#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 1.68 -4.28 0.00 1.85 -1.26 -5.09 116.66 109.56 2hwt n ARG 3 Ca 0.00 -3.49 -0.28 0.00 -1.00 0.00 0.00 57.85 53.07 2hwt n ARG 3 Cb 0.00 -1.53 -0.10 0.00 -1.05 0.00 0.00 32.46 29.78 2hwt n ARG 3 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2hwt s GLN 4 N -3.49 1.98 0.18 2.89 -2.07 -1.26 -5.14 119.66 112.75 2hwt s GLN 4 Ca 0.30 -1.18 0.07 0.00 -1.82 0.00 0.00 55.36 52.72 2hwt s GLN 4 Cb 0.39 -2.18 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 2hwt s GLN 4 CO -0.01 0.47 -0.15 0.14 -1.32 0.00 0.00 175.29 174.42 2hwt s VAL 5 N -1.41 1.65 0.30 3.63 -7.23 -1.26 -5.13 120.40 110.95 2hwt s VAL 5 Ca 0.22 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 2hwt s VAL 5 Cb -0.10 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 2hwt s VAL 5 CO 0.13 -0.53 0.69 -0.63 -0.31 0.00 0.00 175.10 174.46 2hwt s ILE 6 N -2.70 4.74 0.58 -0.62 1.09 -1.26 -5.06 121.20 117.97 2hwt s ILE 6 Ca 0.19 0.82 -0.15 0.00 -1.10 0.00 0.00 60.65 60.42 2hwt s ILE 6 Cb -0.02 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.72 2hwt s ILE 6 CO 0.06 -0.17 1.02 0.00 -0.10 0.00 0.00 174.94 175.75 2hwt s TRP 8 N -2.74 3.16 -0.26 0.00 0.52 0.95 -4.77 118.94 115.80 2hwt s TRP 8 Ca 0.59 -0.80 -0.14 0.00 0.02 0.00 0.00 56.10 55.77 2hwt s TRP 8 Cb -0.12 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 2hwt s TRP 8 CO 0.40 -0.53 0.34 0.00 0.02 0.00 0.00 176.95 177.19 2hwt s PHE 10 N 1.88 0.91 -0.09 0.00 -0.71 -1.20 -1.28 117.98 117.48 2hwt s PHE 10 Ca 0.14 -1.15 0.00 0.00 -1.04 0.00 0.00 56.93 54.88 2hwt s PHE 10 Cb -0.16 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.15 2hwt s PHE 10 CO 0.09 -0.41 -0.08 0.99 -1.34 0.00 0.00 175.22 174.47 2hwt s THR 11 N -3.92 1.00 -0.20 -4.49 2.01 -0.06 -3.74 115.64 106.25 2hwt s THR 11 Ca 0.22 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 2hwt s THR 11 Cb 0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2hwt s THR 11 CO 0.01 0.35 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.06 2hwt s LEU 12 N 1.35 3.23 -0.13 4.42 2.96 0.03 -2.93 118.68 127.61 2hwt s LEU 12 Ca -0.02 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2hwt s LEU 12 Cb -0.14 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2hwt s LEU 12 CO -0.04 0.07 -0.01 0.20 -1.32 0.00 0.00 176.35 175.24 2hwt s ASN 13 N 0.99 5.05 -1.00 3.68 0.01 -1.26 0.11 114.94 122.52 2hwt s ASN 13 Ca 0.01 0.00 -0.13 0.00 -0.71 0.00 0.00 52.86 52.03 2hwt s ASN 13 Cb -0.14 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 2hwt s ASN 13 CO 0.02 0.25 0.74 -3.20 -1.51 0.00 0.00 177.10 173.41 2hwt n ASN 14 N 2.97 -5.73 -4.77 -1.22 2.85 -1.08 -4.93 115.26 103.35 2hwt n ASN 14 Ca -0.18 -0.83 -0.33 0.00 -0.11 0.00 0.00 54.58 53.14 2hwt n ASN 14 Cb 0.53 -3.43 0.06 0.00 1.24 0.00 0.00 39.78 38.17 2hwt n ASN 14 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2hwt s PRO 15 N -5.22 2.69 0.00 1.20 0.04 -1.26 -4.97 135.00 127.49 2hwt s PRO 15 Ca 0.30 1.34 0.21 0.00 0.04 0.00 0.00 61.00 