#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwt s ARG 3 N 0.00 0.47 0.51 0.00 6.06 -1.26 -5.16 118.95 119.56 2hwt s ARG 3 Ca 0.00 0.18 -0.11 0.00 -2.50 0.00 0.00 55.73 53.30 2hwt s ARG 3 Cb 0.00 0.22 -0.06 0.00 0.06 0.00 0.00 34.95 35.17 2hwt s ARG 3 CO 0.00 -0.09 0.90 -0.65 -2.50 0.00 0.00 175.30 172.96 2hwt s GLN 4 N -0.41 3.74 0.23 5.12 -0.21 -1.26 -5.09 119.66 121.78 2hwt s GLN 4 Ca -0.05 0.63 0.08 0.00 0.02 0.00 0.00 55.36 56.04 2hwt s GLN 4 Cb -0.04 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 2hwt s GLN 4 CO 0.02 -0.27 0.02 0.14 -2.12 0.00 0.00 175.29 173.08 2hwt s VAL 5 N -2.72 3.68 0.32 1.09 -7.23 -1.26 -5.13 120.40 109.15 2hwt s VAL 5 Ca 0.54 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 2hwt s VAL 5 Cb -0.10 -2.93 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 2hwt s VAL 5 CO 0.40 -0.28 0.69 -0.63 -0.31 0.00 0.00 175.10 174.96 2hwt s ILE 6 N -2.08 4.79 0.62 -0.62 1.09 -1.26 -5.01 121.20 118.73 2hwt s ILE 6 Ca 0.30 0.70 -0.12 0.00 -1.10 0.00 0.00 60.65 60.43 2hwt s ILE 6 Cb -0.08 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 2hwt s ILE 6 CO 0.20 -0.24 1.04 0.00 -0.10 0.00 0.00 174.94 175.83 2hwt s TRP 8 N -2.97 3.17 -0.30 0.00 0.52 0.11 -4.73 118.94 114.75 2hwt s TRP 8 Ca 0.58 -0.76 -0.18 0.00 0.02 0.00 0.00 56.10 55.75 2hwt s TRP 8 Cb -0.12 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2hwt s TRP 8 CO 0.49 -0.52 0.54 0.00 0.02 0.00 0.00 176.95 177.47 2hwt s PHE 10 N 2.40 0.94 -0.09 0.00 -0.71 -1.21 -1.26 117.98 118.05 2hwt s PHE 10 Ca 0.21 -1.07 -0.00 0.00 -1.04 0.00 0.00 56.93 55.03 2hwt s PHE 10 Cb -0.15 -0.55 0.02 0.00 -1.21 0.00 0.00 43.02 41.13 2hwt s PHE 10 CO 0.11 -0.32 -0.06 0.99 -1.34 0.00 0.00 175.22 174.60 2hwt s THR 11 N -3.81 0.85 -0.25 -4.49 2.01 0.03 -3.85 115.64 106.12 2hwt s THR 11 Ca 0.19 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2hwt s THR 11 Cb 0.07 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 2hwt s THR 11 CO -0.01 0.33 0.04 -0.22 -0.69 0.00 0.00 174.62 174.07 2hwt s LEU 12 N 1.50 3.40 -0.15 4.42 2.96 -0.55 -2.98 118.68 127.28 2hwt s LEU 12 Ca -0.00 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2hwt s LEU 12 Cb -0.13 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2hwt s LEU 12 CO -0.05 -0.07 0.10 0.20 -1.32 0.00 0.00 176.35 175.21 2hwt s ASN 13 N 1.55 5.98 -1.00 3.68 0.02 -1.26 -0.43 114.94 123.47 2hwt s ASN 13 Ca 0.05 0.27 -0.13 0.00 -1.02 0.00 0.00 52.86 52.03 2hwt s ASN 13 Cb -0.15 -1.96 -0.00 0.00 0.02 0.00 0.00 41.25 39.16 2hwt s ASN 13 CO 0.01 0.30 0.74 0.59 0.02 0.00 0.00 177.10 178.76 2hwt n ASN 14 N 2.73 -5.67 -4.77 -1.22 3.02 -0.85 -4.91 115.26 103.59 2hwt n ASN 14 Ca -0.18 -0.84 -0.39 0.00 -0.03 0.00 0.00 54.58 53.13 2hwt n ASN 14 Cb 0.53 -3.