#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwt n ARG 3 N 0.00 2.55 -3.75 0.00 1.74 -1.26 -5.08 116.66 110.87 2hwt n ARG 3 Ca 0.00 -4.67 -0.26 0.00 -0.77 0.00 0.00 57.85 52.15 2hwt n ARG 3 Cb 0.00 -2.25 -0.03 0.00 -1.02 0.00 0.00 32.46 29.16 2hwt n ARG 3 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2hwt s GLN 4 N -2.52 3.49 0.18 5.56 -0.21 -1.26 -5.11 119.66 119.79 2hwt s GLN 4 Ca 0.40 -0.45 0.07 0.00 0.02 0.00 0.00 55.36 55.41 2hwt s GLN 4 Cb 0.16 -2.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2hwt s GLN 4 CO -0.02 0.40 -0.14 0.14 -2.12 0.00 0.00 175.29 173.56 2hwt s VAL 5 N -1.90 1.59 0.31 1.09 -7.23 -1.26 -5.12 120.40 107.87 2hwt s VAL 5 Ca 0.37 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 2hwt s VAL 5 Cb -0.11 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 2hwt s VAL 5 CO 0.30 -0.56 0.71 -0.63 -0.31 0.00 0.00 175.10 174.60 2hwt s ILE 6 N -2.80 4.72 0.57 -0.62 1.09 -1.26 -5.07 121.20 117.83 2hwt s ILE 6 Ca 0.19 0.85 -0.15 0.00 -1.10 0.00 0.00 60.65 60.43 2hwt s ILE 6 Cb -0.01 -3.62 -0.05 0.00 -1.06 0.00 0.00 42.46 37.72 2hwt s ILE 6 CO 0.05 -0.19 1.03 0.00 -0.10 0.00 0.00 174.94 175.73 2hwt s TRP 8 N -2.60 3.16 -0.24 0.00 0.52 0.00 -4.79 118.94 114.99 2hwt s TRP 8 Ca 0.61 -0.90 -0.13 0.00 0.02 0.00 0.00 56.10 55.70 2hwt s TRP 8 Cb -0.13 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 2hwt s TRP 8 CO 0.37 -0.55 0.28 0.00 0.02 0.00 0.00 176.95 177.06 2hwt s PHE 10 N 1.39 0.66 -0.06 0.00 -0.71 -1.22 -0.64 117.98 117.39 2hwt s PHE 10 Ca 0.13 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 54.95 2hwt s PHE 10 Cb -0.15 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2hwt s PHE 10 CO 0.07 -0.53 -0.05 0.99 -1.34 0.00 0.00 175.22 174.36 2hwt s THR 11 N -4.00 0.69 -0.26 -4.49 2.01 -0.05 -3.70 115.64 105.85 2hwt s THR 11 Ca 0.18 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2hwt s THR 11 Cb 0.07 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2hwt s THR 11 CO -0.02 0.28 0.05 -0.22 -0.69 0.00 0.00 174.62 174.02 2hwt s LEU 12 N 1.21 3.45 -0.17 4.42 2.96 0.17 -3.01 118.68 127.70 2hwt s LEU 12 Ca -0.06 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 2hwt s LEU 12 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2hwt s LEU 12 CO -0.02 -0.08 0.09 0.54 -1.32 0.00 0.00 176.35 175.56 2hwt s ASN 13 N 1.55 5.87 -1.06 3.68 4.22 -1.26 0.09 114.94 128.03 2hwt s ASN 13 Ca 0.05 0.18 -0.17 0.00 -2.14 0.00 0.00 52.86 50.78 2hwt s ASN 13 Cb -0.16 -1.98 -0.01 0.00 1.28 0.00 0.00 41.25 40.39 2hwt s ASN 13 CO 0.02 0.23 0.76 0.59 -2.04 0.00 0.00 177.10 176.66 2hwt n ASN 14 N 3.20 -5.53 -4.77 3.54 3.02 -1.09 -4.94 115.26 108.69 2hwt n ASN 14 Ca -0.17 -0.92 -0.31 0.00 -0.03 0.00 0.00 54.58 53.15 2hwt n ASN 14 Cb 0.53 -3.36 0.08 0.00 -0.61 0.00 0.00 39.78 36.42 2hwt n ASN 14 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2hwt s PRO 15 N -5.58 2.34 0.00 3.52 0.04 -1.26 -4.97 135.00 129.08 2hwt s PRO 15 Ca 0.38 1.20 0.19 0.00 0.04 0.00 0.00 61.00 62.81 2hwt s PRO 15 Cb -0.14 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2hwt s PRO 15 CO 0.86 -1.59 