#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwm n PHE 1 N 0.00 1.31 -2.78 -1.40 7.35 -1.26 -5.02 117.46 115.66 2hwm n PHE 1 Ca 0.00 -1.82 -0.42 0.00 -0.76 0.00 0.00 57.45 54.45 2hwm n PHE 1 Cb 0.00 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 39.55 2hwm n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2hwm s ASN 2 N -3.40 7.07 0.07 -2.13 0.01 -1.26 -5.03 114.94 110.27 2hwm s ASN 2 Ca 0.35 1.32 0.04 0.00 -0.71 0.00 0.00 52.86 53.86 2hwm s ASN 2 Cb 0.36 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 2hwm s ASN 2 CO -0.04 -0.48 0.03 -0.76 -1.51 0.00 0.00 177.10 174.33 2hwm s LEU 3 N 2.39 3.59 0.57 0.60 1.43 -1.26 -0.81 118.68 125.18 2hwm s LEU 3 Ca 0.42 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 2hwm s LEU 3 Cb -0.17 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 2hwm s LEU 3 CO 0.12 0.19 1.03 -2.16 0.23 0.00 0.00 176.35 175.76 2hwm s PRO 4 N -2.20 3.57 0.33 1.29 0.04 -1.26 -4.59 135.00 132.17 2hwm s PRO 4 Ca 0.26 1.05 0.17 0.00 0.04 0.00 0.00 61.00 62.52 2hwm s PRO 4 Cb -0.12 -2.07 0.32 0.00 0.04 0.00 0.00 34.50 32.66 2hwm s PRO 4 CO 0.18 -0.60 1.56 -1.00 0.04 0.00 0.00 177.00 177.19 2hwm h PRO 5 N 0.48 0.00 -7.02 0.56 0.13 -1.99 -3.47 132.00 120.69 2hwm h PRO 5 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.26 2hwm h PRO 5 Cb 1.20 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.55 2hwm h PRO 5 CO 0.59 0.41 -0.12 0.41 -0.23 0.00 0.00 178.00 179.07 2hwm n GLY 6 N 0.89 -2.89 1.35 1.56 0.00 -1.26 -5.06 105.19 99.77 2hwm n GLY 6 Ca 0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 2hwm n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hwm n ASN 7 N -5.26 1.10 -0.58 1.61 0.23 -1.26 -5.08 115.26 106.03 2hwm n ASN 7 Ca 0.07 -1.87 0.07 0.00 -0.53 0.00 0.00 54.58 52.32 2hwm n ASN 7 Cb 0.57 0.41 0.20 0.00 -2.08 0.00 0.00 39.78 38.88 2hwm n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2hwm n TYR 8 N -0.37 0.52 -0.22 -2.53 4.01 -1.26 -4.76 117.16 112.55 2hwm n TYR 8 Ca -0.03 -1.06 0.03 0.00 -0.16 0.00 0.00 57.90 56.69 2hwm n TYR 8 Cb 0.25 -0.27 0.29 0.00 -0.31 0.00 0.00 39.34 39.29 2hwm n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hwm h LYS 9 N 0.94 0.89 -4.89 -0.72 1.79 -1.98 -3.45 116.57 109.15 2hwm h LYS 9 Ca 0.03 -0.05 -0.34 0.00 -2.18 0.00 0.00 60.65 58.10 2hwm h LYS 9 Cb 1.27 -0.20 -0.14 0.00 -1.58 0.00 0.00 32.23 31.57 2hwm h LYS 9 CO 0.14 0.59 -0.62 -1.59 -1.08 0.00 0.00 179.45 176.89 2hwm s LYS 10 N -5.79 1.38 0.76 3.15 -2.85 -1.26 -5.14 119.74 109.98 2hwm s LYS 10 Ca -0.11 -1.74 -0.12 0.00 -1.00 0.00 0.00 55.97 53.01 2hwm s LYS 10 Cb 0.19 -0.27 0.05 0.00 -2.06 0.00 0.00 37.83 35.73 2hwm s LYS 10 CO 0.78 -0.27 1.11 -1.25 0.10 0.00 0.00 175.35 175.82 2hwm s PRO 11 N -4.02 2.26 0.19 1.78 0.04 -1.26 -4.73 135.00 129.26 2hwm s PRO 11 Ca 0.36 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 2hwm s PRO 11 Cb 0.08 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2hwm s PRO 11 CO 0.13 -1.66 0.19 0.14 0.04 0.00 0.00 177.00 175.84 2hwm s VAL 12 N -2.68 0.03 -0.10 -0.36 -7.23 0.17 -3.34 120.40 106.89 2hwm s VAL 12 Ca 0.64 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2hwm s VAL 12 Cb -0.19 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2hwm s VAL 12 CO 0.52 -0.13 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.41 2hwm s LEU 13 N -3.09 3.52 -0.49 1.32 1.43 0.22 -0.73 118.68 120.86 2hwm s LEU 13 Ca 0.30 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 2hwm s LEU 13 Cb 0.05 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.58 2hwm s LEU 13 CO 0.08 0.34 0.40 -0.76 0.23 0.00 0.00 176.35 176.64 2hwm s LEU 14 N -0.67 5.83 -0.19 1.79 1.43 -1.26 -0.65 118.68 124.96 2hwm s LEU 14 Ca 0.11 -1.77 -0.24 0.00 -1.03 0.00 0.00 54.13 51.20 2hwm s LEU 14 Cb -0.12 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2hwm s LEU 14 CO 0.02 -0.74 0.76 -0.47 0.23 0.00 0.00 176.35 176.15 2hwm s TYR 15 N 1.49 3.39 -0.23 0.29 5.04 -0.54 -1.44 117.35 125.34 2hwm s TYR 15 Ca 0.04 1.12 -0.17 0.00 -2.44 0.00 0.00 57.07 55.62 2hwm s TYR 15 Cb -0.27 -2.