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.34 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 -5.26 4.20 0.00 3.52 0.04 -1.26 -4.94 135.00 131.31 2hwt s PRO 15 Ca 0.29 1.95 0.27 0.00 0.04 0.00 0.00 61.00 63.56 2hwt s PRO 15 Cb -0.11 -2.85 0.97 0.00 0.04 0.00 0.00 34.50 32.55 2hwt s PRO 15 CO 0.85 -0.23 1.70 1.28 0.04 0.00 0.00 177.00 180.64 2hwt n LEU 16 N 0.41 0.66 -3.64 -3.56 4.32 -1.26 -4.94 117.00 108.98 2hwt n LEU 16 Ca 0.02 -0.07 -0.02 0.00 -0.02 0.00 0.00 56.01 55.93 2hwt n LEU 16 Cb 0.45 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 2hwt n LEU 16 CO 0.54 0.13 1.19 -0.94 -1.22 0.00 0.00 177.39 177.08 2hwt s SER 17 N -2.57 -0.01 0.62 -1.43 1.04 -1.26 -5.17 113.70 104.92 2hwt s SER 17 Ca 0.24 -0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.51 2hwt s SER 17 Cb 0.19 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2hwt s SER 17 CO 0.52 -0.02 1.12 -2.16 0.98 0.00 0.00 173.24 173.68 2hwt s PRO 18 N -2.03 2.97 0.82 4.02 0.04 -1.26 -5.04 135.00 134.51 2hwt s PRO 18 Ca 0.12 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2hwt s PRO 18 Cb -0.01 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2hwt s PRO 18 CO -0.02 -1.13 1.16 -0.51 0.04 0.00 0.00 177.00 176.54 2hwt s LEU 19 N -4.55 2.46 0.05 -3.56 1.43 -1.26 -5.10 118.68 108.15 2hwt s LEU 19 Ca 0.69 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.53 2hwt s LEU 19 Cb -0.21 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2hwt s LEU 19 CO 0.37 -1.97 0.27 -0.94 0.23 0.00 0.00 176.35 174.32 2hwt s SER 20 N -4.43 -0.07 0.66 2.29 1.04 -1.26 -5.15 113.70 106.78 2hwt s SER 20 Ca 0.62 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.59 2hwt s SER 20 Cb -0.12 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 2hwt s SER 20 CO 0.50 -0.63 0.87 -0.11 0.98 0.00 0.00 173.24 174.85 2hwt n LEU 21 N 0.47 3.02 -4.34 2.42 7.94 -1.26 -5.01 117.00 120.26 2hwt n LEU 21 Ca -0.18 0.72 -0.32 0.00 -1.11 0.00 0.00 56.01 55.12 2hwt n LEU 21 Cb 0.60 -1.35 -0.15 0.00 0.53 0.00 0.00 43.42 43.04 2hwt n LEU 21 CO 0.21 -2.20 -0.52 -2.28 -1.11 0.00 0.00 177.39 171.49 2hwt s HIS 22 N -1.69 2.57 0.60 1.96 5.65 -1.26 -5.00 115.29 118.12 2hwt s HIS 22 Ca 0.73 -0.58 0.34 0.00 0.25 0.00 0.00 55.06 55.81 2hwt s HIS 22 Cb -0.38 -1.65 2.00 0.00 -1.18 0.00 0.00 32.58 31.36 2hwt s HIS 22 CO 0.50 -0.12 2.28 -0.44 -0.65 0.00 0.00 174.74 176.31 2hwt h ASP 23 N 6.01 0.00 0.18 9.88 5.19 -2.01 -2.18 116.42 133.49 2hwt h ASP 23 Ca -0.34 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.74 2hwt h ASP 23 Cb 1.18 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.70 2hwt h ASP 23 CO 0.49 0.01 -1.63 0.28 -3.12 0.00 0.00 179.24 175.27 2hwt h SER 24 N 0.00 0.61 -2.78 6.45 0.02 -2.00 -3.47 113.55 112.38 2hwt h SER 24 Ca -0.00 -0.92 -0.25 0.00 -0.84 0.00 0.00 61.79 59.78 2hwt h SER 24 Cb 0.02 -0.20 0.11 0.00 0.14 0.00 0.00 62.40 62.48 2hwt h SER 24 CO 0.00 1.74 0.13 1.15 -1.14 0.00 0.00 176.83 178.71 2hwt n MET 25 N -3.69 -1.83 0.00 3.45 0.00 -0.82 -1.97 117.12 112.26 2hwt n MET 25 Ca -0.23 -1.12 0.00 0.00 0.00 0.00 0.00 57.70 56.35 2hwt n MET 25 Cb 1.04 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 33.32 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 -3.27 0.18 -4.06 3.17 5.02 -0.78 -4.59 