0.96 1.28 0.04 0.00 0.00 177.00 178.55 2hwt n LEU 16 N -3.35 1.88 0.00 -3.56 4.32 -1.26 -5.02 117.00 110.00 2hwt n LEU 16 Ca 0.09 -0.79 0.00 0.00 -0.02 0.00 0.00 56.01 55.29 2hwt n LEU 16 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2hwt n LEU 16 CO 0.53 0.35 0.00 -1.54 -1.22 0.00 0.00 177.39 175.51 2hwt n SER 17 N 0.04 0.00 -4.77 -1.43 3.41 -1.26 -5.16 113.62 104.45 2hwt n SER 17 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.35 2hwt n SER 17 Cb 0.40 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 2hwt n SER 17 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2hwt s PRO 18 N -2.00 3.09 1.00 4.33 0.04 -1.26 -5.03 135.00 135.17 2hwt s PRO 18 Ca 0.00 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 2hwt s PRO 18 Cb 0.00 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 32.75 2hwt s PRO 18 CO 0.00 -1.04 1.11 -0.51 0.04 0.00 0.00 177.00 176.60 2hwt s LEU 19 N -4.32 1.59 0.14 -3.56 1.43 -1.26 -5.09 118.68 107.62 2hwt s LEU 19 Ca 0.70 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.72 2hwt s LEU 19 Cb -0.22 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2hwt s LEU 19 CO 0.34 -3.11 0.29 -0.94 0.23 0.00 0.00 176.35 173.16 2hwt s SER 20 N -3.69 0.00 0.63 2.29 1.04 -1.26 -5.15 113.70 107.55 2hwt s SER 20 Ca 0.66 -0.71 -0.18 0.00 0.48 0.00 0.00 55.95 56.21 2hwt s SER 20 Cb -0.16 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2hwt s SER 20 CO 0.56 -0.86 1.19 -0.22 0.98 0.00 0.00 173.24 174.89 2hwt s LEU 21 N -2.91 3.56 -0.05 2.42 2.96 -1.26 -5.04 118.68 118.37 2hwt s LEU 21 Ca 0.11 2.32 0.04 0.00 -0.22 0.00 0.00 54.13 56.38 2hwt s LEU 21 Cb 0.03 -4.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.11 2hwt s LEU 21 CO -0.05 -1.72 -0.16 -2.28 -1.32 0.00 0.00 176.35 170.83 2hwt s HIS 22 N -1.78 2.66 0.43 5.38 5.65 -1.26 -5.00 115.29 121.37 2hwt s HIS 22 Ca 0.75 -0.24 0.32 0.00 0.25 0.00 0.00 55.06 56.14 2hwt s HIS 22 Cb -0.29 -1.63 1.65 0.00 -1.18 0.00 0.00 32.58 31.14 2hwt s HIS 22 CO 0.36 0.12 2.13 -0.44 -0.65 0.00 0.00 174.74 176.27 2hwt h ASP 23 N 5.47 0.00 0.17 9.88 5.19 -2.02 -2.75 116.42 132.36 2hwt h ASP 23 Ca -0.44 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.62 2hwt h ASP 23 Cb 1.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2hwt h ASP 23 CO 0.50 0.07 -1.77 0.28 -3.12 0.00 0.00 179.24 175.20 2hwt h SER 24 N 0.00 0.55 -2.56 6.45 0.02 -1.99 -3.47 113.55 112.55 2hwt h SER 24 Ca -0.00 -0.93 -0.23 0.00 -0.84 0.00 0.00 61.79 59.79 2hwt h SER 24 Cb 0.27 -0.18 0.11 0.00 0.14 0.00 0.00 62.40 62.74 2hwt h SER 24 CO 0.01 1.79 0.06 1.15 -1.14 0.00 0.00 176.83 178.70 2hwt n MET 25 N -3.61 -2.27 0.00 3.45 0.00 -1.04 -2.68 117.12 110.98 2hwt n MET 25 Ca -0.26 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.43 2hwt n MET 25 Cb 1.05 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 33.33 2hwt n MET 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2hwt n LYS 26 N -3.44 0.29 -4.07 3.17 5.02 -0.92 -4.63 118.16 113.58 2hwt n LYS 26 Ca 0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 2hwt n LYS 26 Cb 0.34 -0.85 -0.12 0.00 -0.02 0.00 0.00 35.03 