#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 -2.93 -4.20 0.00 3.00 -1.26 -4.95 116.66 106.32 2hwt n ARG 3 Ca 0.00 2.30 -0.24 0.00 -0.00 0.00 0.00 57.85 59.92 2hwt n ARG 3 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 32.46 28.94 2hwt n ARG 3 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2hwt s GLN 4 N -3.67 2.58 0.21 -0.14 -0.21 -1.26 -5.13 119.66 112.04 2hwt s GLN 4 Ca 0.00 -1.19 0.05 0.00 0.02 0.00 0.00 55.36 54.23 2hwt s GLN 4 Cb 0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 2hwt s GLN 4 CO 0.00 0.40 0.30 0.14 -2.12 0.00 0.00 175.29 174.01 2hwt s VAL 5 N -2.10 5.11 0.30 1.09 -7.23 -1.26 -5.11 120.40 111.20 2hwt s VAL 5 Ca 0.31 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 59.37 2hwt s VAL 5 Cb -0.08 -3.72 -0.08 0.00 0.56 0.00 0.00 36.38 33.05 2hwt s VAL 5 CO 0.22 -0.26 0.69 -0.63 -0.31 0.00 0.00 175.10 174.81 2hwt s ILE 6 N -1.92 4.75 0.58 -0.62 1.09 -1.26 -5.06 121.20 118.76 2hwt s ILE 6 Ca 0.34 0.81 -0.14 0.00 -1.10 0.00 0.00 60.65 60.55 2hwt s ILE 6 Cb -0.09 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 2hwt s ILE 6 CO 0.28 -0.16 1.02 0.00 -0.10 0.00 0.00 174.94 175.98 2hwt s TRP 8 N -2.75 3.17 -0.27 0.00 0.52 0.88 -4.73 118.94 115.77 2hwt s TRP 8 Ca 0.59 -0.82 -0.14 0.00 0.02 0.00 0.00 56.10 55.75 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 0.41 -0.54 0.31 0.00 0.02 0.00 0.00 176.95 177.15 2hwt s PHE 10 N 1.94 1.14 -0.08 0.00 -0.71 -1.19 -1.15 117.98 117.93 2hwt s PHE 10 Ca 0.12 -1.04 -0.01 0.00 -1.04 0.00 0.00 56.93 54.97 2hwt s PHE 10 Cb -0.16 -0.65 0.03 0.00 -1.21 0.00 0.00 43.02 41.03 2hwt s PHE 10 CO 0.10 -0.24 -0.03 0.99 -1.34 0.00 0.00 175.22 174.70 2hwt s THR 11 N -3.70 0.58 -0.18 -4.49 2.01 0.30 -3.64 115.64 106.52 2hwt s THR 11 Ca 0.23 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 2hwt s THR 11 Cb 0.06 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 2hwt s THR 11 CO 0.03 0.28 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.95 2hwt s LEU 12 N 1.70 2.89 -0.11 4.42 2.96 -0.12 -2.71 118.68 127.70 2hwt s LEU 12 Ca 0.02 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2hwt s LEU 12 Cb -0.13 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2hwt s LEU 12 CO -0.05 0.06 0.04 0.54 -1.32 0.00 0.00 176.35 175.63 2hwt s ASN 13 N 0.98 5.56 -1.00 3.68 2.20 -1.26 -0.10 114.94 125.00 2hwt s ASN 13 Ca -0.00 0.20 -0.13 0.00 -0.94 0.00 0.00 52.86 51.99 2hwt s ASN 13 Cb -0.15 -1.71 -0.00 0.00 -2.00 0.00 0.00 41.25 37.39 2hwt s ASN 13 CO 0.00 0.34 0.74 -3.20 -2.94 0.00 0.00 177.10 172.04 2hwt n ASN 14 N 2.40 -5.69 -4.77 3.54 5.15 -0.88 -4.91 115.26 110.10 2hwt n ASN 14 Ca -0.19 -0.84 -0.39 0.00 -0.60 0.00 0.00 54.58 52.57 2hwt n ASN 14 Cb 0.54 -3.36 -0.02 0.00 -0.53 0.00 0.00 39.78 36.40 2hwt n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2hwt s PRO 15 N -5.23 4.21 