118.16 113.84 2hwt n LYS 26 Ca 0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 2hwt n LYS 26 Cb 0.35 -0.89 -0.11 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.79 0.58 -0.07 2.13 5.04 -1.23 -2.60 117.35 119.42 2hwt s TYR 27 Ca 0.00 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 54.04 2hwt s TYR 27 Cb 0.00 -0.36 0.02 0.00 0.35 0.00 0.00 41.96 41.97 2hwt s TYR 27 CO 0.00 -0.14 -0.09 -1.17 -1.34 0.00 0.00 175.55 172.81 2hwt s LEU 28 N -1.85 1.45 -0.04 6.97 2.96 -0.35 -3.22 118.68 124.59 2hwt s LEU 28 Ca -0.07 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2hwt s LEU 28 Cb -0.07 -0.71 0.03 0.00 0.50 0.00 0.00 46.19 45.94 2hwt s LEU 28 CO -0.01 -0.02 0.04 -0.69 -1.32 0.00 0.00 176.35 174.35 2hwt s VAL 29 N 0.94 -0.01 0.01 1.68 1.01 -1.10 -0.71 120.40 122.23 2hwt s VAL 29 Ca -0.10 0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 2hwt s VAL 29 Cb -0.15 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.05 2hwt s VAL 29 CO 0.01 0.19 0.45 -0.72 0.00 0.00 0.00 175.10 175.02 2hwt s TYR 30 N 2.01 -0.34 0.05 5.22 -0.85 -1.14 -1.77 117.35 120.53 2hwt s TYR 30 Ca 0.03 0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 57.01 2hwt s TYR 30 Cb -0.12 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 2hwt s TYR 30 CO -0.03 -0.54 -0.04 -0.65 -1.52 0.00 0.00 175.55 172.76 2hwt s GLN 31 N -1.95 0.59 -0.08 -3.49 -0.21 0.12 -2.91 119.66 111.72 2hwt s GLN 31 Ca -0.08 -1.09 -0.13 0.00 0.02 0.00 0.00 55.36 54.07 2hwt s GLN 31 Cb -0.02 0.08 -0.05 0.00 1.00 0.00 0.00 33.01 34.03 2hwt s GLN 31 CO 0.02 -0.07 0.33 0.99 -2.12 0.00 0.00 175.29 174.44 2hwt s THR 32 N -3.22 5.21 0.13 -0.19 2.01 -1.15 -0.78 115.64 117.66 2hwt s THR 32 Ca 0.02 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.72 2hwt s THR 32 Cb 0.03 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2hwt s THR 32 CO -0.07 0.51 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.65 2hwt s GLU 33 N -0.45 1.00 -0.19 4.92 2.02 -0.68 -0.29 118.70 125.03 2hwt s GLU 33 Ca 0.20 -1.32 -0.10 0.00 0.02 0.00 0.00 54.97 53.78 2hwt s GLU 33 Cb -0.15 -0.69 -0.05 0.00 0.10 0.00 0.00 34.13 33.34 2hwt s GLU 33 CO 0.08 0.11 0.13 -1.14 0.02 0.00 0.00 175.26 174.47 2hwt s GLN 34 N -3.19 4.09 0.00 1.61 -0.44 -1.05 -2.64 119.66 118.05 2hwt s GLN 34 Ca 0.12 -0.20 0.00 0.00 -2.50 0.00 0.00 55.36 52.77 2hwt s GLN 34 Cb -0.01 -3.39 0.00 0.00 -1.64 0.00 0.00 33.01 27.97 2hwt s GLN 34 CO 0.01 0.36 0.00 0.41 0.50 0.00 0.00 175.29 176.58 2hwt n GLY 35 N 3.32 -0.02 3.11 2.59 0.00 -1.26 -4.93 105.19 108.00 2hwt n GLY 35 Ca -0.16 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.32 -1.08 -1.18 1.61 0.28 -1.26 -4.44 120.64 114.25 2hwt n GLU 36 Ca 0.00 1.02 0.15 0.00 -0.16 0.00 0.00 57.16 58.17 2hwt n GLU 36 Cb 0.00 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.43 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 0.43 -3.06 -0.02 -1.84 0.00 -1.26 -3.88 120.51 110.89 2hwt n ALA 37 Ca -0.05 0.50 0.23 0.00 0.00 0.00 0.00 53.44 54.13 2hwt n ALA 37 Cb 