34.38 2hwt n LYS 26 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2hwt s TYR 27 N -1.70 0.61 -0.09 2.13 5.04 -1.23 -2.61 117.35 119.51 2hwt s TYR 27 Ca 0.00 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.22 2hwt s TYR 27 Cb 0.00 -0.37 0.02 0.00 0.35 0.00 0.00 41.96 41.95 2hwt s TYR 27 CO 0.00 -0.08 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.84 2hwt s LEU 28 N -1.32 1.59 -0.04 6.97 2.96 -0.03 -3.36 118.68 125.45 2hwt s LEU 28 Ca -0.08 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2hwt s LEU 28 Cb -0.09 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.70 2hwt s LEU 28 CO 0.00 -0.00 0.06 -0.69 -1.32 0.00 0.00 176.35 174.40 2hwt s VAL 29 N 1.00 -0.11 -0.02 1.68 1.01 -1.14 -0.17 120.40 122.65 2hwt s VAL 29 Ca -0.08 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 2hwt s VAL 29 Cb -0.15 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.12 2hwt s VAL 29 CO -0.01 0.16 0.43 -0.72 0.00 0.00 0.00 175.10 174.96 2hwt s TYR 30 N 1.96 -0.33 0.10 5.22 -0.85 -1.20 -1.80 117.35 120.46 2hwt s TYR 30 Ca 0.02 0.50 0.03 0.00 -0.52 0.00 0.00 57.07 57.10 2hwt s TYR 30 Cb -0.12 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 2hwt s TYR 30 CO -0.03 -0.48 -0.08 -0.65 -1.52 0.00 0.00 175.55 172.79 2hwt s GLN 31 N -1.45 0.87 -0.07 -3.49 -0.21 -0.63 -3.22 119.66 111.45 2hwt s GLN 31 Ca -0.12 -1.27 -0.15 0.00 0.02 0.00 0.00 55.36 53.84 2hwt s GLN 31 Cb -0.03 -0.39 -0.05 0.00 1.00 0.00 0.00 33.01 33.54 2hwt s GLN 31 CO 0.05 0.03 0.40 0.99 -2.12 0.00 0.00 175.29 174.64 2hwt s THR 32 N -3.09 5.15 0.26 -0.19 2.01 -1.10 -2.10 115.64 116.60 2hwt s THR 32 Ca 0.10 0.79 0.03 0.00 0.31 0.00 0.00 61.69 62.91 2hwt s THR 32 Cb 0.01 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2hwt s THR 32 CO -0.02 0.46 0.05 -1.61 -0.69 0.00 0.00 174.62 172.81 2hwt s GLU 33 N -0.22 1.44 -0.41 4.92 8.01 -0.70 -0.05 118.70 131.69 2hwt s GLU 33 Ca 0.23 -1.77 -0.29 0.00 0.01 0.00 0.00 54.97 53.15 2hwt s GLU 33 Cb -0.15 -0.53 0.02 0.00 -4.31 0.00 0.00 34.13 29.16 2hwt s GLU 33 CO 0.10 -0.20 1.13 -0.65 0.01 0.00 0.00 175.26 175.65 2hwt s GLN 34 N -3.94 3.86 0.06 1.61 -0.21 -0.96 -2.61 119.66 117.47 2hwt s GLN 34 Ca 0.34 0.79 -0.01 0.00 0.02 0.00 0.00 55.36 56.50 2hwt s GLN 34 Cb 0.07 -3.84 0.02 0.00 1.00 0.00 0.00 33.01 30.25 2hwt s GLN 34 CO 0.12 -1.20 0.04 0.41 -2.12 0.00 0.00 175.29 172.55 2hwt n GLY 35 N 4.47 -3.34 1.45 3.09 0.00 -1.19 -4.75 105.19 104.92 2hwt n GLY 35 Ca 0.12 -1.30 0.05 0.00 0.00 0.00 0.00 46.02 44.89 2hwt n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hwt n GLU 36 N -2.01 3.66 -0.91 1.61 1.02 -1.26 -4.94 120.64 117.81 2hwt n GLU 36 Ca 0.01 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 2hwt n GLU 36 Cb 0.03 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 2hwt n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hwt n ALA 37 N 0.50 0.00 -0.16 0.62 0.00 -1.26 -5.00 120.51 115.20 2hwt n ALA 37 Ca 0.20 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.92 2hwt n ALA 37 Cb 0.89 0.00 0.72 0.00 0.00 0.00 0.00 19.45 21.06 2hwt n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hwt