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.06 2hwm s TYR 15 CO 0.02 -0.24 0.47 0.00 -1.34 0.00 0.00 175.55 174.46 2hwm h SER 17 N 7.75 0.00 0.55 0.00 0.87 -1.64 0.03 113.55 121.11 2hwm h SER 17 Ca -0.32 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2hwm h SER 17 Cb 1.15 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2hwm h SER 17 CO 0.71 0.01 -0.26 -1.13 -0.53 0.00 0.00 176.83 175.63 2hwm h ASN 18 N 0.00 -0.62 0.00 6.23 -1.24 -1.80 -3.36 115.58 114.79 2hwm h ASN 18 Ca -0.00 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.96 2hwm h ASN 18 Cb 0.07 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2hwm h ASN 18 CO 0.00 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.45 2hwm n GLY 19 N -0.80 -0.09 2.04 1.57 0.00 -1.24 -4.79 105.19 101.89 2hwm n GLY 19 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2hwm n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hwm n GLY 20 N -0.14 0.46 3.90 -0.02 0.00 -0.01 -5.03 105.19 104.35 2hwm n GLY 20 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2hwm n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hwm s HIS 21 N -2.06 3.47 -0.10 1.61 3.76 -1.22 -4.71 115.29 116.04 2hwm s HIS 21 Ca 0.00 0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 55.53 2hwm s HIS 21 Cb 0.00 -2.17 -0.05 0.00 1.11 0.00 0.00 32.58 31.48 2hwm s HIS 21 CO 0.00 0.16 0.23 -0.06 -0.85 0.00 0.00 174.74 174.23 2hwm s PHE 22 N -2.06 3.60 0.22 1.40 0.08 0.73 -0.38 117.98 121.56 2hwm s PHE 22 Ca 0.45 0.64 -0.30 0.00 0.12 0.00 0.00 56.93 57.84 2hwm s PHE 22 Cb -0.11 -2.11 -0.10 0.00 -0.57 0.00 0.00 43.02 40.14 2hwm s PHE 22 CO 0.28 0.60 1.46 -1.17 -0.10 0.00 0.00 175.22 176.30 2hwm s LEU 23 N -0.71 4.38 -0.03 -0.37 2.96 -0.52 -1.69 118.68 122.70 2hwm s LEU 23 Ca 0.17 2.62 0.03 0.00 -0.22 0.00 0.00 54.13 56.73 2hwm s LEU 23 Cb -0.13 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 2hwm s LEU 23 CO 0.06 -0.72 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.65 2hwm s ARG 24 N 0.09 1.19 -0.30 1.98 3.52 0.48 -4.46 118.95 121.44 2hwm s ARG 24 Ca 0.62 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 2hwm s ARG 24 Cb -0.42 -1.09 0.07 0.00 -1.56 0.00 0.00 34.95 31.96 2hwm s ARG 24 CO 0.39 0.19 -0.04 0.42 -0.81 0.00 0.00 175.30 175.46 2hwm s ILE 25 N 0.02 2.31 0.65 4.11 1.01 -0.94 -1.74 121.20 126.62 2hwm s ILE 25 Ca -0.01 -1.87 -0.13 0.00 0.00 0.00 0.00 60.65 58.64 2hwm s ILE 25 Cb -0.08 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2hwm s ILE 25 CO 0.01 -0.25 1.06 -0.76 0.00 0.00 0.00 174.94 175.00 2hwm s LEU 26 N 1.05 3.30 0.37 2.97 1.43 -0.05 -4.83 118.68 122.93 2hwm s LEU 26 Ca -0.01 1.75 0.14 0.00 -1.03 0.00 0.00 54.13 54.97 2hwm s LEU 26 Cb -0.20 -4.52 0.97 0.00 0.03 0.00 0.00 46.19 42.48 2hwm s LEU 26 CO -0.06 -1.38 1.81 -0.65 0.23 0.00 0.00 176.35 176.30 2hwm h PRO 27 N -0.18 0.51 0.00 1.29 0.11 -1.98 0.13 132.00 131.87 2hwm h PRO 27 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hwm h PRO 27 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2hwm h PRO 27 CO 0.56 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 2hwm n ASP 28 N -4.62 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.52 2hwm n ASP 28 Ca 0.22 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2hwm n ASP 28 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 2hwm n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hwm n GLY 29 N 0.63 0.85 3.77 6.12 0.00 0.03 -4.96 105.19 111.62 2hwm n GLY 29 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2hwm n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwm s THR 30 N -2.50 3.11 -0.08 2.61 2.01 -1.25 -1.07 115.64 118.47 2hwm s THR 30 Ca 0.00 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.06 2hwm s THR 30 Cb 0.00 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 2hwm s THR 30 CO 0.00 0.16 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.17 2hwm s VAL 31 N -1.30 1.97 0.00 3.82 1.01 -1.26 -0.87 120.40 123.77 2hwm s VAL 31 Ca 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2hwm s VAL 31 Cb -0.33 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2hwm s VAL 31 CO 0.43 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.17 2hwm n ASP 32 N 3.27 0.00 -4.17 3.32 5.75 -0.71 -4.54 116.55 119.46 2hwm n ASP 32 Ca -0.18 -0.18 -0.17 0.00 -0.01 0.00 0.00 54.79 54.25 2hwm n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2hwm n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hwm s GLY 33 N -0.18 0.86 0.01 6.12 0.00 0.24 -0.39 107.32 113.97 2hwm s GLY 33 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 2hwm s GLY 33 CO 0.00 -1.12 0.06 -1.08 0.00 0.00 0.00 173.10 170.96 2hwm s THR 34 N -1.73 0.08 -1.76 0.90 -1.32 -0.68 -4.80 115.64 106.33 2hwm s THR 34 Ca 0.01 -0.69 0.26 0.00 -1.21 0.00 0.00 61.69 60.06 2hwm s THR 34 Cb -0.07 -0.32 0.25 0.00 -1.51 0.00 0.00 72.50 70.84 2hwm s THR 34 CO 0.02 -0.38 1.53 0.54 -2.21 0.00 0.00 174.62 174.12 2hwm n ARG 35 N 1.71 0.85 -2.37 7.08 1.74 -1.26 -0.19 116.66 124.21 2hwm n ARG 35 Ca -0.22 -0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 55.95 2hwm n ARG 35 Cb 0.56 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2hwm