0.54 -1.13 0.72 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.12 0.00 -1.42 0.00 0.00 -2.03 -3.42 103.07 95.08 2hwt h GLY 38 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.85 2hwt h GLY 38 CO 0.03 0.00 -1.00 0.70 0.00 0.00 0.00 176.54 176.27 2hwt n ASN 39 N -3.93 -2.40 -4.43 0.19 4.13 -1.25 -4.86 115.26 102.70 2hwt n ASN 39 Ca 0.12 -0.17 -0.21 0.00 1.68 0.00 0.00 54.58 56.00 2hwt n ASN 39 Cb 0.77 -0.96 -0.10 0.00 -1.54 0.00 0.00 39.78 37.95 2hwt n ASN 39 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2hwt s ILE 40 N -2.23 1.51 0.04 2.41 -4.36 -1.26 -3.99 121.20 113.33 2hwt s ILE 40 Ca 0.56 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 2hwt s ILE 40 Cb -0.12 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 2hwt s ILE 40 CO 0.64 -0.23 -0.06 -1.38 0.24 0.00 0.00 174.94 174.15 2hwt s HIS 41 N -3.09 0.60 -0.18 1.37 -3.43 -1.08 -2.01 115.29 107.47 2hwt s HIS 41 Ca 0.31 -0.58 -0.09 0.00 -0.80 0.00 0.00 55.06 53.90 2hwt s HIS 41 Cb 0.05 -0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 30.79 2hwt s HIS 41 CO 0.13 -0.13 0.14 -0.06 -2.00 0.00 0.00 174.74 172.82 2hwt s PHE 42 N -1.78 3.46 -0.03 0.38 0.08 0.43 -1.69 117.98 118.84 2hwt s PHE 42 Ca -0.08 0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.38 2hwt s PHE 42 Cb -0.07 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2hwt s PHE 42 CO -0.01 0.41 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.81 2hwt s GLN 43 N -0.01 0.76 0.00 0.44 -1.52 0.04 -1.48 119.66 117.88 2hwt s GLN 43 Ca 0.10 -0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.32 2hwt s GLN 43 Cb -0.11 -0.75 0.00 0.00 -0.22 0.00 0.00 33.01 31.93 2hwt s GLN 43 CO -0.00 0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.48 2hwt n GLY 44 N 3.53 -1.59 3.31 3.09 0.00 -1.25 0.11 105.19 112.38 2hwt n GLY 44 Ca -0.20 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.57 2.30 -0.10 1.61 -0.85 -0.73 -3.29 117.35 113.73 2hwt s TYR 45 Ca 0.00 -0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.14 2hwt s TYR 45 Cb 0.00 -1.48 0.01 0.00 0.38 0.00 0.00 41.96 40.87 2hwt s TYR 45 CO 0.00 -0.03 -0.15 0.42 -1.52 0.00 0.00 175.55 174.27 2hwt s ILE 46 N -0.61 1.44 -0.28 -3.49 1.01 -0.19 -2.72 121.20 116.36 2hwt s ILE 46 Ca 0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 2hwt s ILE 46 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2hwt s ILE 46 CO -0.01 0.43 0.17 -1.61 0.00 0.00 0.00 174.94 173.92 2hwt s GLU 47 N 0.87 3.78 0.92 2.79 2.02 -1.20 0.05 118.70 127.94 2hwt s GLU 47 Ca -0.09 -0.42 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 2hwt s GLU 47 Cb -0.15 -3.60 0.21 0.00 0.10 0.00 0.00 34.13 30.69 2hwt s GLU 47 CO 0.01 -0.23 1.25 -1.33 0.02 0.00 0.00 175.26 174.98 2hwt n MET 48 N 5.03 -1.20 0.18 1.61 2.81 -1.26 -1.87 117.12 122.43 2hwt n MET 48 Ca -0.14 -1.97 -0.17 0.00 -1.81 0.00 0.00 57.70 53.61 2hwt n MET 48 Cb 0.51 -1.28 -0.09 0.00 -0.71 0.00 0.00 33.22 31.65 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 3.64 -1.64 -3.39 116.57 