h GLY 38 N 0.00 0.00 -1.11 0.00 0.00 -2.03 -3.41 103.07 96.52 2hwt h GLY 38 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 2hwt h GLY 38 CO 0.00 0.00 0.25 -1.31 0.00 0.00 0.00 176.54 175.48 2hwt s ASN 39 N -5.45 4.22 0.36 0.19 0.01 -1.26 -4.99 114.94 108.02 2hwt s ASN 39 Ca -0.05 0.20 0.09 0.00 -0.71 0.00 0.00 52.86 52.39 2hwt s ASN 39 Cb 0.21 -0.61 -0.07 0.00 0.41 0.00 0.00 41.25 41.19 2hwt s ASN 39 CO 0.74 -1.98 -0.07 0.27 -1.51 0.00 0.00 177.10 174.54 2hwt s ILE 40 N -3.40 2.21 0.22 0.60 -4.36 -1.26 -3.16 121.20 112.04 2hwt s ILE 40 Ca 0.66 -2.16 0.07 0.00 -0.26 0.00 0.00 60.65 58.96 2hwt s ILE 40 Cb -0.07 -2.72 -0.05 0.00 1.25 0.00 0.00 42.46 40.87 2hwt s ILE 40 CO 0.47 -0.16 -0.13 -1.38 0.24 0.00 0.00 174.94 173.98 2hwt s HIS 41 N -2.63 1.75 -0.03 1.37 -3.43 -1.07 -2.66 115.29 108.59 2hwt s HIS 41 Ca 0.33 -0.60 0.03 0.00 -0.80 0.00 0.00 55.06 54.02 2hwt s HIS 41 Cb 0.04 -0.84 -0.03 0.00 -1.43 0.00 0.00 32.58 30.31 2hwt s HIS 41 CO 0.17 0.34 -0.08 -0.06 -2.00 0.00 0.00 174.74 173.11 2hwt s PHE 42 N -2.99 2.87 -0.11 0.38 0.40 0.11 -1.71 117.98 116.93 2hwt s PHE 42 Ca 0.24 -0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.47 2hwt s PHE 42 Cb 0.00 -1.64 0.05 0.00 0.51 0.00 0.00 43.02 41.94 2hwt s PHE 42 CO 0.08 0.34 0.27 -0.65 0.70 0.00 0.00 175.22 175.95 2hwt s GLN 43 N -1.14 0.24 -0.00 0.44 -0.21 -0.89 -0.66 119.66 117.44 2hwt s GLN 43 Ca 0.15 0.55 -0.03 0.00 0.02 0.00 0.00 55.36 56.05 2hwt s GLN 43 Cb -0.11 -0.08 0.01 0.00 1.00 0.00 0.00 33.01 33.83 2hwt s GLN 43 CO 0.05 -0.15 0.14 0.41 -2.12 0.00 0.00 175.29 173.62 2hwt n GLY 44 N 4.11 0.60 3.22 3.09 0.00 -1.24 -1.61 105.19 113.36 2hwt n GLY 44 Ca -0.24 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 2hwt n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hwt s TYR 45 N -3.03 2.01 -0.06 1.61 -0.85 -0.74 -3.42 117.35 112.86 2hwt s TYR 45 Ca 0.03 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.12 2hwt s TYR 45 Cb -0.00 -1.31 0.01 0.00 0.38 0.00 0.00 41.96 41.04 2hwt s TYR 45 CO -0.00 -0.11 -0.12 0.42 -1.52 0.00 0.00 175.55 174.22 2hwt s ILE 46 N -0.30 1.10 -0.26 -3.49 1.01 -0.57 -2.89 121.20 115.80 2hwt s ILE 46 Ca 0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2hwt s ILE 46 Cb -0.10 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2hwt s ILE 46 CO 0.01 0.35 0.10 -1.61 0.00 0.00 0.00 174.94 173.79 2hwt s GLU 47 N 0.69 3.66 0.95 2.79 2.02 -1.21 -0.82 118.70 126.77 2hwt s GLU 47 Ca -0.14 -0.48 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 2hwt s GLU 47 Cb -0.16 -3.42 0.22 0.00 0.10 0.00 0.00 34.13 30.87 2hwt s GLU 47 CO 0.03 -0.22 1.29 -1.33 0.02 0.00 0.00 175.26 175.06 2hwt n MET 48 N 4.96 -1.21 0.22 1.61 2.81 -1.26 -2.17 117.12 122.07 2hwt n MET 48 Ca -0.15 -2.07 -0.16 0.00 -1.81 0.00 0.00 57.70 53.51 2hwt n MET 48 Cb 0.51 -1.31 -0.09 0.00 -0.71 0.00 0.00 33.22 31.63 2hwt n MET 48 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2hwt h LYS 49 N 0.00 -0.80 0.00 0.03 1.63 -1.77 -3.40 116.57 112.26 2hwt h LYS 49 Ca -0.42 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2hwt h LYS 49 Cb 1.17 