0.00 1.20 0.04 -1.26 -4.94 135.00 129.03 2hwt s PRO 15 Ca 0.29 1.96 0.27 0.00 0.04 0.00 0.00 61.00 63.56 2hwt s PRO 15 Cb -0.10 -2.86 0.94 0.00 0.04 0.00 0.00 34.50 32.52 2hwt s PRO 15 CO 0.85 -0.22 1.69 1.28 0.04 0.00 0.00 177.00 180.64 2hwt n LEU 16 N 0.43 0.64 -3.64 -3.56 4.77 -1.26 -4.94 117.00 109.43 2hwt n LEU 16 Ca 0.02 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2hwt n LEU 16 Cb 0.45 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2hwt n LEU 16 CO 0.54 0.12 1.19 -0.94 -1.33 0.00 0.00 177.39 176.98 2hwt s SER 17 N -2.61 -0.00 0.61 -1.43 1.04 -1.26 -5.16 113.70 104.88 2hwt s SER 17 Ca 0.23 -0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 2hwt s SER 17 Cb 0.19 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 2hwt s SER 17 CO 0.53 -0.01 1.12 -2.16 0.98 0.00 0.00 173.24 173.70 2hwt s PRO 18 N -2.01 3.05 0.93 4.02 0.04 -1.26 -5.04 135.00 134.73 2hwt s PRO 18 Ca 0.12 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2hwt s PRO 18 Cb -0.01 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.71 2hwt s PRO 18 CO -0.02 -1.07 1.13 -0.51 0.04 0.00 0.00 177.00 176.56 2hwt s LEU 19 N -4.39 1.90 -0.02 -3.56 1.43 -1.26 -5.09 118.68 107.69 2hwt s LEU 19 Ca 0.69 1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.66 2hwt s LEU 19 Cb -0.22 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 42.73 2hwt s LEU 19 CO 0.35 -2.70 0.30 -0.94 0.23 0.00 0.00 176.35 173.59 2hwt s SER 20 N -3.90 -0.18 0.63 2.29 1.04 -1.26 -5.15 113.70 107.18 2hwt s SER 20 Ca 0.64 0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.98 2hwt s SER 20 Cb -0.16 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 2hwt s SER 20 CO 0.54 -0.43 0.67 -0.11 0.98 0.00 0.00 173.24 174.90 2hwt n LEU 21 N 1.35 1.78 -4.39 2.42 7.94 -1.26 -5.00 117.00 119.84 2hwt n LEU 21 Ca -0.21 0.70 -0.32 0.00 -1.11 0.00 0.00 56.01 55.07 2hwt n LEU 21 Cb 0.56 -1.26 -0.15 0.00 0.53 0.00 0.00 43.42 43.11 2hwt n LEU 21 CO 0.22 -2.69 -0.51 -2.28 -1.11 0.00 0.00 177.39 171.02 2hwt s HIS 22 N -1.73 2.52 0.46 1.96 5.65 -1.26 -5.01 115.29 117.89 2hwt s HIS 22 Ca 0.70 -0.30 0.31 0.00 0.25 0.00 0.00 55.06 56.02 2hwt s HIS 22 Cb -0.40 -1.57 1.67 0.00 -1.18 0.00 0.00 32.58 31.10 2hwt s HIS 22 CO 0.53 0.07 2.15 -0.44 -0.65 0.00 0.00 174.74 176.40 2hwt h ASP 23 N 5.44 0.00 0.19 9.88 5.19 -2.02 -2.64 116.42 132.46 2hwt h ASP 23 Ca -0.44 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.63 2hwt h ASP 23 Cb 1.14 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.66 2hwt h ASP 23 CO 0.49 0.07 -1.66 0.28 -3.12 0.00 0.00 179.24 175.29 2hwt h SER 24 N 0.00 0.64 -2.75 6.45 0.02 -1.99 -3.47 113.55 112.44 2hwt h SER 24 Ca -0.00 -0.93 -0.24 0.00 -0.84 0.00 0.00 61.79 59.78 2hwt h SER 24 Cb 0.23 -0.21 0.11 0.00 0.14 0.00 0.00 62.40 62.68 2hwt h SER 24 CO 0.01 1.76 0.13 1.15 -1.14 0.00 0.00 176.83 178.73 