CO -0.10 0.08 0.77 0.72 0.98 0.00 0.00 173.24 175.68 1bwy s PHE 64 N 0.97 -0.16 -0.17 5.02 -0.71 0.27 -4.97 117.98 118.22 1bwy s PHE 64 Ca 0.04 -0.28 -0.16 0.00 -1.04 0.00 0.00 56.93 55.49 1bwy s PHE 64 Cb -0.14 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 1bwy s PHE 64 CO 0.03 -1.18 0.41 0.21 -1.34 0.00 0.00 175.22 173.35 1bwy s LYS 65 N -3.70 4.24 -1.17 1.99 2.47 -1.26 -0.55 119.74 121.76 1bwy s LYS 65 Ca 0.12 0.27 -0.13 0.00 -1.56 0.00 0.00 55.97 54.67 1bwy s LYS 65 Cb -0.05 -3.49 -0.07 0.00 -1.46 0.00 0.00 37.83 32.76 1bwy s LYS 65 CO 0.06 0.06 2.29 1.47 0.16 0.00 0.00 175.35 179.39 1bwy n LEU 66 N 4.10 6.05 0.00 5.43 -0.00 -1.26 -3.39 117.00 127.93 1bwy n LEU 66 Ca -0.08 -3.51 0.00 0.00 -0.00 0.00 0.00 56.01 52.41 1bwy n LEU 66 Cb 0.51 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.60 1bwy n LEU 66 CO 0.41 0.82 0.00 0.61 -0.00 0.00 0.00 177.39 179.23 1bwy n GLY 67 N 3.99 -1.01 3.78 1.47 0.00 -0.74 -4.50 105.19 108.18 1bwy n GLY 67 Ca 0.55 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.87 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 0.06 1.61 0.11 -0.09 -4.98 120.40 117.11 1bwy s VAL 68 Ca 0.00 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1bwy s VAL 68 Cb 0.00 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1bwy s VAL 68 CO 0.00 0.00 0.03 -1.83 -3.33 0.00 0.00 175.10 169.97 1bwy s GLU 69 N -2.66 2.75 0.24 1.54 -1.05 -1.26 -0.86 118.70 117.40 1bwy s GLU 69 Ca 0.17 -0.72 -0.14 0.00 -0.15 0.00 0.00 54.97 54.14 1bwy s GLU 69 Cb -0.00 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1bwy s GLU 69 CO 0.02 0.57 0.49 -0.59 0.95 0.00 0.00 175.26 176.71 1bwy s PHE 70 N -1.28 0.27 -0.23 4.83 -0.71 0.29 -4.98 117.98 116.17 1bwy s PHE 70 Ca 0.25 -0.64 -0.18 0.00 -1.04 0.00 0.00 56.93 55.32 1bwy s PHE 70 Cb -0.12 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.90 1bwy s PHE 70 CO 0.18 -1.00 0.51 0.34 -1.34 0.00 0.00 175.22 173.91 1bwy s ASP 71 N -3.00 6.48 -0.05 1.98 -1.08 -1.26 -0.15 116.67 119.59 1bwy s ASP 71 Ca 0.20 0.58 0.05 0.00 -0.52 0.00 0.00 52.55 52.86 1bwy s ASP 71 Cb -0.01 -2.28 -0.02 0.00 -1.46 0.00 0.00 42.92 39.15 1bwy s ASP 71 CO 0.07 -0.24 -0.19 -0.70 0.52 0.00 0.00 175.17 174.64 1bwy s GLU 72 N 2.01 2.50 -0.20 4.34 2.12 0.24 -4.90 118.70 124.81 1bwy s GLU 72 Ca 0.22 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 1bwy s GLU 72 Cb -0.15 -2.28 0.07 0.00 0.26 0.00 0.00 34.13 32.02 1bwy s GLU 72 CO 0.09 0.52 0.08 0.99 -0.54 0.00 0.00 175.26 176.41 1bwy s THR 73 N -0.49 0.07 -0.07 -1.70 2.01 -1.26 -0.42 115.64 113.77 1bwy s THR 73 Ca 0.06 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1bwy s THR 73 Cb -0.12 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.66 1bwy s THR 73 CO 0.01 -0.34 -0.12 0.28 -0.69 0.00 0.00 174.62 173.76 1bwy s THR 74 N 2.06 1.14 0.00 -0.82 -1.32 -0.18 -4.66 115.64 111.87 1bwy s THR 74 Ca 0.03 -0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 60.01 1bwy s THR 74 Cb -0.16 -1.05 -0.09 0.00 -1.51 0.00 0.00 72.50 69.68 1bwy s THR 74 CO -0.13 