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2hwt h LYS 49 CO 0.30 -0.53 0.00 1.63 -3.45 0.00 0.00 179.45 177.40 2hwt n LYS 50 N -5.13 0.00 -1.37 1.90 4.76 -1.26 -4.97 118.16 112.09 2hwt n LYS 50 Ca -0.10 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.11 2hwt n LYS 50 Cb 0.40 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.51 2hwt n LYS 50 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2hwt n ARG 51 N -1.04 2.30 -3.84 1.97 0.63 -1.26 -4.87 116.66 110.55 2hwt n ARG 51 Ca 0.00 -2.04 -0.36 0.00 -0.92 0.00 0.00 57.85 54.53 2hwt n ARG 51 Cb 0.00 -2.10 -0.13 0.00 0.45 0.00 0.00 32.46 30.68 2hwt n ARG 51 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2hwt s THR 52 N -1.56 3.57 1.06 5.15 2.01 -1.26 -5.11 115.64 119.51 2hwt s THR 52 Ca 0.60 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.66 2hwt s THR 52 Cb 0.37 -2.81 0.25 0.00 0.01 0.00 0.00 72.50 70.32 2hwt s THR 52 CO -0.17 0.16 1.30 -0.94 -0.69 0.00 0.00 174.62 174.28 2hwt s SER 53 N 1.45 2.23 0.54 3.53 1.04 -1.26 -4.83 113.70 116.40 2hwt s SER 53 Ca 0.02 0.23 0.29 0.00 0.48 0.00 0.00 55.95 56.98 2hwt s SER 53 Cb -0.17 -0.22 1.46 0.00 0.10 0.00 0.00 66.02 67.20 2hwt s SER 53 CO -0.00 -3.28 1.92 0.25 0.98 0.00 0.00 173.24 173.11 2hwt h LEU 54 N -2.02 0.00 -1.74 2.42 5.85 -2.00 0.12 115.31 117.94 2hwt h LEU 54 Ca -0.44 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.45 2hwt h LEU 54 Cb 1.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2hwt h LEU 54 CO 0.31 0.00 0.49 0.00 -0.34 0.00 0.00 178.44 178.89 2hwt h ALA 55 N 1.60 2.30 -0.15 1.25 0.00 -1.98 0.27 119.26 122.55 2hwt h ALA 55 Ca 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2hwt h ALA 55 Cb 1.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2hwt h ALA 55 CO -0.00 -0.50 -0.14 0.78 0.00 0.00 0.00 179.25 179.39 2hwt h GLY 56 N 0.25 0.39 0.58 0.00 0.00 -1.07 -2.46 103.07 100.75 2hwt h GLY 56 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2hwt h GLY 56 CO -0.08 0.35 -0.16 -0.33 0.00 0.00 0.00 176.54 176.33 2hwt h MET 57 N -0.01 0.21 -0.62 4.80 2.07 -1.40 -3.16 114.93 116.82 2hwt h MET 57 Ca 0.03 -0.15 0.14 0.00 -2.07 0.00 0.00 59.70 57.65 2hwt h MET 57 Cb 0.66 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.38 2hwt h MET 57 CO 0.03 0.76 0.43 -0.22 1.07 0.00 0.00 176.91 178.98 2hwt h LYS 58 N -0.31 0.20 -0.38 1.72 3.64 -0.61 0.76 116.57 121.59 2hwt h LYS 58 Ca -0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2hwt h LYS 58 Cb 0.77 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2hwt h LYS 58 CO 0.03 0.13 0.26 0.87 -2.27 0.00 0.00 179.45 178.48 2hwt h LYS 59 N 0.21 0.22 0.16 1.90 1.57 -1.40 0.36 116.57 119.59 2hwt h LYS 59 Ca 0.30 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.76 2hwt h LYS 59 Cb 0.89 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 33.18 2hwt h LYS 59 CO -0.06 0.14 -1.32 -0.07 -0.57 0.00 0.00 179.45 177.58 2hwt h LEU 60 N 0.22 0.81 -6.20 2.94 4.07 -0.96 -3.40 115.31 112.79 2hwt h LEU 60 Ca 0.17 -0.79 -0.57 0.00 0.08 0.00 0.00 57.88 56.77 2hwt h LEU 60 Cb 0.39 -0.26 -0.38 0.00 1.08 0.00 0.00 40.66 41.50 2hwt