62.90 2hwt s PRO 15 Cb -0.11 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2hwt s PRO 15 CO 0.85 -1.33 1.08 1.28 0.04 0.00 0.00 177.00 178.92 2hwt n LEU 16 N -2.64 2.18 -3.64 -3.56 4.77 -1.26 -5.01 117.00 107.84 2hwt n LEU 16 Ca 0.10 -0.82 -0.02 0.00 -0.03 0.00 0.00 56.01 55.24 2hwt n LEU 16 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2hwt n LEU 16 CO 0.49 0.39 1.19 -0.55 -1.33 0.00 0.00 177.39 177.59 2hwt s SER 17 N -2.23 -0.01 0.67 -1.43 0.15 -1.26 -5.17 113.70 104.42 2hwt s SER 17 Ca 0.19 -0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.70 2hwt s SER 17 Cb 0.17 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2hwt s SER 17 CO 0.47 -0.01 1.11 -2.16 1.20 0.00 0.00 173.24 173.85 2hwt s PRO 18 N -2.02 2.77 0.92 5.44 0.04 -1.26 -5.03 135.00 135.87 2hwt s PRO 18 Ca 0.12 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2hwt s PRO 18 Cb -0.00 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.74 2hwt s PRO 18 CO -0.03 -1.27 1.09 -0.51 0.04 0.00 0.00 177.00 176.33 2hwt s LEU 19 N -4.94 2.09 0.05 -3.56 1.43 -1.26 -5.08 118.68 107.41 2hwt s LEU 19 Ca 0.66 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 2hwt s LEU 19 Cb -0.20 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.25 2hwt s LEU 19 CO 0.42 -2.78 0.25 -0.94 0.23 0.00 0.00 176.35 173.54 2hwt s SER 20 N -3.41 -0.05 0.68 2.29 1.04 -1.26 -5.15 113.70 107.84 2hwt s SER 20 Ca 0.64 -0.30 -0.17 0.00 0.48 0.00 0.00 55.95 56.60 2hwt s SER 20 Cb -0.18 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2hwt s SER 20 CO 0.57 -0.61 1.23 -0.11 0.98 0.00 0.00 173.24 175.30 2hwt n LEU 21 N 0.55 5.42 -4.25 2.42 7.94 -1.26 -5.02 117.00 122.80 2hwt n LEU 21 Ca -0.18 0.78 -0.32 0.00 -1.11 0.00 0.00 56.01 55.17 2hwt n LEU 21 Cb 0.60 -1.52 -0.17 0.00 0.53 0.00 0.00 43.42 42.86 2hwt n LEU 21 CO 0.21 -1.26 -0.55 -2.28 -1.11 0.00 0.00 177.39 172.41 2hwt s HIS 22 N -1.54 2.57 0.62 1.96 5.65 -1.26 -5.00 115.29 118.30 2hwt s HIS 22 Ca 0.80 -0.94 0.33 0.00 0.25 0.00 0.00 55.06 55.51 2hwt s HIS 22 Cb -0.37 -1.71 1.87 0.00 -1.18 0.00 0.00 32.58 31.19 2hwt s HIS 22 CO 0.43 -0.35 2.16 -0.44 -0.65 0.00 0.00 174.74 175.88 2hwt h ASP 23 N 6.59 0.00 0.17 9.88 5.19 -2.01 -1.48 116.42 134.75 2hwt h ASP 23 Ca -0.22 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.85 2hwt h ASP 23 Cb 1.23 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.74 2hwt h ASP 23 CO 0.48 0.00 -1.69 0.28 -3.12 0.00 0.00 179.24 175.19 2hwt h SER 24 N 0.00 0.57 -2.78 6.45 0.02 -2.00 -3.47 113.55 112.34 2hwt h SER 24 Ca 0.04 -0.93 -0.25 0.00 -0.84 0.00 0.00 61.79 59.81 2hwt h SER 24 Cb 0.35 -0.19 0.12 0.00 0.14 0.00 0.00 62.40 62.82 2hwt h SER 24 CO -0.00 1.76 0.12 1.15 -1.14 0.00 0.00 176.83 178.72 2hwt n MET 25 N -3.66 -1.93 0.00 3.45 0.00 -0.56 -2.04 117.12 112.39 2hwt n MET 25 Ca -0.25 -1.13 0.00 0.00 0.00 0.00 0.00 57.70 56.32 2hwt n MET 25 Cb 1.04 -0.97 0.00 0.00 0.00 0.00 0.00 33.22 33.29 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 -3.35 0.48 -3.97 3.17 5.02 -0.86 -4.59 