2hwt n MET 25 N -3.66 -1.76 0.00 3.45 0.00 -1.00 -1.95 117.12 112.20 2hwt n MET 25 Ca -0.23 -1.08 0.00 0.00 0.00 0.00 0.00 57.70 56.39 2hwt n MET 25 Cb 1.06 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 33.38 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 -3.19 0.24 -4.04 3.17 5.02 -0.92 -4.59 118.16 113.85 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 0.34 -0.86 -0.11 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 -1.71 0.54 -0.08 2.13 5.04 -1.23 -2.24 117.35 119.80 2hwt s TYR 27 Ca 0.00 -0.55 0.01 0.00 -2.44 0.00 0.00 57.07 54.10 2hwt s TYR 27 Cb 0.00 -0.34 0.02 0.00 0.35 0.00 0.00 41.96 41.99 2hwt s TYR 27 CO 0.00 -0.13 -0.09 -1.17 -1.34 0.00 0.00 175.55 172.82 2hwt s LEU 28 N -1.65 1.40 -0.04 6.97 2.96 0.28 -3.36 118.68 125.24 2hwt s LEU 28 Ca -0.10 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2hwt s LEU 28 Cb -0.09 -0.75 0.03 0.00 0.50 0.00 0.00 46.19 45.88 2hwt s LEU 28 CO -0.01 -0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.34 2hwt s VAL 29 N 1.09 -0.07 0.08 1.68 1.01 -1.12 -0.17 120.40 122.91 2hwt s VAL 29 Ca -0.07 0.37 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2hwt s VAL 29 Cb -0.14 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.11 2hwt s VAL 29 CO -0.01 0.17 0.41 -0.72 0.00 0.00 0.00 175.10 174.95 2hwt s TYR 30 N 1.93 -0.24 0.05 5.22 1.13 -1.01 -1.75 117.35 122.66 2hwt s TYR 30 Ca 0.02 0.08 -0.01 0.00 -1.41 0.00 0.00 57.07 55.76 2hwt s TYR 30 Cb -0.12 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 2hwt s TYR 30 CO -0.03 -0.63 -0.03 -0.65 -2.51 0.00 0.00 175.55 171.69 2hwt s GLN 31 N -3.08 0.57 -0.16 -3.49 -0.21 -0.08 -2.50 119.66 110.70 2hwt s GLN 31 Ca -0.02 -1.10 -0.10 0.00 0.02 0.00 0.00 55.36 54.17 2hwt s GLN 31 Cb 0.00 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 34.12 2hwt s GLN 31 CO -0.07 -0.09 0.17 0.99 -2.12 0.00 0.00 175.29 174.17 2hwt s THR 32 N -3.38 5.42 0.23 -0.19 2.01 -1.14 -1.23 115.64 117.36 2hwt s THR 32 Ca 0.03 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.37 2hwt s THR 32 Cb 0.04 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 2hwt s THR 32 CO -0.08 0.51 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.64 2hwt s GLU 33 N -0.21 1.42 -0.17 4.92 2.02 -0.63 -0.11 118.70 125.94 2hwt s GLU 33 Ca 0.12 -1.67 -0.09 0.00 0.02 0.00 0.00 54.97 53.36 2hwt s GLU 33 Cb -0.12 -1.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.93 2hwt s GLU 33 CO 0.02 0.13 0.13 -1.14 0.02 0.00 0.00 175.26 174.41 2hwt s GLN 34 N -3.68 3.88 0.00 1.61 -0.44 -1.24 -2.60 119.66 117.20 2hwt s GLN 34 Ca 0.25 -0.20 0.00 0.00 -2.50 0.00 0.00 55.36 52.91 2hwt s GLN 34 Cb 0.01 -3.31 0.00 0.00 -1.64 0.00 0.00 33.01 28.07 2hwt s GLN 34 CO 0.09 0.48 0.00 0.41 0.50 0.00 0.00 175.29 176.77 2hwt n GLY 35 N 2.95 0.33 3.09 2.59 0.00 -1.25 -5.00 105.19 107.90 2hwt n GLY 35 