h LEU 60 CO -0.03 1.61 -1.00 -0.38 -1.08 0.00 0.00 178.44 177.55 2hwt n ILE 61 N -3.74 -1.02 -2.07 1.22 -0.00 -0.68 -5.06 119.36 108.01 2hwt n ILE 61 Ca -0.14 -3.53 -0.41 0.00 -0.00 0.00 0.00 62.75 58.67 2hwt n ILE 61 Cb 1.03 -1.65 -0.03 0.00 -0.00 0.00 0.00 39.64 38.99 2hwt n ILE 61 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2hwt s PRO 62 N -0.31 3.11 0.00 0.38 0.04 0.12 -3.55 135.00 134.79 2hwt s PRO 62 Ca 0.34 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2hwt s PRO 62 Cb 0.08 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2hwt s PRO 62 CO -0.17 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.14 2hwt n GLY 63 N 5.47 1.16 3.41 0.56 0.00 -1.26 -5.11 105.19 109.43 2hwt n GLY 63 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2hwt n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwt s ALA 64 N -1.38 2.21 -0.40 4.61 0.00 -1.23 -4.94 121.76 120.63 2hwt s ALA 64 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 2hwt s ALA 64 Cb 0.00 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2hwt s ALA 64 CO 0.00 -0.36 0.51 -1.58 0.00 0.00 0.00 175.76 174.33 2hwt s HIS 65 N -3.43 3.15 0.24 0.00 2.46 -1.17 -4.98 115.29 111.56 2hwt s HIS 65 Ca 0.36 -0.12 0.09 0.00 0.47 0.00 0.00 55.06 55.86 2hwt s HIS 65 Cb 0.08 -3.01 -0.04 0.00 -0.13 0.00 0.00 32.58 29.48 2hwt s HIS 65 CO 0.15 -0.69 -0.02 -0.06 -2.47 0.00 0.00 174.74 171.66 2hwt s PHE 66 N 2.38 2.71 -0.21 3.88 0.40 -1.26 -0.87 117.98 125.00 2hwt s PHE 66 Ca 0.17 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2hwt s PHE 66 Cb -0.16 -1.23 0.11 0.00 0.51 0.00 0.00 43.02 42.25 2hwt s PHE 66 CO 0.15 0.59 0.33 -1.21 0.70 0.00 0.00 175.22 175.78 2hwt s GLU 67 N -3.46 0.28 -0.18 0.44 2.02 0.19 -4.96 118.70 113.04 2hwt s GLU 67 Ca 0.30 0.55 0.17 0.00 0.02 0.00 0.00 54.97 56.00 2hwt s GLU 67 Cb -0.07 -0.49 0.51 0.00 0.10 0.00 0.00 34.13 34.17 2hwt s GLU 67 CO 0.19 -0.55 1.40 0.36 0.02 0.00 0.00 175.26 176.67 2hwt n LYS 68 N 5.36 2.75 0.00 1.61 -0.00 -1.26 -2.86 118.16 123.75 2hwt n LYS 68 Ca -0.05 -2.83 0.12 0.00 -0.00 0.00 0.00 58.31 55.56 2hwt n LYS 68 Cb 0.50 -1.82 0.69 0.00 -0.00 0.00 0.00 35.03 34.40 2hwt n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2hwt n ARG 69 N -0.61 0.61 -3.06 -1.58 0.63 -1.26 -4.88 116.66 106.51 2hwt n ARG 69 Ca 0.21 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 57.03 2hwt n ARG 69 Cb 0.87 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 32.33 2hwt n ARG 69 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2hwt n ARG 70 N -1.12 -4.52 0.00 -0.14 1.74 -1.26 -4.90 116.66 106.46 2hwt n ARG 70 Ca 0.16 0.50 0.12 0.00 -0.77 0.00 0.00 57.85 57.86 2hwt n ARG 70 Cb 0.13 -4.52 0.66 0.00 -1.02 0.00 0.00 32.46 27.71 2hwt n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hwt n GLY 71 N -1.30 -0.98 1.18 -0.13 0.00 -1.26 -3.37 105.19 99.32 2hwt n GLY 71 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2hwt n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hwt n THR 72 N -1.18 0.00 -1.53 2.61 -2.24 -1.26 -5.00 114.28 105.68 2hwt n THR 72 Ca 0.14 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 