n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hwm s ASP 36 N -2.51 5.87 0.43 0.55 2.15 -1.26 -4.85 116.67 117.05 2hwm s ASP 36 Ca 0.24 -0.30 0.29 0.00 0.43 0.00 0.00 52.55 53.21 2hwm s ASP 36 Cb 0.19 -2.55 1.55 0.00 -0.30 0.00 0.00 42.92 41.81 2hwm s ASP 36 CO 0.53 -2.02 1.90 -0.09 -0.17 0.00 0.00 175.17 175.32 2hwm h ARG 37 N 11.58 0.00 -0.00 4.34 1.12 -2.00 -1.11 114.38 128.30 2hwm h ARG 37 Ca -0.22 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2hwm h ARG 37 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 2hwm h ARG 37 CO 1.27 0.00 -0.31 -1.13 -3.11 0.00 0.00 179.97 176.69 2hwm n SER 38 N -2.55 0.62 -4.72 -3.80 3.41 -1.26 -4.92 113.62 100.40 2hwm n SER 38 Ca -0.01 -0.45 -0.43 0.00 -0.26 0.00 0.00 58.87 57.72 2hwm n SER 38 Cb 0.08 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2hwm n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hwm n ASP 39 N -1.13 3.45 -0.09 4.04 -0.08 -0.42 -4.87 116.55 117.44 2hwm n ASP 39 Ca 0.09 1.15 0.15 0.00 -1.51 0.00 0.00 54.79 54.68 2hwm n ASP 39 Cb 0.33 -1.54 0.72 0.00 2.34 0.00 0.00 41.12 42.97 2hwm n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hwm n GLN 40 N 1.90 0.80 -0.32 -0.67 1.13 -1.26 -3.63 117.38 115.33 2hwm n GLN 40 Ca 0.09 -0.19 0.08 0.00 -1.94 0.00 0.00 57.00 55.03 2hwm n GLN 40 Cb 0.35 -1.50 0.23 0.00 0.11 0.00 0.00 30.24 29.44 2hwm n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hwm n HIS 41 N -0.93 0.79 0.80 1.08 8.25 -1.26 -4.30 115.22 119.65 2hwm n HIS 41 Ca 0.17 -0.58 0.09 0.00 -0.26 0.00 0.00 57.72 57.14 2hwm n HIS 41 Cb 0.23 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.25 2hwm n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2hwm n ILE 42 N 0.64 0.00 -2.64 1.59 -5.35 -1.24 -2.21 119.36 110.15 2hwm n ILE 42 Ca 0.18 -0.35 -0.43 0.00 -0.27 0.00 0.00 62.75 61.87 2hwm n ILE 42 Cb 0.61 1.25 -0.02 0.00 -1.74 0.00 0.00 39.64 39.74 2hwm n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hwm s GLN 43 N -1.96 4.20 0.08 6.28 1.11 -1.26 -4.46 119.66 123.65 2hwm s GLN 43 Ca 0.16 1.29 0.08 0.00 0.01 0.00 0.00 55.36 56.91 2hwm s GLN 43 Cb 0.15 -3.68 -0.03 0.00 -1.01 0.00 0.00 33.01 28.44 2hwm s GLN 43 CO 0.40 -0.72 -0.22 -0.51 0.01 0.00 0.00 175.29 174.25 2hwm s LEU 44 N 3.37 2.24 -0.19 2.90 1.43 0.09 -1.94 118.68 126.58 2hwm s LEU 44 Ca 0.45 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2hwm s LEU 44 Cb -0.15 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.06 2hwm s LEU 44 CO 0.09 0.14 -0.14 -1.58 0.23 0.00 0.00 176.35 175.10 2hwm s GLN 45 N -1.58 3.16 0.10 1.70 2.00 0.14 0.45 119.66 125.63 2hwm s GLN 45 Ca 0.09 -0.74 -0.02 0.00 -2.00 0.00 0.00 55.36 52.68 2hwm s GLN 45 Cb -0.10 -2.73 -0.05 0.00 0.80 0.00 0.00 33.01 30.93 2hwm s GLN 45 CO 0.03 -0.17 0.29 -0.51 -0.50 0.00 0.00 175.29 174.43 2hwm s LEU 46 N 1.29 4.31 -0.00 3.68 1.02 -1.26 -0.99 118.68 126.73 2hwm s LEU 46 Ca 0.04 0.42 -0.01 0.00 0.02 0.00 0.00 54.13 54.60 2hwm s LEU 46 Cb -0.14 -3.13 -0.00 0.00 0.02 0.00 0.00 46.19 42.94 2hwm s LEU 46 CO -0.08 0.11 0.01 -0.94 0.02 0.00 0.00 176.35 175.48 2hwm s SER 47 N -2.48 0.04 -0.21 2.29 1.04 -0.85 -4.77 113.70 108.76 2hwm s SER 47 Ca 0.38 -0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 2hwm s SER 47 Cb -0.13 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 2hwm s SER 47 CO 0.26 -0.08 0.64 0.00 0.98 0.00 0.00 173.24 175.04 2hwm s ALA 48 N -0.34 3.56 -0.11 5.32 0.00 -1.26 -1.43 121.76 127.50 2hwm s ALA 48 Ca -0.04 -0.30 0.20 0.00 0.00 0.00 0.00 51.96 51.83 2hwm s ALA 48 Cb -0.02 -2.99 -0.25 0.00 0.00 0.00 0.00 23.12 19.85 2hwm s ALA 48 CO -0.00 -0.61 0.48 0.39 0.00 0.00 0.00 175.76 176.01 2hwm n GLU 49 N 5.20 0.66 -3.42 0.00 -0.58 -0.21 -4.98 120.64 117.30 2hwm n GLU 49 Ca -0.01 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.56 2hwm n GLU 49 Cb 0.49 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 2hwm n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2hwm s SER 50 N -5.06 -0.57 0.07 1.62 0.01 -1.22 -5.02 113.70 103.55 2hwm s SER 50 Ca -0.07 0.01 -0.33 0.00 1.31 0.00 0.00 55.95 56.87 2hwm s SER 50 Cb 0.11 0.59 -0.12 0.00 0.21 0.00 0.00 66.02 66.81 2hwm s SER 50 CO 0.86 -0.95 1.75 0.52 0.41 0.00 0.00 173.24 175.83 2hwm n VAL 51 N -0.36 0.29 -0.97 3.43 0.31 -1.26 -0.72 118.33 119.06 2hwm n VAL 51 Ca -0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2hwm n VAL 51 Cb 0.65 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2hwm n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hwm n GLY 52 N 3.97 0.79 3.28 2.92 0.00 -1.26 -5.01 105.19 109.88 2hwm n GLY 52 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2hwm n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hwm