118.16 114.05 2hwt n LYS 26 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 2hwt n LYS 26 Cb 0.36 -0.91 -0.12 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.82 0.26 -0.11 2.13 5.04 -1.23 -2.72 117.35 118.89 2hwt s TYR 27 Ca 0.00 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 2hwt s TYR 27 Cb 0.00 -0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.14 2hwt s TYR 27 CO 0.00 -0.13 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.73 2hwt s LEU 28 N -1.14 1.85 -0.04 6.97 2.96 0.03 -3.34 118.68 125.97 2hwt s LEU 28 Ca -0.12 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2hwt s LEU 28 Cb -0.08 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.46 2hwt s LEU 28 CO -0.01 0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.44 2hwt s VAL 29 N 0.80 -0.04 0.17 1.68 1.01 -1.11 -0.34 120.40 122.58 2hwt s VAL 29 Ca -0.10 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2hwt s VAL 29 Cb -0.16 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2hwt s VAL 29 CO 0.01 0.18 0.44 -0.72 0.00 0.00 0.00 175.10 175.01 2hwt s TYR 30 N 1.97 -0.05 0.07 5.22 -0.85 -1.02 -1.74 117.35 120.96 2hwt s TYR 30 Ca 0.03 -0.29 -0.14 0.00 -0.52 0.00 0.00 57.07 56.14 2hwt s TYR 30 Cb -0.12 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.51 2hwt s TYR 30 CO -0.03 -0.81 0.33 1.14 -1.52 0.00 0.00 175.55 174.65 2hwt s GLN 31 N -3.87 0.90 -0.05 -3.49 -2.07 0.90 -1.97 119.66 110.02 2hwt s GLN 31 Ca 0.09 -0.61 -0.15 0.00 -1.82 0.00 0.00 55.36 52.87 2hwt s GLN 31 Cb 0.01 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 2hwt s GLN 31 CO -0.05 -0.31 0.39 0.99 -1.32 0.00 0.00 175.29 174.99 2hwt s THR 32 N -3.08 5.12 0.15 3.63 2.01 -1.16 -0.95 115.64 121.35 2hwt s THR 32 Ca -0.01 0.79 0.07 0.00 0.31 0.00 0.00 61.69 62.85 2hwt s THR 32 Cb 0.01 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2hwt s THR 32 CO -0.07 0.51 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.60 2hwt s GLU 33 N -0.58 1.19 -0.07 4.92 2.02 -0.19 -0.09 118.70 125.90 2hwt s GLU 33 Ca 0.23 -1.37 -0.13 0.00 0.02 0.00 0.00 54.97 53.72 2hwt s GLU 33 Cb -0.16 -1.14 -0.05 0.00 0.10 0.00 0.00 34.13 32.88 2hwt s GLU 33 CO 0.11 0.22 0.33 -1.14 0.02 0.00 0.00 175.26 174.80 2hwt s GLN 34 N -2.87 3.92 0.00 1.61 -0.44 -0.52 -2.62 119.66 118.74 2hwt s GLN 34 Ca 0.14 0.22 0.00 0.00 -2.50 0.00 0.00 55.36 53.22 2hwt s GLN 34 Cb -0.05 -3.28 0.00 0.00 -1.64 0.00 0.00 33.01 28.05 2hwt s GLN 34 CO 0.05 0.57 0.00 0.41 0.50 0.00 0.00 175.29 176.82 2hwt n GLY 35 N 2.32 -1.39 7.00 2.59 0.00 -1.26 -4.85 105.19 109.60 2hwt n GLY 35 Ca -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2hwt n GLY 35 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hwt n GLU 36 N -0.05 0.00 0.00 1.61 0.28 -1.26 -4.61 120.64 116.61 2hwt n GLU 36 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2hwt n GLU 36 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2hwt n GLU 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hwt n ALA 37 N 1.42 0.00 0.12 -1.84 0.00 -1.26 -4.73 