114.41 2hwt h LYS 49 Ca -0.41 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2hwt h LYS 49 Cb 1.13 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2hwt h LYS 49 CO 0.29 -0.53 0.00 1.63 -2.27 0.00 0.00 179.45 178.57 2hwt n LYS 50 N -5.51 0.00 -1.26 1.90 5.02 -1.26 -4.94 118.16 112.10 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 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.42 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 2.19 -3.72 1.97 0.63 -1.26 -4.88 116.66 111.59 2hwt n ARG 51 Ca 0.00 -2.09 -0.38 0.00 -0.92 0.00 0.00 57.85 54.46 2hwt n ARG 51 Cb 0.00 -1.96 -0.12 0.00 0.45 0.00 0.00 32.46 30.83 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 -2.35 4.24 1.05 5.15 2.01 -1.26 -5.10 115.64 119.38 2hwt s THR 52 Ca 0.49 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2hwt s THR 52 Cb 0.34 -3.16 0.24 0.00 0.01 0.00 0.00 72.50 69.93 2hwt s THR 52 CO -0.13 0.10 1.29 -0.94 -0.69 0.00 0.00 174.62 174.24 2hwt s SER 53 N 1.55 2.34 0.53 3.53 1.04 -1.26 -4.84 113.70 116.59 2hwt s SER 53 Ca 0.04 0.27 0.28 0.00 0.48 0.00 0.00 55.95 57.02 2hwt s SER 53 Cb -0.17 -0.30 1.42 0.00 0.10 0.00 0.00 66.02 67.07 2hwt s SER 53 CO 0.04 -3.22 1.94 0.25 0.98 0.00 0.00 173.24 173.23 2hwt h LEU 54 N -1.97 0.03 -1.70 2.42 5.85 -2.00 0.10 115.31 118.04 2hwt h LEU 54 Ca -0.44 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.44 2hwt h LEU 54 Cb 1.24 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2hwt h LEU 54 CO 0.33 0.01 0.48 0.00 -0.34 0.00 0.00 178.44 178.92 2hwt h ALA 55 N 1.64 2.23 -0.21 1.25 0.00 -1.98 0.18 119.26 122.36 2hwt h ALA 55 Ca 0.35 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 2hwt h ALA 55 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2hwt h ALA 55 CO -0.01 -0.42 -0.41 0.78 0.00 0.00 0.00 179.25 179.18 2hwt h GLY 56 N 0.30 0.72 0.46 0.00 0.00 -1.11 -2.39 103.07 101.05 2hwt h GLY 56 Ca 0.34 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2hwt h GLY 56 CO -0.09 0.76 -0.06 -0.33 0.00 0.00 0.00 176.54 176.82 2hwt h MET 57 N 0.35 0.08 -0.37 4.80 2.07 -1.33 -3.17 114.93 117.35 2hwt h MET 57 Ca 0.01 -0.05 0.08 0.00 -2.07 0.00 0.00 59.70 57.67 2hwt h MET 57 Cb 1.01 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.73 2hwt h MET 57 CO 0.09 0.66 0.26 1.57 1.07 0.00 0.00 176.91 180.57 2hwt h LYS 58 N -0.50 0.12 -0.43 1.72 2.10 -0.79 -0.40 116.57 118.40 2hwt h LYS 58 Ca -0.00 -0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.72 2hwt h LYS 58 Cb 0.67 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.95 2hwt h LYS 58 CO 0.01 0.08 0.30 -0.22 -2.00 0.00 0.00 179.45 177.62 2hwt h LYS 59 N 0.13 0.22 0.21 0.07 1.63 -1.39 0.37 116.57 117.80 2hwt h LYS 59 Ca 0.17 -0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 59.63 2hwt h LYS 59 Cb 0.52 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 32.13 2hwt h LYS 59 CO -0.02 0.15 -1.49 -0.07 -3.45 0.00 0.00 179.45 174.57 2hwt h LEU 60 N 0.23 0.68 -6.26 5.20 4.07 -1.17 -3.41 115.31 114.66 2hwt h LEU 60 Ca 0.20 -0.79 -0.58 0.00 0.08 0.00 0.00 57.88 56.79 2hwt h LEU 60 Cb 0.48 -0.22 -0.39 0.00 1.08 0.00 0.00 40.66 41.61 2hwt h LEU 60 CO -0.04 1.63 -1.00 -0.38 -1.08 0.00 0.00 178.44 177.57 2hwt n ILE 61 N -3.63 -0.87 -2.06 1.22 -0.00 -0.68 -5.09 119.36 108.25 2hwt n ILE 61 Ca -0.16 -3.71 -0.41 0.00 -0.00 0.00 0.00 62.75 58.47 2hwt n ILE 61 Cb 1.08 -1.78 -0.03 0.00 -0.00 0.00 0.00 39.64 38.91 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 -0.47 3.03 0.00 0.38 0.04 0.12 -3.70 135.00 134.40 2hwt s PRO 62 Ca 0.34 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2hwt s PRO 62 Cb 0.08 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2hwt s PRO 62 CO -0.16 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.05 2hwt n GLY 63 N 5.51 0.70 3.26 0.56 0.00 -1.26 -5.11 105.19 108.85 2hwt n GLY 63 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.36 1.45 -0.41 4.61 0.00 -1.24 -4.92 121.76 119.88 2hwt s ALA 64 Ca 0.00 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.01 2hwt s ALA 64 Cb 0.00 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.28 2hwt s ALA 64 CO 0.00 -0.50 0.51 -1.58 0.00 0.00 0.00 175.76 174.19 2hwt s HIS 65 N -3.92 3.14 0.24 0.00 2.46 -1.16 -4.98 115.29 111.07 2hwt s HIS 65 Ca 0.37 -0.13 0.09 0.00 0.47 0.00 0.00 55.06 55.86 2hwt s HIS 65 Cb 0.07 -3.03 -0.04 0.00 -0.13 0.00 0.00 32.58 29.46 2hwt s HIS 65 CO 0.12 -0.70 -0.01 -0.06 -2.47 0.00 0.00 174.74 171.62 2hwt s PHE 66 N 2.40 2.73 -0.21 3.88 0.40 -1.26 -0.79 117.98 125.12 2hwt s PHE 66 Ca 0.17 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.26 2hwt s PHE 66 Cb -0.16 -1.24 0.10 0.00 0.51 0.00 0.00 43.02 42.23 2hwt s PHE 66 CO 0.15 0.59 0.30 -1.21 0.70 0.00 0.00 175.22 175.74 2hwt s GLU 67 N -3.44 0.25 0.00 0.44 2.02 -0.39 -4.96 118.70 112.62 2hwt s GLU 67 Ca 0.30 0.45 0.21 0.00 0.02 0.00 0.00 54.97 55.95 2hwt s GLU 67 Cb -0.07 -0.68 0.53 0.00 0.10 0.00 0.00 34.13 34.01 2hwt s GLU 67 CO 0.19 -0.58 1.45 1.17 0.02 0.00 0.00 175.26 177.52 2hwt n LYS 68 N 5.34 2.38 -0.29 1.61 0.00 -1.26 -3.13 118.16 122.82 2hwt n LYS 68 Ca -0.05 -2.12 0.03 0.00 0.00 0.00 0.00 58.31 56.16 2hwt n LYS 68 Cb 0.50 -1.48 0.14 0.00 0.00 0.00 0.00 35.03 34.18 2hwt n LYS 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hwt n ARG 69 N 1.26 2.24 -3.29 1.64 1.74 -1.26 -4.94 116.66 114.06 2hwt n ARG 69 Ca 0.20 -1.06 -0.35 0.00 -0.77 0.00 0.00 57.85 55.88 2hwt n ARG 69 Cb 0.53 -1.69 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 2hwt n ARG 69 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2hwt n ARG 70 N 0.22 -1.68 0.29 5.56 1.85 -1.26 -4.72 116.66 116.92 2hwt n ARG 70 Ca 0.09 1.27 0.17 0.00 -1.00 0.00 0.00 57.85 58.38 2hwt n ARG 70 Cb 0.53 -1.77 0.84 0.00 -1.05 0.00 0.00 32.46 31.01 2hwt n ARG 70 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2hwt h GLY 71 N 2.00 0.00 -1.93 2.89 0.00 -1.92 -3.16 103.07 100.95 2hwt h GLY 71 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2hwt h GLY 71 CO 0.20 0.00 -0.25 2.41 0.00 0.00 0.00 176.54 178.90 