s GLU 53 N -0.11 3.05 0.16 1.61 2.02 0.10 -1.30 118.70 124.23 2hwm s GLU 53 Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.20 2hwm s GLU 53 Cb 0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 2hwm s GLU 53 CO 0.00 0.24 -0.04 0.14 0.02 0.00 0.00 175.26 175.61 2hwm s VAL 54 N 0.23 0.88 0.08 2.63 -7.23 0.19 -1.05 120.40 116.13 2hwm s VAL 54 Ca -0.13 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2hwm s VAL 54 Cb -0.17 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2hwm s VAL 54 CO 0.07 -0.61 0.02 -0.31 -0.31 0.00 0.00 175.10 173.96 2hwm s TYR 55 N -3.52 3.05 -0.24 2.82 2.02 -0.51 -1.43 117.35 119.54 2hwm s TYR 55 Ca 0.20 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 2hwm s TYR 55 Cb 0.05 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 2hwm s TYR 55 CO 0.02 0.49 -0.08 0.42 -1.57 0.00 0.00 175.55 174.83 2hwm s ILE 56 N -1.31 1.83 -0.02 2.71 1.01 -1.26 -2.01 121.20 122.14 2hwm s ILE 56 Ca 0.26 -1.39 0.07 0.00 0.00 0.00 0.00 60.65 59.59 2hwm s ILE 56 Cb -0.12 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2hwm s ILE 56 CO 0.19 -0.04 -0.22 -0.75 0.00 0.00 0.00 174.94 174.11 2hwm s LYS 57 N 1.26 2.21 -0.05 2.79 2.20 -0.16 -0.62 119.74 127.37 2hwm s LYS 57 Ca -0.07 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.37 2hwm s LYS 57 Cb -0.19 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2hwm s LYS 57 CO -0.06 0.58 1.37 0.45 -0.36 0.00 0.00 175.35 177.33 2hwm s SER 58 N -0.72 6.88 0.26 1.43 0.15 0.33 0.27 113.70 122.30 2hwm s SER 58 Ca 0.11 1.99 0.12 0.00 0.70 0.00 0.00 55.95 58.87 2hwm s SER 58 Cb -0.10 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 61.93 2hwm s SER 58 CO -0.00 -0.73 1.55 0.71 1.20 0.00 0.00 173.24 175.97 2hwm h THR 59 N 5.14 1.32 -0.04 6.45 1.35 -1.73 -0.22 112.91 125.17 2hwm h THR 59 Ca -0.35 -2.29 -0.20 0.00 -0.55 0.00 0.00 66.41 63.02 2hwm h THR 59 Cb 1.16 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.86 2hwm h THR 59 CO 0.92 0.62 -0.83 -0.08 -0.25 0.00 0.00 175.52 175.90 2hwm h GLU 60 N 0.00 0.41 0.00 4.72 4.57 -1.80 -3.38 114.58 119.09 2hwm h GLU 60 Ca -0.01 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2hwm h GLU 60 Cb 1.23 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2hwm h GLU 60 CO 0.08 1.04 -0.53 0.25 -1.18 0.00 0.00 179.01 178.67 2hwm n THR 61 N -3.79 0.00 -0.64 0.32 -2.24 -1.23 -5.01 114.28 101.69 2hwm n THR 61 Ca -0.05 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2hwm n THR 61 Cb 0.77 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2hwm n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hwm n GLY 62 N 1.59 1.28 3.78 3.38 0.00 -0.10 -5.03 105.19 110.10 2hwm n GLY 62 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2hwm n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwm s GLN 63 N -0.17 3.59 -0.13 1.61 -0.21 -1.26 -4.70 119.66 118.40 2hwm s GLN 63 Ca 0.00 1.52 -0.06 0.00 0.02 0.00 0.00 55.36 56.84 2hwm s GLN 63 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 2hwm s GLN 63 CO 0.00 -0.63 0.09 0.71 -2.12 0.00 0.00 175.29 173.34 2hwm s TYR 64 N -1.83 3.41 0.30 0.91 1.51 0.15 -0.51 117.35 121.29 2hwm s TYR 64 Ca 0.69 0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 56.80 2hwm s TYR 64 Cb -0.21 -1.96 -0.10 0.00 -0.11 0.00 0.00 41.96 39.58 2hwm s TYR 64 CO 0.25 0.51 1.33 -1.17 -1.11 0.00 0.00 175.55 175.35 2hwm s LEU 65 N -0.56 4.42 0.02 -1.29 2.96 0.21 -0.22 118.68 124.22 2hwm s LEU 65 Ca 0.11 2.65 -0.13 0.00 -0.22 0.00 0.00 54.13 56.55 2hwm s LEU 65 Cb -0.12 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2hwm s LEU 65 CO 0.02 -0.56 0.27 0.00 -1.32 0.00 0.00 176.35 174.77 2hwm s ALA 66 N -0.83 -0.63 -0.17 5.97 0.00 -0.19 -4.40 121.76 121.52 2hwm s ALA 66 Ca 0.51 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2hwm s ALA 66 Cb -0.40 0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2hwm s ALA 66 CO 0.50 -0.33 -0.19 1.41 0.00 0.00 0.00 175.76 177.15 2hwm s MET 67 N -2.01 3.07 0.99 0.00 1.75 -0.63 -0.37 119.30 122.11 2hwm s MET 67 Ca -0.09 -0.81 -0.16 0.00 -1.25 0.00 0.00 55.69 53.38 2hwm s MET 67 Cb -0.03 -2.57 0.21 0.00 2.84 0.00 0.00 34.83 35.28 2hwm s MET 67 CO -0.00 -0.11 1.30 0.16 -0.65 0.00 0.00 175.02 175.72 2hwm s ASP 68 N 1.08 2.84 0.64 1.11 1.47 0.41 -4.77 116.67 119.45 2hwm s ASP 68 Ca -0.00 0.31 0.38 0.00 1.18 0.00 0.00 52.55 54.41 2hwm s ASP 68 Cb -0.14 -0.37 2.14 0.00 -0.34 0.00 0.00 42.92 44.21 2hwm s ASP 68 CO -0.07 -2.91 2.29 0.00 0.68 0.00 0.00 175.17 175.16 2hwm h THR 69 N -1.76 0.20 -0.54 2.11 1.03 -2.00 0.03 112.91 111.98 2hwm h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2hwm