Ca -0.18 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.38 -1.08 -1.16 1.61 0.28 -1.26 -4.42 120.64 114.23 2hwt n GLU 36 Ca 0.00 1.01 0.15 0.00 -0.16 0.00 0.00 57.16 58.16 2hwt n GLU 36 Cb 0.00 -1.38 -0.05 0.00 1.43 0.00 0.00 31.44 31.44 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 0.42 -3.01 0.01 -1.84 0.00 -1.26 -3.86 120.51 110.97 2hwt n ALA 37 Ca -0.05 0.49 0.23 0.00 0.00 0.00 0.00 53.44 54.11 2hwt n ALA 37 Cb 0.54 -1.11 0.72 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.10 0.00 -1.44 0.00 0.00 -2.03 -3.42 103.07 95.08 2hwt h GLY 38 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.85 2hwt h GLY 38 CO 0.03 0.00 -1.05 0.70 0.00 0.00 0.00 176.54 176.22 2hwt n ASN 39 N -3.85 -2.38 -4.44 0.19 3.02 -1.25 -4.86 115.26 101.68 2hwt n ASN 39 Ca 0.11 -0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.29 2hwt n ASN 39 Cb 0.74 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 2hwt n ASN 39 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2hwt s ILE 40 N -2.23 1.55 0.06 2.41 -4.36 -1.26 -3.95 121.20 113.41 2hwt s ILE 40 Ca 0.56 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 2hwt s ILE 40 Cb -0.12 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2hwt s ILE 40 CO 0.65 -0.21 -0.07 -1.38 0.24 0.00 0.00 174.94 174.17 2hwt s HIS 41 N -3.07 0.73 -0.14 1.37 -3.43 -1.07 -2.08 115.29 107.60 2hwt s HIS 41 Ca 0.31 -0.64 -0.07 0.00 -0.80 0.00 0.00 55.06 53.87 2hwt s HIS 41 Cb 0.05 -0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 2hwt s HIS 41 CO 0.13 -0.11 0.09 -0.06 -2.00 0.00 0.00 174.74 172.79 2hwt s PHE 42 N -2.10 3.40 -0.08 0.38 0.08 0.86 -1.60 117.98 118.92 2hwt s PHE 42 Ca -0.03 0.33 -0.05 0.00 0.12 0.00 0.00 56.93 57.30 2hwt s PHE 42 Cb -0.05 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2hwt s PHE 42 CO -0.01 0.48 0.19 -0.65 -0.10 0.00 0.00 175.22 175.13 2hwt s GLN 43 N -0.45 0.17 0.00 0.44 -0.21 -0.36 -0.95 119.66 118.30 2hwt s GLN 43 Ca 0.11 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.88 2hwt s GLN 43 Cb -0.12 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.82 2hwt s GLN 43 CO 0.02 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2hwt n GLY 44 N 3.83 -0.97 3.25 3.09 0.00 -1.24 -0.91 105.19 112.24 2hwt n GLY 44 Ca -0.22 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 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 1.98 -0.07 1.61 1.13 -0.72 -3.19 117.35 115.09 2hwt s TYR 45 Ca 0.00 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 2hwt s TYR 45 Cb 0.00 -1.26 0.02 0.00 -1.10 0.00 0.00 41.96 39.62 2hwt s TYR 45 CO 0.00 -0.01 -0.08 0.42 -2.51 0.00 0.00 175.55 173.37 2hwt s ILE 46 N -0.56 0.87 -0.27 -3.49 1.01 0.12 -2.80 121.20 116.07 2hwt s ILE 46 Ca 0.09 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 2hwt s ILE 46 Cb -0.09 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2hwt