2hwt n THR 72 Cb 0.15 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 2hwt n THR 72 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2hwt n GLN 73 N 0.27 0.85 0.00 -0.78 -0.06 -1.22 -0.09 117.38 116.35 2hwt n GLN 73 Ca -0.05 0.06 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2hwt n GLN 73 Cb 0.93 -2.88 0.00 0.00 -4.06 0.00 0.00 30.24 24.23 2hwt n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2hwt n GLY 74 N 6.17 3.29 0.10 1.69 0.00 -1.26 -4.84 105.19 110.34 2hwt n GLY 74 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 2hwt n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hwt h GLU 75 N 2.19 0.00 0.00 1.61 4.81 -0.89 -3.09 114.58 119.22 2hwt h GLU 75 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hwt h GLU 75 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2hwt h GLU 75 CO 0.00 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 179.03 2hwt n ALA 76 N -2.31 2.14 0.48 2.92 0.00 -0.85 -1.78 120.51 121.12 2hwt n ALA 76 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2hwt n ALA 76 Cb 0.81 -1.37 0.32 0.00 0.00 0.00 0.00 19.45 19.21 2hwt n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hwt h ARG 77 N 0.00 0.00 0.00 0.00 -0.00 -1.82 -3.03 114.38 109.53 2hwt h ARG 77 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 2hwt h ARG 77 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.20 2hwt h ARG 77 CO 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 179.97 179.15 2hwt n ALA 78 N -1.90 2.87 -0.00 0.04 0.00 -1.08 -4.86 120.51 115.59 2hwt n ALA 78 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2hwt n ALA 78 Cb 0.47 0.41 -0.09 0.00 0.00 0.00 0.00 19.45 20.24 2hwt n ALA 78 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2hwt h TYR 79 N -0.07 -0.10 0.00 0.00 3.20 -1.55 -3.46 116.97 115.00 2hwt h TYR 79 Ca -0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2hwt h TYR 79 Cb 0.77 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.07 2hwt h TYR 79 CO -0.01 0.46 0.00 0.43 -1.64 0.00 0.00 178.16 177.40 2hwt n SER 80 N -4.81 0.00 -4.36 -2.11 7.64 -1.14 -4.62 113.62 104.22 2hwt n SER 80 Ca -0.08 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.53 2hwt n SER 80 Cb 0.30 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 2hwt n SER 80 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2hwt s MET 81 N 0.00 1.97 -0.29 1.43 1.00 -1.26 -4.92 119.30 117.23 2hwt s MET 81 Ca 0.00 -2.20 -0.23 0.00 0.00 0.00 0.00 55.69 53.26 2hwt s MET 81 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 34.83 33.89 2hwt s MET 81 CO 0.00 -0.39 0.74 0.21 0.00 0.00 0.00 175.02 175.58 2hwt s LYS 82 N -3.78 4.02 0.33 2.03 2.20 -1.26 -4.93 119.74 118.34 2hwt s LYS 82 Ca 0.21 0.60 0.04 0.00 -0.36 0.00 0.00 55.97 56.46 2hwt s LYS 82 Cb 0.03 -3.70 0.58 0.00 -1.51 0.00 0.00 37.83 33.23 2hwt s LYS 82 CO 0.12 -0.59 1.87 0.93 -0.36 0.00 0.00 175.35 177.31 2hwt h GLU 83 N 8.02 0.54 -0.74 4.03 5.08 -1.93 0.33 114.58 129.91 2hwt h GLU 83 Ca -0.25 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2hwt h GLU 83 Cb 1.10 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2hwt