h THR 69 Cb 1.24 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 2hwm h THR 69 CO 0.37 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.35 2hwm n ASP 70 N -3.36 4.26 0.00 0.00 8.00 -1.26 -4.95 116.55 119.24 2hwm n ASP 70 Ca -0.03 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.04 2hwm n ASP 70 Cb 0.12 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2hwm n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hwm n GLY 71 N 0.78 0.61 3.79 0.44 0.00 -0.00 -4.62 105.19 106.19 2hwm n GLY 71 Ca 0.22 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2hwm n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwm s LEU 72 N 0.00 4.36 0.30 0.99 1.43 -1.26 -0.48 118.68 124.02 2hwm s LEU 72 Ca 0.00 0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 53.55 2hwm s LEU 72 Cb 0.00 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 2hwm s LEU 72 CO 0.00 0.21 0.96 -0.76 0.23 0.00 0.00 176.35 177.00 2hwm s LEU 73 N -0.30 4.44 0.17 1.79 1.43 -1.26 -0.44 118.68 124.50 2hwm s LEU 73 Ca 0.20 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 2hwm s LEU 73 Cb -0.15 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.21 2hwm s LEU 73 CO 0.08 -0.04 0.35 -0.72 0.23 0.00 0.00 176.35 176.26 2hwm s TYR 74 N -1.44 0.20 -0.22 0.29 1.13 0.50 -4.48 117.35 113.32 2hwm s TYR 74 Ca 0.47 -0.56 -0.15 0.00 -1.41 0.00 0.00 57.07 55.43 2hwm s TYR 74 Cb -0.22 0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2hwm s TYR 74 CO 0.28 -0.76 0.37 0.20 -2.51 0.00 0.00 175.55 173.12 2hwm s GLY 75 N -2.92 2.03 -0.11 5.49 0.00 -0.23 -1.02 107.32 110.56 2hwm s GLY 75 Ca 0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 2hwm s GLY 75 CO -0.02 0.80 0.06 -0.45 0.00 0.00 0.00 173.10 173.49 2hwm s SER 76 N 1.17 5.68 0.36 1.64 0.15 0.70 -4.74 113.70 118.64 2hwm s SER 76 Ca 0.17 0.25 0.18 0.00 0.70 0.00 0.00 55.95 57.25 2hwm s SER 76 Cb -0.15 -1.73 0.60 0.00 -1.71 0.00 0.00 66.02 63.03 2hwm s SER 76 CO 0.08 0.37 1.70 1.56 1.20 0.00 0.00 173.24 178.15 2hwm h GLN 77 N 5.24 0.00 -5.57 5.44 1.08 -1.91 0.45 115.11 119.84 2hwm h GLN 77 Ca -0.51 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.24 2hwm h GLN 77 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.43 2hwm h GLN 77 CO 0.57 0.40 -0.78 0.95 -0.95 0.00 0.00 178.83 179.02 2hwm s THR 78 N -3.53 1.33 0.16 -0.54 -4.23 -1.26 -4.81 115.64 102.75 2hwm s THR 78 Ca 0.00 -1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2hwm s THR 78 Cb 0.11 -1.33 -0.07 0.00 1.34 0.00 0.00 72.50 72.55 2hwm s THR 78 CO 0.70 -0.24 1.16 -2.16 -0.54 0.00 0.00 174.62 173.54 2hwm s PRO 79 N -2.06 4.51 0.25 3.99 0.04 -1.26 -4.89 135.00 135.59 2hwm s PRO 79 Ca 0.03 1.80 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2hwm s PRO 79 Cb -0.08 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2hwm s PRO 79 CO 0.03 -0.07 0.26 0.27 0.04 0.00 0.00 177.00 177.53 2hwm n ASN 80 N 2.76 -0.68 0.29 6.66 0.23 -1.26 -5.03 115.26 118.23 2hwm n ASN 80 Ca 0.05 -2.57 0.14 0.00 -0.53 0.00 0.00 54.58 51.67 2hwm n ASN 80 Cb 0.46 1.45 0.86 0.00 -2.08 0.00 0.00 39.78 40.46 2hwm n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2hwm h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -1.24 114.58 111.63 2hwm h GLU 81 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2hwm h GLU 81 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2hwm h GLU 81 CO 0.26 0.01 0.00 0.39 0.07 0.00 0.00 179.01 179.74 2hwm n GLU 82 N -3.93 0.63 0.00 1.06 1.02 -1.26 -3.50 120.64 114.66 2hwm n GLU 82 Ca -0.03 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2hwm n GLU 82 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2hwm n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hwm s LEU 84 N -2.62 4.35 0.05 0.00 1.43 -1.23 -4.50 118.68 116.16 2hwm s LEU 84 Ca 0.16 0.96 0.07 0.00 -1.03 0.00 0.00 54.13 54.29 2hwm s LEU 84 Cb 0.18 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2hwm s LEU 84 CO 0.64 0.08 -0.19 -0.36 0.23 0.00 0.00 176.35 176.75 2hwm s PHE 85 N 0.12 1.69 -0.36 0.29 0.40 -0.52 -1.39 117.98 118.21 2hwm s PHE 85 Ca 0.28 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 2hwm s PHE 85 Cb -0.16 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.38 2hwm s PHE 85 CO 0.13 0.10 0.72 -0.51 0.70 0.00 0.00 175.22 176.36 2hwm s LEU 86 N -1.30 4.19 -0.27 -0.37 1.43 0.14 -0.64 118.68 121.86 2hwm s LEU 86 Ca 0.06 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 2hwm s LEU 86 Cb -0.09 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 2hwm s LEU 86 CO 0.02 -0.68 0.52 -0.70 0.23 0.00 0.00 176.35 175.74 2hwm s GLU 87 N 2.94 4.02 0.11 1.70 2.12 -0.42 -1.33 118.70 127.83 