120.51 114.22 2hwt n ALA 37 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2hwt n ALA 37 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.82 0.00 -0.95 0.00 0.00 -2.07 -3.41 103.07 95.82 2hwt h GLY 38 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2hwt h GLY 38 CO 0.00 0.00 0.30 -1.31 0.00 0.00 0.00 176.54 175.53 2hwt s ASN 39 N -4.77 3.92 0.39 0.19 0.01 -1.26 -5.02 114.94 108.40 2hwt s ASN 39 Ca -0.04 1.22 0.08 0.00 -0.71 0.00 0.00 52.86 53.41 2hwt s ASN 39 Cb 0.13 -1.89 -0.06 0.00 0.41 0.00 0.00 41.25 39.84 2hwt s ASN 39 CO 0.45 -2.32 0.08 0.27 -1.51 0.00 0.00 177.10 174.07 2hwt s ILE 40 N -3.15 2.33 0.15 0.60 -4.36 -1.26 -4.45 121.20 111.06 2hwt s ILE 40 Ca 0.62 -1.87 0.09 0.00 -0.26 0.00 0.00 60.65 59.23 2hwt s ILE 40 Cb -0.15 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.59 2hwt s ILE 40 CO 0.55 -0.07 -0.20 -1.38 0.24 0.00 0.00 174.94 174.08 2hwt s HIS 41 N -2.60 1.86 -0.05 1.37 -3.43 -1.08 -2.64 115.29 108.73 2hwt s HIS 41 Ca 0.37 -0.44 -0.02 0.00 -0.80 0.00 0.00 55.06 54.17 2hwt s HIS 41 Cb 0.04 -0.96 -0.04 0.00 -1.43 0.00 0.00 32.58 30.20 2hwt s HIS 41 CO 0.20 0.31 0.07 -0.06 -2.00 0.00 0.00 174.74 173.26 2hwt s PHE 42 N -1.72 3.30 -0.05 0.38 0.40 0.12 -1.02 117.98 119.40 2hwt s PHE 42 Ca 0.13 0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 56.64 2hwt s PHE 42 Cb -0.07 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.68 2hwt s PHE 42 CO 0.06 0.56 0.20 -0.65 0.70 0.00 0.00 175.22 176.09 2hwt s GLN 43 N -1.34 0.37 0.00 0.44 -0.21 -0.13 -0.79 119.66 117.99 2hwt s GLN 43 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2hwt s GLN 43 Cb -0.12 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.06 2hwt s GLN 43 CO 0.08 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 2hwt n GLY 44 N 2.30 -1.30 3.26 3.09 0.00 -1.25 -0.07 105.19 111.23 2hwt n GLY 44 Ca -0.17 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.00 1.96 -0.06 1.61 -0.85 -0.71 -3.26 117.35 113.04 2hwt s TYR 45 Ca 0.00 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.18 2hwt s TYR 45 Cb 0.00 -1.21 0.02 0.00 0.38 0.00 0.00 41.96 41.14 2hwt s TYR 45 CO 0.00 0.04 -0.08 0.42 -1.52 0.00 0.00 175.55 174.41 2hwt s ILE 46 N -0.66 0.82 -0.26 -3.49 1.01 -0.08 -2.75 121.20 115.80 2hwt s ILE 46 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 2hwt s ILE 46 Cb -0.09 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2hwt s ILE 46 CO 0.01 0.30 0.12 -1.61 0.00 0.00 0.00 174.94 173.76 2hwt s GLU 47 N 1.01 3.77 0.95 2.79 2.02 -1.21 -0.04 118.70 128.00 2hwt s GLU 47 Ca -0.09 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.32 2hwt s GLU 47 Cb -0.14 -3.47 0.22 0.00 0.10 0.00 0.00 34.13 30.83 2hwt s GLU 47 CO -0.00 -0.19 1.30 -1.33 0.02 0.00 0.00 175.26 175.05 2hwt n MET 48 N 4.98 -1.25 0.19 1.61 2.81 -1.26 -2.03 117.12 122.17 2hwt n MET 48 Ca -0.15 -2.02 -0.17 0.00 -1.81 0.00 0.00 57.70 53.55 2hwt n MET 48 Cb 0.52 -1.33 -0.09 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.81 0.00 0.03 3.64 -1.66 -3.39 