h GLU 83 CO 0.85 0.57 0.48 -0.44 -1.00 0.00 0.00 179.01 179.48 2hwt h ASP 84 N 0.52 0.68 -0.32 1.42 5.19 -2.04 -1.80 116.42 120.07 2hwt h ASP 84 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2hwt h ASP 84 Cb 0.34 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2hwt h ASP 84 CO 0.01 0.44 0.00 0.35 -3.12 0.00 0.00 179.24 176.92 2hwt n THR 85 N -4.48 0.85 -2.16 0.35 -2.24 -0.93 -4.99 114.28 100.69 2hwt n THR 85 Ca 0.11 -0.93 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 2hwt n THR 85 Cb 0.23 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2hwt n THR 85 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2hwt s ARG 86 N -1.00 4.21 -0.20 -0.78 3.52 0.11 -2.27 118.95 122.55 2hwt s ARG 86 Ca 0.23 2.00 -0.15 0.00 -0.13 0.00 0.00 55.73 57.68 2hwt s ARG 86 Cb 0.13 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.56 2hwt s ARG 86 CO 0.17 -0.77 -0.21 1.28 -0.81 0.00 0.00 175.30 174.96 2hwt n LEU 87 N 6.74 1.90 -4.41 -0.88 4.77 0.84 -4.90 117.00 121.05 2hwt n LEU 87 Ca 0.16 0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 56.35 2hwt n LEU 87 Cb 0.43 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 2hwt n LEU 87 CO 0.60 -0.02 -0.22 -0.70 -1.33 0.00 0.00 177.39 175.72 2hwt s GLU 88 N -2.54 1.69 0.41 3.23 2.12 0.92 -4.97 118.70 119.56 2hwt s GLU 88 Ca -0.28 -1.98 0.00 0.00 0.36 0.00 0.00 54.97 53.07 2hwt s GLU 88 Cb 0.06 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.03 2hwt s GLU 88 CO 0.42 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2hwt n GLY 89 N -0.69 -1.83 3.67 -1.50 0.00 -1.26 -2.69 105.19 100.88 2hwt n GLY 89 Ca -0.02 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 2hwt n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hwt s PRO 90 N 0.00 0.29 0.01 1.61 0.04 -1.26 -5.02 135.00 130.67 2hwt s PRO 90 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2hwt s PRO 90 Cb 0.00 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2hwt s PRO 90 CO 0.00 -2.82 -0.02 -1.58 0.04 0.00 0.00 177.00 172.62 2hwt s TRP 91 N -2.97 0.18 -0.02 0.56 0.51 -1.20 -5.03 118.94 110.98 2hwt s TRP 91 Ca 0.66 -0.35 0.03 0.00 -2.12 0.00 0.00 56.10 54.32 2hwt s TRP 91 Cb -0.19 -0.13 -0.00 0.00 -0.81 0.00 0.00 33.47 32.34 2hwt s TRP 91 CO 0.58 -0.13 -0.12 -1.21 -0.51 0.00 0.00 176.95 175.56 2hwt s GLU 92 N -0.98 1.16 0.06 4.98 2.02 -1.26 -3.26 118.70 121.42 2hwt s GLU 92 Ca -0.11 -0.43 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 2hwt s GLU 92 Cb -0.07 -1.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.05 2hwt s GLU 92 CO -0.01 0.21 0.02 0.71 0.02 0.00 0.00 175.26 176.21 2hwt s TYR 93 N -0.05 0.43 0.00 1.61 2.02 0.76 -5.02 117.35 117.10 2hwt s TYR 93 Ca 0.00 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2hwt s TYR 93 Cb -0.08 -0.31 0.00 0.00 -0.40 0.00 0.00 41.96 41.17 2hwt s TYR 93 CO 0.00 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 2hwt n GLY 94 N 0.10 -0.39 0.00 0.71 0.00 -1.26 -0.85 105.19 103.50 2hwt n GLY 94 Ca -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2hwt n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11