2hwm s GLU 87 Ca 0.28 0.28 0.04 0.00 0.36 0.00 0.00 54.97 55.93 2hwm s GLU 87 Cb -0.14 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 2hwm s GLU 87 CO 0.16 -0.39 -0.10 1.03 -0.54 0.00 0.00 175.26 175.42 2hwm s ARG 88 N 2.34 0.89 0.41 4.30 1.81 -0.38 -4.68 118.95 123.63 2hwm s ARG 88 Ca 0.21 -1.21 -0.23 0.00 -1.72 0.00 0.00 55.73 52.79 2hwm s ARG 88 Cb -0.16 -0.56 -0.10 0.00 -0.45 0.00 0.00 34.95 33.68 2hwm s ARG 88 CO 0.10 0.08 0.98 -1.17 -0.68 0.00 0.00 175.30 174.61 2hwm s LEU 89 N -2.56 4.07 -0.01 2.53 2.96 0.01 -0.62 118.68 125.06 2hwm s LEU 89 Ca 0.07 1.84 -0.02 0.00 -0.22 0.00 0.00 54.13 55.80 2hwm s LEU 89 Cb -0.02 -4.34 -0.00 0.00 0.50 0.00 0.00 46.19 42.33 2hwm s LEU 89 CO 0.00 -0.38 0.04 -0.70 -1.32 0.00 0.00 176.35 174.00 2hwm s GLU 90 N -2.76 0.18 -1.39 1.98 2.56 0.66 -4.82 118.70 115.11 2hwm s GLU 90 Ca 0.59 -0.16 -0.13 0.00 0.00 0.00 0.00 54.97 55.28 2hwm s GLU 90 Cb -0.15 0.07 0.10 0.00 2.00 0.00 0.00 34.13 36.15 2hwm s GLU 90 CO 0.20 -0.03 0.58 0.39 -0.56 0.00 0.00 175.26 175.84 2hwm n GLU 91 N 2.49 -3.28 -2.36 4.30 1.02 -1.26 -0.89 120.64 120.65 2hwm n GLU 91 Ca -0.16 0.41 -0.17 0.00 -0.02 0.00 0.00 57.16 57.22 2hwm n GLU 91 Cb 0.58 -5.12 -0.01 0.00 -0.02 0.00 0.00 31.44 26.86 2hwm n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hwm n ASN 92 N -2.39 -4.90 0.00 1.62 4.13 -1.26 -4.59 115.26 107.88 2hwm n ASN 92 Ca 0.02 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.39 2hwm n ASN 92 Cb 0.52 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.63 2hwm n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2hwm n HIS 93 N -3.61 -1.45 -2.55 3.10 -0.00 -0.28 -5.15 115.22 105.28 2hwm n HIS 93 Ca -0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.27 2hwm n HIS 93 Cb 0.64 0.29 0.03 0.00 -0.00 0.00 0.00 29.99 30.95 2hwm n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2hwm s TYR 94 N -1.66 3.21 -0.12 1.57 2.02 -0.07 -4.83 117.35 117.48 2hwm s TYR 94 Ca 0.00 0.50 -0.05 0.00 -0.37 0.00 0.00 57.07 57.15 2hwm s TYR 94 Cb 0.00 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 2hwm s TYR 94 CO 0.00 -0.73 0.06 -0.80 -1.57 0.00 0.00 175.55 172.50 2hwm s ASN 95 N -4.30 5.67 0.18 2.29 -0.87 0.45 -0.25 114.94 118.12 2hwm s ASN 95 Ca 0.53 0.22 0.10 0.00 -1.57 0.00 0.00 52.86 52.14 2hwm s ASN 95 Cb -0.10 -1.78 -0.04 0.00 -0.02 0.00 0.00 41.25 39.31 2hwm s ASN 95 CO 0.43 0.34 -0.21 0.42 -2.57 0.00 0.00 177.10 175.51 2hwm s THR 96 N -0.61 2.06 -0.22 1.60 -4.23 0.21 -1.17 115.64 113.27 2hwm s THR 96 Ca 0.11 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2hwm s THR 96 Cb -0.12 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.81 2hwm s THR 96 CO 0.02 -0.24 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.54 2hwm s TYR 97 N -1.90 1.78 -0.16 3.99 1.51 -1.26 -1.25 117.35 120.07 2hwm s TYR 97 Ca 0.18 -1.36 -0.08 0.00 -1.01 0.00 0.00 57.07 54.80 2hwm s TYR 97 Cb -0.07 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2hwm s TYR 97 CO 0.08 -0.70 0.12 0.42 -1.11 0.00 0.00 175.55 174.36 2hwm s ILE 98 N 1.60 5.34 0.08 2.71 1.01 -0.45 -1.22 121.20 130.28 2hwm s ILE 98 Ca -0.04 0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 2hwm s ILE 98 Cb -0.18 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 2hwm s ILE 98 CO -0.07 0.53 1.91 -0.24 0.00 0.00 0.00 174.94 177.07 2hwm n SER 99 N 2.80 4.14 -0.16 3.58 2.88 -0.08 0.27 113.62 127.05 2hwm n SER 99 Ca -0.18 0.94 -0.10 0.00 -1.33 0.00 0.00 58.87 58.21 2hwm n SER 99 Cb 0.53 -1.54 -0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2hwm n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hwm h LYS 100 N 9.64 0.75 -0.92 -1.46 3.64 -1.55 0.37 116.57 127.04 2hwm h LYS 100 Ca -0.48 -0.21 0.07 0.00 -1.27 0.00 0.00 60.65 58.77 2hwm h LYS 100 Cb 1.23 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 2hwm h LYS 100 CO 0.95 0.78 0.60 -0.22 -2.27 0.00 0.00 179.45 179.28 2hwm h LYS 101 N 0.60 0.99 -0.38 1.90 1.63 -1.77 -2.47 116.57 117.07 2hwm h LYS 101 Ca 0.13 -0.06 -0.16 0.00 -0.85 0.00 0.00 60.65 59.71 2hwm h LYS 101 Cb 0.40 -0.22 -0.10 0.00 -0.60 0.00 0.00 32.23 31.71 2hwm h LYS 101 CO 0.01 0.66 0.00 0.72 -3.45 0.00 0.00 179.45 177.39 2hwm n HIS 102 N -4.50 1.22 -0.31 1.91 8.25 -1.15 -4.75 115.22 115.89 2hwm n HIS 102 Ca 0.14 -1.44 0.10 0.00 -0.26 0.00 0.00 57.72 56.26 2hwm n HIS 102 Cb 0.22 -0.49 0.33 0.00 1.12 0.00 0.00 29.99 31.17 2hwm n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hwm h ALA 103 N 1.20 1.71 0.00 -1.41 0.00 -0.43 -0.93 119.26 119.41 2hwm h ALA 103 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2hwm h ALA 103 Cb 1.71 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2hwm h ALA 103 CO 0.41 0.03 -0.06 1.49 0.00 0.00 0.00 179.25 181.13 2hwm h GLU 104 N 0.81 0.00 -0.02 0.00 4.81 -1.85 -1.55 114.58 116.78 2hwm h GLU 104 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2hwm h GLU 104 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2hwm h GLU 104 CO -0.24 0.06 -0.07 1.63 -0.73 0.00 0.00 179.01 179.66 2hwm n LYS 105 N -3.59 1.60 -3.55 1.92 5.02 -0.36 -4.97 118.16 114.22 2hwm n LYS 105 Ca -0.02 -1.