2hwt n THR 72 N -3.11 0.00 -2.59 4.70 -1.04 -1.26 -5.09 114.28 105.89 2hwt n THR 72 Ca -0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2hwt n THR 72 Cb 0.39 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 2hwt n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hwt n GLN 73 N -0.03 0.00 0.15 -2.82 3.00 -1.20 -2.75 117.38 113.73 2hwt n GLN 73 Ca -0.24 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.86 2hwt n GLN 73 Cb 0.64 0.00 0.55 0.00 0.00 0.00 0.00 30.24 31.43 2hwt n GLN 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hwt n GLY 74 N 0.00 -1.00 0.29 1.08 0.00 -1.26 -2.08 105.19 102.22 2hwt n GLY 74 Ca 0.00 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.00 0.00 1.61 4.81 -1.98 0.04 114.58 119.06 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 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2hwt h GLU 75 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2hwt n ALA 76 N -2.41 1.28 0.29 2.92 0.00 -0.89 -1.71 120.51 120.00 2hwt n ALA 76 Ca -0.02 0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.74 2hwt n ALA 76 Cb 0.13 -1.32 0.84 0.00 0.00 0.00 0.00 19.45 19.11 2hwt n ALA 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2hwt h ARG 77 N 0.00 0.00 0.00 0.00 -0.00 -1.21 0.32 114.38 113.50 2hwt h ARG 77 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2hwt h ARG 77 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.10 2hwt h ARG 77 CO 0.00 0.02 -0.23 0.00 -0.00 0.00 0.00 179.97 179.77 2hwt h ALA 78 N 1.98 0.03 -0.26 0.08 0.00 -1.53 -3.38 119.26 116.18 2hwt h ALA 78 Ca -0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2hwt h ALA 78 Cb 0.35 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2hwt h ALA 78 CO 0.00 0.16 -0.30 -0.92 0.00 0.00 0.00 179.25 178.19 2hwt h TYR 79 N -1.00 0.81 0.00 0.00 3.20 -1.67 -3.46 116.97 114.85 2hwt h TYR 79 Ca -0.04 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2hwt h TYR 79 Cb 0.58 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2hwt h TYR 79 CO 0.08 0.99 0.00 0.43 -1.64 0.00 0.00 178.16 178.03 2hwt n SER 80 N -4.27 0.00 -0.87 -2.11 7.64 0.11 -4.65 113.62 109.47 2hwt n SER 80 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2hwt n SER 80 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.03 -3.38 1.43 0.00 -1.26 -4.92 117.12 109.02 2hwt n MET 81 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 2hwt n MET 81 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 2hwt n MET 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2hwt s LYS 82 N -1.57 4.14 0.34 0.03 2.20 -1.26 -4.96 119.74 118.66 2hwt s LYS 82 Ca 0.00 0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.84 2hwt s LYS 82 Cb 0.00 -3.56 0.61 0.00 -1.51 0.00 0.00 37.83 33.37 2hwt s LYS 82 CO 0.00 -0.09 1.90 1.49 -0.36 0.00 0.00 175.35 178.29 2hwt h GLU 83 N 7.52 0.58 -0.07 4.03 4.81 -1.93 0.20 114.58 129.72 2hwt h GLU 83 Ca -0.35 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2hwt h GLU 83 Cb 1.16 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2hwt