116.57 114.39 2hwt h LYS 49 Ca -0.42 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2hwt h LYS 49 Cb 1.16 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2hwt h LYS 49 CO 0.30 -0.54 0.00 1.63 -2.27 0.00 0.00 179.45 178.57 2hwt n LYS 50 N -5.51 0.00 -1.30 1.90 5.02 -1.26 -4.95 118.16 112.06 2hwt n LYS 50 Ca -0.10 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.96 2hwt n LYS 50 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.39 2hwt n LYS 50 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hwt n ARG 51 N 0.00 2.22 -3.81 1.97 3.00 -1.26 -4.87 116.66 113.90 2hwt n ARG 51 Ca 0.00 -2.04 -0.36 0.00 -0.00 0.00 0.00 57.85 55.45 2hwt n ARG 51 Cb 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 32.46 30.33 2hwt n ARG 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2hwt s THR 52 N -2.00 3.75 1.07 5.15 2.01 -1.26 -5.10 115.64 119.27 2hwt s THR 52 Ca 0.52 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 2hwt s THR 52 Cb 0.34 -2.90 0.25 0.00 0.01 0.00 0.00 72.50 70.21 2hwt s THR 52 CO -0.15 0.15 1.28 -1.54 -0.69 0.00 0.00 174.62 173.67 2hwt n SER 53 N 4.83 -0.59 -0.12 3.53 3.41 -1.26 -4.82 113.62 118.59 2hwt n SER 53 Ca -0.15 -1.39 0.26 0.00 -0.26 0.00 0.00 58.87 57.32 2hwt n SER 53 Cb 0.48 -1.03 0.71 0.00 -0.26 0.00 0.00 64.21 64.11 2hwt n SER 53 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2hwt h LEU 54 N 0.00 0.01 -1.82 1.04 5.85 -2.00 0.15 115.31 118.54 2hwt h LEU 54 Ca -0.43 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.44 2hwt h LEU 54 Cb 1.23 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2hwt h LEU 54 CO 0.30 0.00 0.43 0.00 -0.34 0.00 0.00 178.44 178.83 2hwt h ALA 55 N 1.61 2.33 -0.11 1.25 0.00 -1.98 0.33 119.26 122.69 2hwt h ALA 55 Ca 0.37 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2hwt h ALA 55 Cb 1.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2hwt h ALA 55 CO -0.01 -0.49 -0.16 0.78 0.00 0.00 0.00 179.25 179.37 2hwt h GLY 56 N 0.18 0.33 0.71 0.00 0.00 -1.00 -2.72 103.07 100.56 2hwt h GLY 56 Ca 0.29 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 2hwt h GLY 56 CO -0.05 0.33 -0.31 -0.33 0.00 0.00 0.00 176.54 176.18 2hwt h MET 57 N -0.12 0.36 -0.74 4.80 2.07 -1.42 -3.17 114.93 116.70 2hwt h MET 57 Ca 0.01 -0.27 0.16 0.00 -2.07 0.00 0.00 59.70 57.54 2hwt h MET 57 Cb 0.71 0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 30.44 2hwt h MET 57 CO 0.04 0.90 0.50 -0.22 1.07 0.00 0.00 176.91 179.20 2hwt h LYS 58 N -0.11 0.30 -0.85 1.72 3.64 -0.48 0.46 116.57 121.25 2hwt h LYS 58 Ca -0.01 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2hwt h LYS 58 Cb 0.94 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.63 2hwt h LYS 58 CO 0.06 0.20 0.56 0.87 -2.27 0.00 0.00 179.45 178.87 2hwt h LYS 59 N 0.31 0.89 0.17 1.90 1.57 -1.45 -2.23 116.57 117.74 2hwt h LYS 59 Ca 0.36 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.78 2hwt h LYS 59 Cb 0.97 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2hwt h LYS 59 CO -0.10 0.59 -1.47 -0.07 -0.57 0.00 0.00 179.45 177.83 2hwt h LEU 60 N 0.92 0.58 -7.13 2.94 4.07 -1.05 -3.39 115.31 112.25 2hwt h LEU 60 Ca 0.38 -0.69 -0.68 0.00 0.08 0.00 0.00 57.88 56.96 2hwt h LEU 60 Cb 0.27 -0.19 -0.37 0.00 1.08 0.00 0.00 40.66 41.46 2hwt h LEU 60 CO -0.14 1.55 -0.18 -0.38 -1.08 0.00 0.00 178.44 178.21 2hwt n ILE 61 N -3.58 2.85 -2.04 1.22 2.08 -0.67 -5.04 119.36 114.19 2hwt n ILE 61 Ca -0.15 -5.14 -0.38 0.00 0.56 0.00 0.00 62.75 57.64 2hwt n ILE 61 Cb 1.06 -2.30 -0.03 0.00 -0.75 0.00 0.00 39.64 37.63 2hwt n ILE 61 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2hwt s PRO 62 N -1.61 2.62 0.00 0.38 0.04 -0.98 -3.54 135.00 131.91 2hwt s PRO 62 Ca 0.29 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2hwt s PRO 62 Cb -0.03 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2hwt s PRO 62 CO -0.11 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2hwt n GLY 63 N 5.72 0.85 3.24 0.56 0.00 -1.26 -5.14 105.19 109.16 2hwt n GLY 63 Ca 0.21 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.90 0.32 -0.40 4.61 0.00 -1.23 -4.86 121.76 118.29 2hwt s ALA 64 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 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 -0.56 0.50 -1.58 0.00 0.00 0.00 175.76 174.12 2hwt s HIS 65 N -3.98 3.15 0.23 0.00 2.46 -1.15 -4.97 115.29 111.03 2hwt s HIS 65 Ca 0.18 -0.13 0.08 0.00 0.47 0.00 0.00 55.06 55.66 2hwt s HIS 65 Cb 0.05 -3.00 -0.04 0.00 -0.13 0.00 0.00 32.58 29.46 2hwt s HIS 65 CO -0.01 -0.68 0.04 -0.06 -2.47 0.00 0.00 174.74 171.56 2hwt s PHE 66 N 2.36 2.83 -0.23 3.88 0.40 -1.26 -0.88 117.98 125.08 2hwt s PHE 66 Ca 0.16 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.29 2hwt s PHE 66 Cb -0.16 -1.29 0.12 0.00 0.51 0.00 0.00 43.02 42.20 2hwt s PHE 66 CO 0.15 0.57 0.35 -1.21 0.70 0.00 0.00 175.22 175.78 2hwt s GLU 67 N -3.49 0.31 -0.18 0.44 2.02 -0.40 -4.97 118.70 112.44 2hwt s GLU 67 Ca 0.30 0.55 0.16 0.00 0.02 0.00 0.00 54.97 56.00 2hwt s GLU 67 Cb -0.08 -0.47 0.72 0.00 0.10 0.00 0.00 34.13 34.40 2hwt s GLU 67 CO 0.21 -0.58 1.64 1.17 0.02 0.00 0.00 175.26 177.71 2hwt n LYS 68 N 5.36 4.10 0.00 1.61 4.81 -1.26 -3.22 118.16 129.56 2hwt n LYS 68 Ca -0.05 -2.98 0.10 0.00 -0.87 0.00 0.00 58.31 54.51 2hwt n LYS 68 Cb 0.50 -2.03 0.52 0.00 0.02 0.00 0.00 35.03 34.03 2hwt n LYS 68 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2hwt n ARG 69 N 0.59 0.35 -2.98 1.64 0.63 -1.26 -4.87 116.66 110.75 2hwt n ARG 69 Ca 0.25 0.08 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2hwt n ARG 69 Cb 1.02 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 32.48 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 -1.23 -4.34 0.00 -0.14 1.74 -1.26 -4.90 116.66 106.52 2hwt n ARG 70 Ca 0.10 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 57.81 2hwt n ARG 70 Cb 0.14 -4.55 0.64 0.00 -1.02 0.00 0.00 32.46 27.67 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 -1.21 -0.94 1.05 -0.13 0.00 -1.26 -3.37 105.19 99.33 2hwt n GLY 71 Ca -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 