s ILE 46 CO -0.00 0.31 0.15 -1.61 0.00 0.00 0.00 174.94 173.79 2hwt s GLU 47 N 1.00 3.80 0.89 2.79 2.02 -1.21 -0.08 118.70 127.90 2hwt s GLU 47 Ca -0.09 -0.41 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 2hwt s GLU 47 Cb -0.15 -3.56 0.20 0.00 0.10 0.00 0.00 34.13 30.73 2hwt s GLU 47 CO -0.00 -0.21 1.22 -1.33 0.02 0.00 0.00 175.26 174.96 2hwt n MET 48 N 5.01 -1.15 0.12 1.61 2.81 -1.26 -2.17 117.12 122.09 2hwt n MET 48 Ca -0.15 -1.93 -0.16 0.00 -1.81 0.00 0.00 57.70 53.66 2hwt n MET 48 Cb 0.52 -1.23 -0.09 0.00 -0.71 0.00 0.00 33.22 31.70 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 -0.70 0.00 0.03 3.64 -1.64 -3.39 116.57 114.51 2hwt h LYS 49 Ca -0.39 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2hwt h LYS 49 Cb 1.10 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2hwt h LYS 49 CO 0.28 -0.47 0.00 1.63 -2.27 0.00 0.00 179.45 178.63 2hwt n LYS 50 N -5.48 0.00 -1.26 1.90 5.02 -1.26 -4.95 118.16 112.12 2hwt n LYS 50 Ca -0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 2hwt n LYS 50 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.40 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 2.20 -3.70 1.97 3.00 -1.26 -4.89 116.66 113.99 2hwt n ARG 51 Ca 0.00 -2.11 -0.38 0.00 -0.00 0.00 0.00 57.85 55.36 2hwt n ARG 51 Cb 0.00 -1.96 -0.12 0.00 0.00 0.00 0.00 32.46 30.38 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 -2.42 4.39 1.09 5.15 2.01 -1.26 -5.09 115.64 119.51 2hwt s THR 52 Ca 0.49 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 2hwt s THR 52 Cb 0.34 -3.23 0.26 0.00 0.01 0.00 0.00 72.50 69.88 2hwt s THR 52 CO -0.13 0.10 1.26 -0.94 -0.69 0.00 0.00 174.62 174.21 2hwt s SER 53 N 1.58 1.94 0.53 3.53 1.04 -1.26 -4.82 113.70 116.24 2hwt s SER 53 Ca 0.04 0.31 0.29 0.00 0.48 0.00 0.00 55.95 57.07 2hwt s SER 53 Cb -0.17 -0.35 1.44 0.00 0.10 0.00 0.00 66.02 67.04 2hwt s SER 53 CO 0.05 -3.47 1.93 0.25 0.98 0.00 0.00 173.24 172.99 2hwt h LEU 54 N -2.14 0.01 -1.87 2.42 5.85 -2.00 0.13 115.31 117.70 2hwt h LEU 54 Ca -0.43 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.45 2hwt h LEU 54 Cb 1.24 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 2hwt h LEU 54 CO 0.31 0.00 0.44 0.00 -0.34 0.00 0.00 178.44 178.86 2hwt h ALA 55 N 1.63 2.41 -0.10 1.25 0.00 -1.97 0.31 119.26 122.79 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 1.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2hwt h ALA 55 CO -0.01 -0.59 -0.17 0.78 0.00 0.00 0.00 179.25 179.26 2hwt h GLY 56 N 0.13 0.31 0.44 0.00 0.00 -1.05 -2.34 103.07 100.56 2hwt h GLY 56 Ca 0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2hwt h GLY 56 CO -0.04 0.33 -0.07 -0.33 0.00 0.00 0.00 176.54 176.43 2hwt h MET 57 N -0.16 0.08 -0.13 4.80 2.07 -1.41 -3.14 114.93 117.05 2hwt h MET 57 Ca 0.01 -0.06 0.04 0.00 -2.07 0.00 0.00 59.70 57.61 2hwt h MET 