h GLU 83 CO 0.71 0.55 0.09 -0.44 -0.73 0.00 0.00 179.01 179.19 2hwt h ASP 84 N 0.56 0.00 0.00 1.04 3.32 -2.04 -1.36 116.42 117.94 2hwt h ASP 84 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2hwt h ASP 84 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2hwt h ASP 84 CO 0.00 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 177.93 2hwt n THR 85 N -3.72 0.75 -2.55 0.35 -1.04 -0.69 -5.02 114.28 102.36 2hwt n THR 85 Ca -0.01 -0.87 -0.42 0.00 -2.04 0.00 0.00 64.05 60.70 2hwt n THR 85 Cb 0.19 0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 69.30 2hwt n THR 85 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2hwt s ARG 86 N -0.75 4.45 -0.19 -2.82 3.52 0.61 -2.53 118.95 121.24 2hwt s ARG 86 Ca 0.00 1.60 -0.16 0.00 -0.13 0.00 0.00 55.73 57.04 2hwt s ARG 86 Cb 0.00 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.86 2hwt s ARG 86 CO 0.00 -0.25 -0.29 -0.11 -0.81 0.00 0.00 175.30 173.84 2hwt n LEU 87 N 4.38 1.91 -4.39 -0.88 0.00 -0.37 -4.84 117.00 112.82 2hwt n LEU 87 Ca 0.09 0.40 -0.20 0.00 0.00 0.00 0.00 56.01 56.29 2hwt n LEU 87 Cb 0.48 -0.79 -0.09 0.00 0.00 0.00 0.00 43.42 43.01 2hwt n LEU 87 CO 0.54 -0.14 -0.21 -0.70 0.00 0.00 0.00 177.39 176.87 2hwt s GLU 88 N -2.68 1.66 0.32 1.96 2.12 0.60 -4.98 118.70 117.70 2hwt s GLU 88 Ca -0.28 -1.96 0.00 0.00 0.36 0.00 0.00 54.97 53.10 2hwt s GLU 88 Cb 0.06 -0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.10 2hwt s GLU 88 CO 0.41 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2hwt n GLY 89 N -0.66 -1.81 3.64 -1.50 0.00 -1.26 -2.91 105.19 100.69 2hwt n GLY 89 Ca -0.01 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.28 -0.03 1.61 0.04 -1.26 -5.03 135.00 130.06 2hwt s PRO 90 Ca 0.00 0.27 -0.01 0.00 0.04 0.00 0.00 61.00 61.30 2hwt s PRO 90 Cb 0.00 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.88 2hwt s PRO 90 CO 0.00 -3.15 0.06 -1.58 0.04 0.00 0.00 177.00 172.36 2hwt s TRP 91 N -2.98 -0.04 -0.04 0.56 0.51 -1.15 -5.02 118.94 110.78 2hwt s TRP 91 Ca 0.68 0.19 0.06 0.00 -2.12 0.00 0.00 56.10 54.91 2hwt s TRP 91 Cb -0.15 -0.09 -0.02 0.00 -0.81 0.00 0.00 33.47 32.40 2hwt s TRP 91 CO 0.57 -0.07 -0.23 -1.21 -0.51 0.00 0.00 176.95 175.49 2hwt s GLU 92 N 0.59 2.40 0.08 4.98 2.02 -1.26 -2.89 118.70 124.62 2hwt s GLU 92 Ca -0.05 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 2hwt s GLU 92 Cb -0.07 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 2hwt s GLU 92 CO -0.02 0.48 0.04 0.71 0.02 0.00 0.00 175.26 176.49 2hwt s TYR 93 N -0.40 0.56 0.00 1.61 2.02 0.12 -5.03 117.35 116.23 2hwt s TYR 93 Ca 0.04 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2hwt s TYR 93 Cb -0.12 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 2hwt s TYR 93 CO 0.01 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 173.94 2hwt n GLY 94 N 0.01 -0.43 0.00 0.71 0.00 -1.26 -1.22 105.19 103.01 2hwt n GLY 94 Ca -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2hwt n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11