0.36 2.15 0.00 -2.21 0.00 0.00 174.62 174.79 1bwy n ALA 75 N 3.86 4.19 0.04 11.08 0.00 -1.26 0.38 120.51 138.80 1bwy n ALA 75 Ca -0.22 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1bwy n ALA 75 Cb 0.52 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 2.07 -0.41 0.00 0.00 5.68 -1.26 -4.89 116.55 117.74 1bwy n ASP 76 Ca 0.15 0.16 0.11 0.00 -0.50 0.00 0.00 54.79 54.71 1bwy n ASP 76 Cb 0.53 0.56 0.57 0.00 -1.14 0.00 0.00 41.12 41.63 1bwy n ASP 76 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bwy n ASP 77 N -2.73 0.00 0.00 -1.12 8.00 -1.18 -4.60 116.55 114.92 1bwy n ASP 77 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1bwy n ASP 77 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1bwy n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bwy n ARG 78 N -1.30 0.00 -2.89 -1.24 1.74 0.16 -4.74 116.66 108.38 1bwy n ARG 78 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1bwy n ARG 78 Cb 0.19 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.59 1bwy n ARG 78 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bwy s LYS 79 N 0.00 4.43 -0.04 5.56 2.20 -1.26 -1.01 119.74 129.62 1bwy s LYS 79 Ca 0.00 1.10 -0.08 0.00 -0.36 0.00 0.00 55.97 56.63 1bwy s LYS 79 Cb 0.00 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1bwy s LYS 79 CO 0.00 -0.10 0.19 0.14 -0.36 0.00 0.00 175.35 175.22 1bwy s VAL 80 N 1.30 0.03 -0.37 4.02 -7.23 0.44 -4.89 120.40 113.70 1bwy s VAL 80 Ca 0.42 -0.26 -0.28 0.00 -1.81 0.00 0.00 61.98 60.05 1bwy s VAL 80 Cb -0.18 -0.36 0.02 0.00 0.56 0.00 0.00 36.38 36.42 1bwy s VAL 80 CO 0.19 -0.14 1.04 -0.75 -0.31 0.00 0.00 175.10 175.13 1bwy s LYS 81 N -0.49 3.92 -0.28 4.82 2.47 0.14 -0.60 119.74 129.72 1bwy s LYS 81 Ca -0.06 0.80 -0.14 0.00 -1.56 0.00 0.00 55.97 55.01 1bwy s LYS 81 Cb -0.04 -3.79 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 1bwy s LYS 81 CO 0.01 -1.02 0.34 0.45 0.16 0.00 0.00 175.35 175.29 1bwy s SER 82 N 1.90 6.20 -0.21 1.43 0.15 0.78 -0.76 113.70 123.20 1bwy s SER 82 Ca 0.44 0.18 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 1bwy s SER 82 Cb -0.11 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 1bwy s SER 82 CO 0.20 -0.18 0.25 -0.63 1.20 0.00 0.00 173.24 174.08 1bwy s ILE 83 N 2.01 5.31 -0.06 6.45 1.01 0.25 -0.54 121.20 135.63 1bwy s ILE 83 Ca 0.13 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.25 1bwy s ILE 83 Cb -0.16 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1bwy s ILE 83 CO 0.10 0.33 -0.23 -0.69 0.00 0.00 0.00 174.94 174.46 1bwy s VAL 84 N 0.96 1.88 0.21 2.92 1.01 -0.04 -0.22 120.40 127.13 1bwy s VAL 84 Ca 0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1bwy s VAL 84 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1bwy s VAL 84 CO 0.05 0.53 0.21 -0.89 0.00 0.00 0.00 175.10 174.99 1bwy s THR 85 N -0.07 0.00 -0.07 3.92 2.01 -0.48 -0.91 115.64 120.03 1bwy s THR 85 Ca -0.05 -1.87 0.05 0.00 0.31 0.00 0.00 61.69 60.13 1bwy s THR 85 Cb -0.13 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1bwy s THR 85 CO 0.04 0.00 -0.24 -1.48 -0.69 0.00 0.00 174.62 172.25 1bwy s LEU 86 N -3.14 2.14 0.30 4.42 0.05 -1.26 -0.30 118.68 120.89 1bwy s LEU 86 Ca 0.35 -0.50 0.18 0.00 0.05 0.00 0.00 54.13 54.22 1bwy s LEU 86 Cb 0.05 -1.41 0.12 0.00 -2.05 0.00 0.00 46.19 42.91 1bwy s LEU 86 CO 0.12 0.22 1.39 -2.24 -0.55 0.00 0.00 176.35 175.29 1bwy h ASP 87 N 6.27 0.00 0.00 1.48 3.04 -1.25 -3.48 116.42 122.48 1bwy h ASP 87 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1bwy h ASP 87 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1bwy h ASP 87 CO 0.48 0.30 0.00 0.61 -2.04 0.00 0.00 179.24 178.59 1bwy n GLY 88 N 1.20 1.40 0.04 7.15 0.00 -1.26 -4.87 105.19 108.84 1bwy n GLY 88 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.84 3.29 -0.02 0.00 -1.26 -5.04 105.19 101.32 1bwy n GLY 89 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1bwy n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwy s LYS 90 N -2.94 1.02 -0.15 1.61 1.02 -1.26 -4.92 119.74 114.13 1bwy s LYS 90 Ca -0.07 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 54.77 1bwy s LYS 90 Cb 0.09 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.79 1bwy s LYS 90 CO 0.74 -0.37 0.83 -1.17 -0.92 0.00 0.00 175.35 174.45 1bwy s LEU 91 N -2.86 4.20 -0.14 3.17 0.20 -0.02 -0.65 118.68 122.58 1bwy s LEU 91 Ca 0.07 1.20 -0.00 0.00 0.69 0.00 0.00 54.13 56.09 1bwy s LEU 91 Cb 0.03 -3.24 -0.01 0.00 -0.43 0.00 0.00 46.19 42.53 1bwy s LEU 91 CO -0.09 -0.37 -0.13 0.68 -0.29 0.00 0.00 176.35 176.16 1bwy s VAL 92 N 1.97 3.03 -0.48 1.68 -7.23 0.59 -0.56 120.40 119.40 1bwy s VAL 92 Ca 0.39 -0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1bwy s VAL 92 Cb -0.17 -2.28 0.13 0.00 0.56 0.00 0.00 36.38 34.62 1bwy s VAL 92 CO 0.14 0.52 0.26 -2.28 -0.31 0.00 0.00 175.10 173.43 1bwy s HIS 93 N 0.48 3.51 -0.76 2.82 2.46 0.55 -1.38 115.29 122.97 1bwy s HIS 93 Ca -0.09 -2.68 -0.21 0.00 0.47 0.00 0.00 55.06 52.55 1bwy s HIS 93 Cb -0.16 -3.13 0.09 0.00 -0.13 0.00 0.00 32.58 29.25 1bwy s HIS 93 CO 0.04 -0.90 1.02 0.08 -2.47 0.00 0.00 174.74 172.52 1bwy s VAL 94 N 0.56 4.48 -0.45 0.89 1.01 0.69 -0.91 120.40 126.67 1bwy s VAL 94 Ca 0.12 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1bwy s VAL 94 Cb -0.22 -4.72 0.04 0.00 0.00 0.00 0.00 36.38 31.48 1bwy s VAL 94 CO -0.04 -1.48 0.43 -1.58 0.00 0.00 0.00 175.10 172.43 1bwy s GLN 95 N 3.54 3.04 0.20 2.72 0.74 0.39 -0.58 119.66 129.71 1bwy s GLN 95 Ca 0.26 -1.00 0.11 0.00 0.05 0.00 0.00 55.36 54.78 1bwy s GLN 95 Cb -0.12 -4.04 -0.04 0.00 1.10 0.00 0.00 33.01 29.90 1bwy s GLN 95 CO 0.02 -0.94 -0.22 -1.59 -0.55 0.00 0.00 175.29 172.01 1bwy s LYS 96 N 1.99 1.48 0.19 1.67 -2.85 0.06 -0.29 119.74 121.99 1bwy s LYS 96 Ca 0.09 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 53.51 1bwy s LYS 96 Cb -0.20 -1.68 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 1bwy s LYS 96 CO 0.11 0.35 0.00 -2.67 0.10 0.00 0.00 175.35 173.23 1bwy n TRP 97 N 0.09 -1.29 0.00 1.78 2.14 -1.20 0.23 117.44 119.20 1bwy n TRP 97 Ca -0.11 0.23 0.00 0.00 2.07 0.00 0.00 57.50 59.69 1bwy n TRP 97 Cb 0.57 0.32 