2hwt n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hwt n THR 72 N -1.17 0.00 -1.54 2.61 5.66 -1.26 -4.99 114.28 113.59 2hwt n THR 72 Ca 0.14 -0.39 -0.35 0.00 -3.05 0.00 0.00 64.05 60.40 2hwt n THR 72 Cb 0.14 0.63 -0.05 0.00 -1.55 0.00 0.00 70.33 69.50 2hwt n THR 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hwt n GLN 73 N 0.19 0.86 0.00 1.09 10.64 -1.22 -0.91 117.38 128.03 2hwt n GLN 73 Ca -0.07 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 2hwt n GLN 73 Cb 0.85 -3.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 2hwt n GLN 73 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2hwt n GLY 74 N 6.12 3.20 0.11 2.61 0.00 -1.26 -4.83 105.19 111.14 2hwt n GLY 74 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 2hwt n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hwt h GLU 75 N 1.77 0.00 0.00 1.61 5.08 -1.41 -3.10 114.58 118.53 2hwt h GLU 75 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hwt h GLU 75 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hwt h GLU 75 CO 0.00 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 2hwt n ALA 76 N -2.31 1.79 0.39 3.43 0.00 -0.76 -1.82 120.51 121.24 2hwt n ALA 76 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2hwt n ALA 76 Cb 0.79 -1.27 0.41 0.00 0.00 0.00 0.00 19.45 19.39 2hwt n ALA 76 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2hwt h ARG 77 N 0.00 0.00 0.00 0.00 9.65 -1.82 -2.89 114.38 119.32 2hwt h ARG 77 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2hwt h ARG 77 Cb 0.25 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2hwt h ARG 77 CO 0.00 0.00 -0.27 0.00 2.80 0.00 0.00 179.97 182.50 2hwt n ALA 78 N -1.94 2.91 -0.03 2.80 0.00 -0.98 -4.85 120.51 118.42 2hwt n ALA 78 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2hwt n ALA 78 Cb 0.39 0.29 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.04 0.17 0.00 0.00 3.20 -1.55 -3.46 116.97 115.28 2hwt h TYR 79 Ca -0.01 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2hwt h TYR 79 Cb 0.26 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2hwt h TYR 79 CO -0.02 0.69 0.00 0.43 -1.64 0.00 0.00 178.16 177.63 2hwt n SER 80 N -4.68 0.00 -4.11 -2.11 7.64 -1.09 -4.62 113.62 104.65 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 0.35 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 2hwt n SER 80 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2hwt n MET 81 N 0.00 0.79 -3.11 1.43 0.00 -1.26 -4.88 117.12 110.10 2hwt n MET 81 Ca 0.00 -3.24 -0.40 0.00 0.00 0.00 0.00 57.70 54.06 2hwt n MET 81 Cb 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 33.22 34.36 2hwt n MET 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2hwt s LYS 82 N -3.55 4.24 0.35 0.03 3.01 -1.26 -4.95 119.74 117.61 2hwt s LYS 82 Ca 0.07 0.66 0.06 0.00 -1.01 0.00 0.00 55.97 55.75 2hwt s LYS 82 Cb 0.00 -3.56 0.65 0.00 -1.01 0.00 0.00 37.83 33.91 2hwt s LYS 82 CO 0.05 -0.20 1.89 0.93 0.51 0.00 0.00 175.35 178.53 2hwt h GLU 83 N 7.37 0.46 -0.74 1.68 5.08 -1.93 0.31 114.58 126.81 