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.05 2hwm n LYS 105 Cb 0.17 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 2hwm n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hwm n ASN 106 N 0.20 -2.08 -4.61 4.39 4.13 -0.58 -4.96 115.26 111.74 2hwm n ASN 106 Ca 0.17 -0.73 -0.39 0.00 1.68 0.00 0.00 54.58 55.30 2hwm n ASN 106 Cb 0.40 -4.57 -0.09 0.00 -1.54 0.00 0.00 39.78 33.97 2hwm n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2hwm s TRP 107 N -3.51 3.26 0.27 3.10 0.52 -1.25 -4.42 118.94 116.90 2hwm s TRP 107 Ca 0.05 0.41 0.09 0.00 0.02 0.00 0.00 56.10 56.67 2hwm s TRP 107 Cb -0.01 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 2hwm s TRP 107 CO 0.77 -0.18 0.05 -0.06 0.02 0.00 0.00 176.95 177.55 2hwm s PHE 108 N 1.91 2.79 -0.06 -1.98 0.40 -1.26 -0.91 117.98 118.87 2hwm s PHE 108 Ca 0.15 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 2hwm s PHE 108 Cb -0.16 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 2hwm s PHE 108 CO 0.09 0.58 1.09 0.08 0.70 0.00 0.00 175.22 177.77 2hwm s VAL 109 N -2.29 4.53 0.00 -0.44 1.01 -0.35 -4.63 120.40 118.23 2hwm s VAL 109 Ca 0.32 1.82 -0.16 0.00 0.00 0.00 0.00 61.98 63.97 2hwm s VAL 109 Cb -0.06 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.17 2hwm s VAL 109 CO 0.21 0.03 0.33 -0.83 0.00 0.00 0.00 175.10 174.84 2hwm s GLY 110 N 1.23 -0.17 -0.06 4.51 0.00 -1.26 -4.43 107.32 107.14 2hwm s GLY 110 Ca 0.52 0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.60 2hwm s GLY 110 CO 0.21 0.07 -0.25 1.08 0.00 0.00 0.00 173.10 174.22 2hwm s LEU 111 N -1.54 2.07 0.74 0.66 1.43 -0.62 -1.06 118.68 120.36 2hwm s LEU 111 Ca -0.11 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 2hwm s LEU 111 Cb -0.04 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.86 2hwm s LEU 111 CO 0.02 0.24 1.12 -0.54 0.23 0.00 0.00 176.35 177.42 2hwm s LYS 112 N -0.13 2.43 0.57 1.70 1.02 -0.03 -4.42 119.74 120.88 2hwm s LYS 112 Ca -0.05 0.23 0.26 0.00 0.02 0.00 0.00 55.97 56.44 2hwm s LYS 112 Cb -0.14 -2.02 1.66 0.00 -0.52 0.00 0.00 37.83 36.81 2hwm s LYS 112 CO 0.04 -1.27 2.20 0.87 -0.92 0.00 0.00 175.35 176.27 2hwm h LYS 113 N -0.80 0.00 -0.26 1.68 1.57 -1.88 -1.41 116.57 115.48 2hwm h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2hwm h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2hwm h LYS 113 CO 0.64 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 2hwm n ASN 114 N -4.01 1.69 0.00 0.86 0.23 -1.26 -4.66 115.26 108.10 2hwm n ASN 114 Ca -0.02 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.16 2hwm n ASN 114 Cb 0.14 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 2hwm n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hwm n GLY 115 N 1.06 0.78 3.88 4.83 0.00 -0.53 -4.99 105.19 110.22 2hwm n GLY 115 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2hwm n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hwm s SER 116 N -2.81 6.58 0.44 1.61 1.04 -1.26 -0.60 113.70 118.70 2hwm s SER 116 Ca 0.00 0.72 -0.22 0.00 0.48 0.00 0.00 55.95 56.93 2hwm s SER 116 Cb 0.00 -2.15 -0.09 0.00 0.10 0.00 0.00 66.02 63.89 2hwm s SER 116 CO 0.00 0.10 1.05 -0.69 0.98 0.00 0.00 173.24 174.68 2hwm s VAL 117 N -1.54 3.72 0.26 5.02 1.01 -1.26 -0.85 120.40 126.76 2hwm s VAL 117 Ca 0.37 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 2hwm s VAL 117 Cb -0.13 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2hwm s VAL 117 CO 0.21 -0.11 0.66 -0.54 0.00 0.00 0.00 175.10 175.32 2hwm s LYS 118 N -2.85 3.98 0.27 2.72 1.02 -0.22 -4.84 119.74 119.82 2hwm s LYS 118 Ca 0.63 0.57 -0.28 0.00 0.02 0.00 0.00 55.97 56.91 2hwm s LYS 118 Cb -0.20 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 2hwm s LYS 118 CO 0.24 0.28 0.92 0.50 -0.92 0.00 0.00 175.35 176.37 2hwm s ARG 119 N -2.66 4.70 0.21 1.68 3.52 -1.26 -4.64 118.95 120.50 2hwm s ARG 119 Ca 0.49 1.38 -0.21 0.00 -0.13 0.00 0.00 55.73 57.25 2hwm s ARG 119 Cb -0.12 -3.06 0.15 0.00 -1.56 0.00 0.00 34.95 30.37 2hwm s ARG 119 CO 0.19 0.41 1.55 0.78 -0.81 0.00 0.00 175.30 177.43 2hwm h GLY 120 N 3.71 -0.17 2.00 8.12 0.00 -1.04 0.13 103.07 115.83 2hwm h GLY 120 Ca -0.46 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2hwm