57 Cb 0.75 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 2hwt h MET 57 CO 0.04 0.69 0.15 -0.22 1.07 0.00 0.00 176.91 178.63 2hwt h LYS 58 N -0.52 0.00 -0.20 1.72 3.64 -0.55 -0.23 116.57 120.44 2hwt h LYS 58 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2hwt h LYS 58 Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2hwt h LYS 58 CO 0.01 0.00 0.01 0.87 -2.27 0.00 0.00 179.45 178.08 2hwt h LYS 59 N 0.00 0.28 0.21 1.90 1.57 -1.36 0.37 116.57 119.55 2hwt h LYS 59 Ca 0.06 -0.04 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 2hwt h LYS 59 Cb 0.35 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.63 2hwt h LYS 59 CO -0.00 0.30 -1.50 -0.07 -0.57 0.00 0.00 179.45 177.61 2hwt h LEU 60 N 0.28 0.70 -6.14 2.94 4.07 -1.14 -3.41 115.31 112.60 2hwt h LEU 60 Ca 0.07 -0.80 -0.55 0.00 0.08 0.00 0.00 57.88 56.67 2hwt h LEU 60 Cb 0.17 -0.23 -0.37 0.00 1.08 0.00 0.00 40.66 41.32 2hwt h LEU 60 CO 0.00 1.64 -1.00 -0.38 -1.08 0.00 0.00 178.44 177.62 2hwt n ILE 61 N -3.64 -0.95 -2.17 1.22 -0.00 -1.02 -5.10 119.36 107.71 2hwt n ILE 61 Ca -0.17 -3.51 -0.42 0.00 -0.00 0.00 0.00 62.75 58.65 2hwt n ILE 61 Cb 1.08 -1.59 -0.03 0.00 -0.00 0.00 0.00 39.64 39.11 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 -0.37 4.24 0.00 0.38 0.04 0.13 -3.20 135.00 136.22 2hwt s PRO 62 Ca 0.34 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2hwt s PRO 62 Cb 0.09 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2hwt s PRO 62 CO -0.16 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2hwt n GLY 63 N 3.79 0.66 3.65 0.56 0.00 -1.26 -5.10 105.19 107.49 2hwt n GLY 63 Ca 0.14 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.84 0.87 -0.37 4.61 0.00 -1.19 -4.99 121.76 119.85 2hwt s ALA 64 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 2hwt s ALA 64 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2hwt s ALA 64 CO 0.00 -2.89 0.49 -1.58 0.00 0.00 0.00 175.76 171.78 2hwt s HIS 65 N -2.86 3.17 0.25 0.00 2.46 -1.10 -4.96 115.29 112.24 2hwt s HIS 65 Ca 0.65 0.00 0.09 0.00 0.47 0.00 0.00 55.06 56.27 2hwt s HIS 65 Cb -0.20 -2.92 -0.04 0.00 -0.13 0.00 0.00 32.58 29.29 2hwt s HIS 65 CO 0.59 -0.59 0.04 -0.06 -2.47 0.00 0.00 174.74 172.24 2hwt s PHE 66 N 2.32 2.80 -0.21 3.88 0.40 -1.26 -0.54 117.98 125.38 2hwt s PHE 66 Ca 0.17 -0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 2hwt s PHE 66 Cb -0.16 -1.27 0.11 0.00 0.51 0.00 0.00 43.02 42.21 2hwt s PHE 66 CO 0.14 0.58 0.33 -1.21 0.70 0.00 0.00 175.22 175.76 2hwt s GLU 67 N -3.58 0.28 -0.09 0.44 2.02 -0.30 -4.96 118.70 112.51 2hwt s GLU 67 Ca 0.31 0.57 0.18 0.00 0.02 0.00 0.00 54.97 56.05 2hwt s GLU 67 Cb -0.07 -0.45 0.66 0.00 0.10 0.00 0.00 34.13 34.36 2hwt s GLU 67 CO 0.21 -0.53 1.57 1.17 0.02 0.00 0.00 175.26 177.69 2hwt n LYS 68 N 5.36 3.47 -0.07 1.61 3.00 -1.26 -3.05 118.16 127.22 2hwt n LYS 68 Ca -0.05 -2.78 0.02 0.00 -0.00 0.00 0.00 58.31 55.50 2hwt n LYS 68 Cb 0.50 -1.79 0.06 0.00 0.00 0.00 0.00 35.03 33.80 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 1.01 1.33 -2.37 1.64 0.63 -1.26 -4.91 116.66 112.73 2hwt n ARG 69 Ca 0.24 -0.47 -0.03 0.00 -0.92 0.00 0.00 57.85 56.67 2hwt n ARG 69 Cb 0.81 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.59 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 -0.10 -1.19 -0.04 -0.14 3.00 -1.26 -4.86 116.66 112.07 2hwt n ARG 70 Ca 0.04 1.33 0.24 0.00 -0.01 0.00 0.00 57.85 59.46 2hwt n ARG 70 Cb 0.13 -4.05 0.71 0.00 0.00 0.00 0.00 32.46 29.26 2hwt n ARG 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2hwt h GLY 71 N 0.84 0.00 -1.07 -0.13 0.00 -1.87 -3.14 103.07 97.70 2hwt h GLY 71 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2hwt h GLY 71 CO 0.14 0.00 -0.12 2.41 0.00 0.00 0.00 176.54 178.97 2hwt n THR 72 N -3.90 0.00 -2.36 4.70 -1.04 -1.26 -4.99 114.28 105.43 2hwt n THR 72 Ca 0.13 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.97 2hwt n THR 72 Cb 0.83 0.13 -0.01 0.00 -1.82 0.00 0.00 70.33 69.46 2hwt n THR 72 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2hwt n GLN 73 N 0.01 -1.93 -0.05 -2.82 7.27 -1.19 0.12 117.38 118.79 2hwt n GLN 73 Ca -0.01 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.86 2hwt n GLN 73 Cb 0.56 -5.42 0.00 0.00 2.41 0.00 0.00 30.24 27.79 2hwt n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hwt n GLY 74 N -0.87 1.12 0.32 1.69 0.00 -1.26 -4.90 105.19 101.30 2hwt n GLY 74 Ca -0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 3.34 0.00 0.00 1.61 4.81 -0.73 0.77 114.58 124.38 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 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2hwt n ALA 76 N -2.38 1.25 0.31 2.92 0.00 -1.26 -1.54 120.51 119.82 2hwt n ALA 76 Ca 0.01 0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.78 2hwt n ALA 76 Cb 0.27 -1.35 0.70 0.00 0.00 0.00 0.00 19.45 19.07 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 2.43 -1.22 0.27 114.38 115.86 2hwt h ARG 77 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2hwt h ARG 77 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2hwt h ARG 77 CO 0.00 0.00 -1.25 0.00 -1.51 0.00 0.00 179.97 177.21 2hwt n ALA 78 N -1.97 1.91 -0.03 2.80 0.00 -0.59 -4.78 120.51 117.84 2hwt n ALA 78 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 2hwt n ALA 78 Cb 0.23 0.27 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 0.25 -1.39 0.00 3.20 -1.40 -3.50 116.97 114.13 2hwt h TYR 79 Ca -0.10 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.59 2hwt h TYR 79 Cb 1.20 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2hwt h TYR 79 CO 0.00 1.45 0.00 0.43 -1.64 0.00 0.00 178.16 178.40 2hwt n SER 80 N -4.17 -4.17 -2.43 -2.11 7.64 0.95 -4.85 113.62 104.47 2hwt n SER 80 