2hwt h GLU 83 Ca -0.33 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2hwt h GLU 83 Cb 1.15 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2hwt h GLU 83 CO 0.78 0.51 0.49 -0.44 -1.00 0.00 0.00 179.01 179.34 2hwt h ASP 84 N 0.44 0.68 -0.31 1.42 5.19 -2.03 -1.83 116.42 119.99 2hwt h ASP 84 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2hwt h ASP 84 Cb 0.33 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.70 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 0.86 -2.28 0.35 -2.24 -0.92 -4.98 114.28 100.58 2hwt n THR 85 Ca 0.11 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 2hwt n THR 85 Cb 0.23 0.60 -0.02 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 -0.99 4.22 -0.09 -0.78 3.52 0.11 -1.44 118.95 123.49 2hwt s ARG 86 Ca 0.22 1.85 -0.12 0.00 -0.13 0.00 0.00 55.73 57.56 2hwt s ARG 86 Cb 0.12 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 2hwt s ARG 86 CO 0.16 -0.74 -0.23 -0.11 -0.81 0.00 0.00 175.30 173.57 2hwt n LEU 87 N 6.70 1.51 -4.55 -0.88 0.00 -0.42 -4.81 117.00 114.55 2hwt n LEU 87 Ca 0.15 0.25 -0.26 0.00 0.00 0.00 0.00 56.01 56.14 2hwt n LEU 87 Cb 0.44 -0.60 -0.09 0.00 0.00 0.00 0.00 43.42 43.17 2hwt n LEU 87 CO 0.58 -0.41 -0.24 -0.70 0.00 0.00 0.00 177.39 176.62 2hwt s GLU 88 N -2.46 1.90 0.43 1.96 2.12 0.88 -4.99 118.70 118.53 2hwt s GLU 88 Ca -0.19 -2.13 0.00 0.00 0.36 0.00 0.00 54.97 53.01 2hwt s GLU 88 Cb 0.03 -0.96 0.00 0.00 0.26 0.00 0.00 34.13 33.46 2hwt s GLU 88 CO 0.28 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 2hwt n GLY 89 N -0.91 -1.85 3.61 -1.50 0.00 -1.26 -3.00 105.19 100.28 2hwt n GLY 89 Ca -0.07 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.88 -0.06 1.61 0.04 -1.26 -5.03 135.00 129.42 2hwt s PRO 90 Ca 0.00 0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.07 2hwt s PRO 90 Cb 0.00 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 32.95 2hwt s PRO 90 CO 0.00 -3.51 0.13 -1.58 0.04 0.00 0.00 177.00 172.08 2hwt s TRP 91 N -3.00 -0.13 -0.06 0.56 0.51 -0.83 -5.00 118.94 111.00 2hwt s TRP 91 Ca 0.70 0.40 0.05 0.00 -2.12 0.00 0.00 56.10 55.13 2hwt s TRP 91 Cb -0.12 -0.07 -0.02 0.00 -0.81 0.00 0.00 33.47 32.46 2hwt s TRP 91 CO 0.56 -0.13 -0.22 -1.21 -0.51 0.00 0.00 176.95 175.44 2hwt s GLU 92 N 0.88 2.53 0.08 4.98 8.01 -1.26 -2.43 118.70 131.50 2hwt s GLU 92 Ca -0.07 -0.85 -0.04 0.00 0.01 0.00 0.00 54.97 54.03 2hwt s GLU 92 Cb -0.09 -2.23 -0.03 0.00 -4.31 0.00 0.00 34.13 27.48 2hwt s GLU 92 CO -0.04 0.45 0.07 0.71 0.01 0.00 0.00 175.26 176.46 2hwt s TYR 93 N -0.32 0.48 0.00 1.61 2.02 0.54 -5.01 117.35 116.67 2hwt s TYR 93 Ca 0.02 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2hwt s TYR 93 Cb -0.13 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2hwt s TYR 93 CO 0.02 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 173.94 2hwt n GLY 94 N 0.00 -0.23 0.00 0.71 0.00 -1.26 -0.79 105.19 103.62 2hwt n GLY 94 Ca -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2hwt n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11