h GLY 120 CO 0.66 -0.14 0.00 -2.55 0.00 0.00 0.00 176.54 174.51 2hwm h PRO 121 N -0.02 0.00 -0.01 4.80 0.11 -1.86 -1.31 132.00 133.70 2hwm h PRO 121 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2hwm h PRO 121 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2hwm h PRO 121 CO -0.95 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 177.23 2hwm n ARG 122 N -2.67 1.22 -3.80 1.05 5.12 0.46 -4.88 116.66 113.16 2hwm n ARG 122 Ca -0.02 -0.73 -0.21 0.00 -1.93 0.00 0.00 57.85 54.96 2hwm n ARG 122 Cb 0.05 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.85 2hwm n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hwm s THR 123 N -2.29 4.98 -0.07 0.55 -4.23 -0.50 -4.95 115.64 109.14 2hwm s THR 123 Ca 0.30 -0.94 -0.31 0.00 -1.18 0.00 0.00 61.69 59.56 2hwm s THR 123 Cb 0.20 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.39 2hwm s THR 123 CO 0.44 -0.31 1.09 -1.38 -0.54 0.00 0.00 174.62 173.92 2hwm s HIS 124 N -2.06 -0.19 0.45 3.99 -3.43 -1.26 -4.83 115.29 107.96 2hwm s HIS 124 Ca 0.37 0.08 -0.24 0.00 -0.80 0.00 0.00 55.06 54.46 2hwm s HIS 124 Cb -0.09 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 2hwm s HIS 124 CO 0.30 -0.39 1.20 0.66 -2.00 0.00 0.00 174.74 174.52 2hwm n TYR 125 N -0.24 1.85 0.00 0.38 4.01 -1.26 -2.91 117.16 118.99 2hwm n TYR 125 Ca -0.04 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 2hwm n TYR 125 Cb 0.60 -2.33 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 2hwm n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hwm n GLY 126 N 0.92 2.43 3.86 2.72 0.00 -1.26 -5.07 105.19 108.78 2hwm n GLY 126 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2hwm n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwm s GLN 127 N -0.91 3.78 0.20 1.61 -0.21 -1.15 -4.97 119.66 118.01 2hwm s GLN 127 Ca 0.00 0.86 0.15 0.00 0.02 0.00 0.00 55.36 56.38 2hwm s GLN 127 Cb 0.00 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 2hwm s GLN 127 CO 0.00 -0.41 1.26 0.87 -2.12 0.00 0.00 175.29 174.88 2hwm h LYS 128 N 0.33 0.00 0.00 2.91 1.79 -1.97 -3.32 116.57 116.31 2hwm h LYS 128 Ca -0.45 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 2hwm h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2hwm h LYS 128 CO 0.62 0.50 -0.07 0.00 -1.08 0.00 0.00 179.45 179.41 2hwm h ALA 129 N 1.42 1.56 -0.01 3.86 0.00 -1.94 -2.62 119.26 121.54 2hwm h ALA 129 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hwm h ALA 129 Cb 1.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2hwm h ALA 129 CO 0.07 0.09 -0.09 0.44 0.00 0.00 0.00 179.25 179.75 2hwm n ILE 130 N -3.99 0.00 -3.18 0.00 -5.35 -1.25 -1.59 119.36 104.00 2hwm n ILE 130 Ca -0.03 -0.18 -0.40 0.00 -0.27 0.00 0.00 62.75 61.87 2hwm n ILE 130 Cb 0.16 0.35 -0.07 0.00 -1.74 0.00 0.00 39.64 38.34 2hwm n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hwm s LEU 131 N -2.20 4.06 0.15 7.28 1.43 -0.99 -4.43 118.68 123.98 2hwm s LEU 131 Ca 0.33 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 2hwm s LEU 131 Cb 0.20 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2hwm s LEU 131 CO 0.41 -0.31 -0.20 -0.36 0.23 0.00 0.00 176.35 176.11 2hwm s PHE 132 N 2.32 1.92 -0.12 0.29 0.40 -0.32 -1.93 117.98 120.53 2hwm s PHE 132 Ca 0.23 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2hwm s PHE 132 Cb -0.16 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.40 2hwm s PHE 132 CO 0.09 0.32 -0.16 -0.51 0.70 0.00 0.00 175.22 175.66 2hwm s LEU 133 N -2.42 1.79 -0.49 -0.37 1.43 0.04 -0.41 118.68 118.25 2hwm s LEU 133 Ca 0.14 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 2hwm s LEU 133 Cb -0.08 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 45.00 2hwm s LEU 133 CO 0.06 0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.62 2hwm s PRO 134 N 1.08 3.67 -0.18 1.29 0.04 -1.26 -1.47 135.00 138.18 2hwm s PRO 134 Ca -0.04 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 2hwm s PRO 134 Cb -0.14 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 2hwm s PRO 134 CO -0.04 -1.41 0.16 -0.51 0.04 0.00 0.00 177.00 175.24 2hwm s LEU 135 N 4.46 4.26 0.57 -3.56 1.43 0.18 -4.89 118.68 121.13 2hwm s LEU 135 Ca 0.46 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.69 2hwm s LEU 135 Cb -0.07 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 2hwm s LEU 135 CO 0.31 0.22 1.09 -2.65 0.23 0.00 0.00 176.35 175.54 2hwm n PRO 136 N 3.19 1.15 0.00 1.29 -0.02 -1.26 -0.61 135.00 138.74 2hwm n PRO 136 Ca -0.16 0.44 0.16 0.00 -2.02 0.00 0.00 63.50 61.91 2hwm n PRO 136 Cb 0.53 -2.28 0.92 0.00 -0.02 0.00 0.00 33.50 32.65 2hwm n PRO 136 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76