0.00 0.00 -0.81 0.00 0.00 31.31 31.39 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 -3.41 0.00 0.04 -0.67 6.94 -1.26 -4.83 115.26 112.07 1bwy n ASN 98 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.68 1bwy n ASN 98 Cb 0.00 0.16 0.49 0.00 -2.36 0.00 0.00 39.78 38.07 1bwy n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bwy n GLY 99 N -1.16 -1.43 3.84 4.83 0.00 -1.26 -4.90 105.19 105.11 1bwy n GLY 99 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1bwy n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bwy s GLN 100 N -3.06 0.72 0.11 1.61 0.00 -1.26 -5.18 119.66 112.59 1bwy s GLN 100 Ca 0.11 -0.44 -0.17 0.00 -0.00 0.00 0.00 55.36 54.85 1bwy s GLN 100 Cb 0.14 0.21 0.04 0.00 0.00 0.00 0.00 33.01 33.40 1bwy s GLN 100 CO 0.48 -0.33 0.42 -1.83 0.00 0.00 0.00 175.29 174.02 1bwy s GLU 101 N -2.29 1.06 -0.23 9.60 -1.05 -1.26 -3.20 118.70 121.32 1bwy s GLU 101 Ca 0.22 -0.62 -0.06 0.00 -0.15 0.00 0.00 54.97 54.36 1bwy s GLU 101 Cb 0.00 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1bwy s GLU 101 CO 0.00 -0.41 0.02 0.95 0.95 0.00 0.00 175.26 176.78 1bwy s THR 102 N -3.54 4.00 -0.61 1.83 -4.23 0.61 -4.39 115.64 109.30 1bwy s THR 102 Ca 0.01 -0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 60.05 1bwy s THR 102 Cb 0.01 -2.84 0.11 0.00 1.34 0.00 0.00 72.50 71.12 1bwy s THR 102 CO -0.10 0.38 0.71 -0.94 -0.54 0.00 0.00 174.62 174.13 1bwy s SER 103 N 1.41 6.23 0.04 3.99 1.04 0.70 -0.46 113.70 126.64 1bwy s SER 103 Ca 0.05 -1.55 -0.05 0.00 0.48 0.00 0.00 55.95 54.88 1bwy s SER 103 Cb -0.15 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 1bwy s SER 103 CO 0.01 -1.07 0.27 -0.76 0.98 0.00 0.00 173.24 172.68 1bwy s LEU 104 N 2.49 4.35 0.06 2.42 1.02 -0.09 -0.74 118.68 128.20 1bwy s LEU 104 Ca 0.12 0.51 0.07 0.00 0.02 0.00 0.00 54.13 54.85 1bwy s LEU 104 Cb -0.23 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.12 1bwy s LEU 104 CO 0.05 0.20 -0.19 0.68 0.02 0.00 0.00 176.35 177.11 1bwy s VAL 105 N -1.40 1.56 -0.00 -1.59 -7.23 0.06 -0.33 120.40 111.48 1bwy s VAL 105 Ca 0.31 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1bwy s VAL 105 Cb -0.13 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 1bwy s VAL 105 CO 0.20 0.08 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.89 1bwy s ARG 106 N -1.39 0.41 -0.05 4.82 0.52 0.28 -2.18 118.95 121.36 1bwy s ARG 106 Ca 0.06 -0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 1bwy s ARG 106 Cb -0.09 -0.38 0.09 0.00 0.52 0.00 0.00 34.95 35.10 1bwy s ARG 106 CO 0.02 0.10 0.80 -2.00 0.02 0.00 0.00 175.30 174.25 1bwy s GLU 107 N -0.23 0.91 -0.23 3.54 2.56 -0.13 -0.84 118.70 124.26 1bwy s GLU 107 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.97 54.96 1bwy s GLU 107 Cb -0.03 0.42 -0.00 0.00 2.00 0.00 0.00 34.13 36.53 1bwy s GLU 107 CO -0.00 -0.32 -0.03 1.41 -0.56 0.00 0.00 175.26 175.76 1bwy s MET 108 N -1.87 3.28 0.22 4.30 -2.45 -1.26 0.37 119.30 121.89 1bwy s MET 108 Ca -0.04 -0.69 0.01 0.00 -1.25 0.00 0.00 55.69 53.72 1bwy s MET 108 Cb -0.00 -3.06 -0.00 0.00 1.25 0.00 0.00 34.83 33.01 1bwy s MET 108 CO 0.01 -0.25 0.03 1.33 1.05 0.00 0.00 175.02 177.18 1bwy n VAL 109 N 4.79 0.00 0.00 10.11 0.24 -1.20 -4.81 118.33 127.47 1bwy n VAL 109 Ca -0.17 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1bwy n VAL 109 Cb 0.50 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.43 0.00 -1.28 -1.34 2.03 -1.26 -2.01 116.55 111.26 1bwy n ASP 110 Ca -0.07 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.24 1bwy n ASP 110 Cb 0.29 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.80 3.03 0.27 0.00 -1.26 -5.11 105.19 102.92 1bwy n GLY 111 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.26 -0.91 1.61 1.02 -0.85 -4.64 119.74 116.22 1bwy s LYS 112 Ca 0.20 -0.09 -0.24 0.00 0.02 0.00 0.00 55.97 55.86 1bwy s LYS 112 Cb 0.23 0.11 0.05 0.00 -0.52 0.00 0.00 37.83 37.70 1bwy s LYS 112 CO -0.10 -0.05 1.36 -1.17 -0.92 0.00 0.00 175.35 174.47 1bwy s LEU 113 N -0.53 3.51 0.09 3.17 1.98 0.59 -3.22 118.68 124.27 1bwy s LEU 113 Ca -0.06 -1.14 -0.31 0.00 -2.89 0.00 0.00 54.13 49.72 1bwy s LEU 113 Cb -0.04 -2.55 -0.07 0.00 0.66 0.00 0.00 46.19 44.19 1bwy s LEU 113 CO 0.00 -1.59 1.35 -0.63 -1.89 0.00 0.00 176.35 173.60 1bwy s ILE 114 N 5.06 3.50 0.02 6.68 1.01 0.16 -0.86 121.20 136.76 1bwy s ILE 114 Ca 0.41 1.06 0.02 0.00 0.00 0.00 0.00 60.65 62.14 1bwy s ILE 114 Cb -0.03 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1bwy s ILE 114 CO -0.01 0.08 -0.06 -0.22 0.00 0.00 0.00 174.94 174.72 1bwy s LEU 115 N 1.21 2.12 -0.05 2.97 2.96 -1.04 -0.96 118.68 125.88 1bwy s LEU 115 Ca 0.63 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1bwy s LEU 115 Cb -0.35 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.15 1bwy s LEU 115 CO 0.30 -0.06 0.17 -0.89 -1.32 0.00 0.00 176.35 174.55 1bwy s THR 116 N -0.66 0.02 -0.18 3.68 2.01 -0.93 -3.33 115.64 116.26 1bwy s THR 116 Ca -0.03 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1bwy s THR 116 Cb -0.05 -0.31 0.05 0.00 0.01 0.00 0.00 72.50 72.20 1bwy s THR 116 CO 0.00 -0.10 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.31 1bwy s LEU 117 N -0.31 1.63 -0.12 4.42 2.34 -0.21 -0.76 118.68 125.67 1bwy s LEU 117 Ca -0.04 -0.74 0.02 0.00 0.06 0.00 0.00 54.13 53.43 1bwy s LEU 117 Cb -0.03 -0.87 -0.00 0.00 -0.56 0.00 0.00 46.19 44.73 1bwy s LEU 117 CO 0.01 -0.22 -0.20 0.42 -1.06 0.00 0.00 176.35 175.30 1bwy s THR 118 N 1.66 2.41 0.35 5.48 -4.23 0.08 -0.70 115.64 120.70 1bwy s THR 118 Ca -0.00 -0.89 0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1bwy s THR 118 Cb -0.16 -1.97 -0.07 0.00 1.34 0.00 0.00 72.50 71.64 1bwy s THR 118 CO -0.07 0.54 0.04 -2.28 -0.54 0.00 0.00 174.62 172.31 1bwy s HIS 119 N 0.44 2.17 -0.40 3.99 5.04 0.32 -0.22 115.29 126.64 1bwy s HIS 119 Ca -0.14 -0.85 -0.43 0.00 -1.54 0.00 0.00 55.06 52.10 1bwy s HIS 119 Cb -0.17 -1.46 -0.18 0.00 0.04 0.00 0.00 32.58 30.82 1bwy s HIS 119 CO 0.06 0.17 1.75 0.41 -2.34 0.00 0.00 174.74 174.79 1bwy n GLY 120 N -0.79 0.47 5.00 1.59 0.00 -1.26 -2.98 105.19 107.22 1bwy n GLY 120 Ca -0.03 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1bwy n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwy n THR 121 N 4.67 0.00 -2.44 2.61 5.66 -1.26 -4.89 114.28 118.63 1bwy n THR 121 Ca 0.32 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.89 1bwy n THR 121 Cb 0.04 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1bwy n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bwy s ALA 122 N 0.00 3.21 -0.19 1.79 0.00 -1.16 -5.00 121.76 120.41 1bwy s ALA 122 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 1bwy s ALA 122 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1bwy s ALA 122 CO 0.00 -2.09 -0.01 0.08 0.00 0.00 0.00 175.76 173.74 1bwy s VAL 123 N 4.76 3.92 0.18 0.00 1.01 -1.26 -0.52 120.40 128.50 1bwy s VAL 123 Ca 0.56 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 1bwy s VAL 123 Cb -0.13 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1bwy s VAL 123 CO 0.28 0.44 0.23 0.00 0.00 0.00 0.00 175.10 176.05 1bwy s THR 125 N -4.04 0.43 0.04 0.00 -4.23 -0.50 -1.05 115.64 106.28 1bwy s THR 125 Ca 0.25 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1bwy s THR 125 Cb 0.04 -0.43 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1bwy s THR 125 CO 0.05 -0.12 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.83 1bwy s ARG 126 N -0.75 0.45 -0.01 3.99 0.52 -1.21 -1.05 118.95 120.89 1bwy s ARG 126 Ca -0.04 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 1bwy s ARG 126 Cb -0.05 -0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 1bwy s ARG 126 CO 0.00 -0.01 -0.09 -0.08 0.02 0.00 0.00 175.30 175.14 1bwy s THR 127 N -1.68 0.69 0.22 0.02 -1.32 0.67 -2.51 115.64 111.73 1bwy s THR 127 Ca -0.11 -0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.10 1bwy s THR 127 Cb -0.08 -0.58 -0.04 0.00 -1.51 0.00 0.00 72.50 70.28 1bwy s THR 127 CO -0.01 0.20 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.18 1bwy s TYR 128 N -0.17 2.55 -0.04 9.09 1.51 -0.04 -1.17 117.35 129.08 1bwy s TYR 128 Ca 0.03 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1bwy s TYR 128 Cb -0.04 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1bwy s TYR 128 CO -0.00 0.57 -0.00 -2.00 -1.11 0.00 0.00 175.55 173.00 1bwy s GLU 129 N -3.11 0.40 -0.03 -0.62 2.12 0.31 -0.30 118.70 117.47 1bwy s GLU 129 Ca 0.27 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.38 1bwy s GLU 129 Cb -0.08 -0.61 -0.07 0.00 0.26 0.00 0.00 34.13 33.63 1bwy s GLU 129 CO 0.16 -0.17 1.79 0.21 -0.54 0.00 0.00 175.26 176.71 1bwy s LYS 130 N 1.25 4.12 -0.15 4.30 2.47 -1.26 -1.44 119.74 129.03 1bwy s LYS 130 Ca -0.07 2.33 -0.25 0.00 -1.56 0.00 0.00 55.97 56.42 1bwy s LYS 130 Cb -0.13 -4.07 -0.22 0.00 -1.46 0.00 0.00 37.83 31.95 1bwy s LYS 130 CO -0.02 -0.94 0.59 1.96 0.16 0.00 0.00 175.35 177.10 1bwy h GLN 131 N 10.14 0.00 0.00 4.03 1.08 -0.96 -3.48 115.11 125.93 1bwy h GLN 131 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1bwy h GLN 131 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1bwy h GLN 131 CO 0.95 0.91 0.00 0.00 -0.95 0.00 0.00 178.83 179.74