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2hwt n SER 80 Cb 0.77 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 -1.12 -0.66 -2.62 1.43 2.81 -1.26 -4.95 117.12 110.74 2hwt n MET 81 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2hwt n MET 81 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 2hwt n MET 81 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2hwt s LYS 82 N -2.84 4.17 0.34 0.03 -0.14 -1.26 -4.91 119.74 115.12 2hwt s LYS 82 Ca 0.00 1.27 0.04 0.00 -1.36 0.00 0.00 55.97 55.92 2hwt s LYS 82 Cb 0.00 -3.70 0.61 0.00 -1.68 0.00 0.00 37.83 33.06 2hwt s LYS 82 CO 0.00 -0.76 1.88 0.93 -0.76 0.00 0.00 175.35 176.64 2hwt h GLU 83 N 7.83 0.54 -0.40 1.68 5.08 -1.92 0.13 114.58 127.52 2hwt h GLU 83 Ca -0.20 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 2hwt h GLU 83 Cb 1.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2hwt h GLU 83 CO 1.00 0.55 -0.13 0.22 -1.00 0.00 0.00 179.01 179.65 2hwt h ASP 84 N 0.53 0.72 -0.54 1.42 1.82 -2.04 -2.61 116.42 115.72 2hwt h ASP 84 Ca 0.12 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2hwt h ASP 84 Cb 0.30 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2hwt h ASP 84 CO 0.01 0.87 0.00 0.35 -1.61 0.00 0.00 179.24 178.85 2hwt n THR 85 N -4.16 0.71 -2.93 2.25 -2.24 -0.94 -4.93 114.28 102.04 2hwt n THR 85 Ca 0.01 -0.80 -0.40 0.00 -2.27 0.00 0.00 64.05 60.59 2hwt n THR 85 Cb 0.37 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.29 4.55 -0.22 -0.78 3.52 0.41 -3.61 118.95 121.53 2hwt s ARG 86 Ca 0.42 1.16 -0.16 0.00 -0.13 0.00 0.00 55.73 57.01 2hwt s ARG 86 Cb 0.23 -3.35 -0.12 0.00 -1.56 0.00 0.00 34.95 30.15 2hwt s ARG 86 CO 0.30 0.30 -0.16 -0.11 -0.81 0.00 0.00 175.30 174.83 2hwt n LEU 87 N 2.66 1.90 -4.38 -0.88 0.00 0.59 -4.87 117.00 112.01 2hwt n LEU 87 Ca -0.02 0.41 -0.20 0.00 0.00 0.00 0.00 56.01 56.20 2hwt n LEU 87 Cb 0.50 -0.86 -0.09 0.00 0.00 0.00 0.00 43.42 42.97 2hwt n LEU 87 CO 0.48 0.16 -0.21 -0.70 0.00 0.00 0.00 177.39 177.12 2hwt s GLU 88 N -2.50 1.64 0.31 1.96 2.56 0.85 -4.99 118.70 118.54 2hwt s GLU 88 Ca -0.30 -1.94 0.00 0.00 0.00 0.00 0.00 54.97 52.72 2hwt s GLU 88 Cb 0.08 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.92 2hwt s GLU 88 CO 0.46 -0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.16 2hwt n GLY 89 N -0.64 -1.80 3.65 -1.50 0.00 -1.26 -2.90 105.19 100.74 2hwt n GLY 89 Ca -0.01 -1.87 -0.29 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 -0.06 -0.02 1.61 0.04 -1.26 -5.03 135.00 130.27 2hwt s PRO 90 Ca 0.00 0.36 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 2hwt s PRO 90 Cb 0.00 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.88 2hwt s PRO 90 CO 0.00 -3.02 0.03 -1.58 0.04 0.00 0.00 177.00 172.47 2hwt s TRP 91 N -2.97 0.06 -0.05 0.56 0.51 -1.04 -5.02 118.94 110.99 2hwt s TRP 91 Ca 0.67 0.13 0.06 0.00 -2.12 0.00 0.00 56.10 54.83 2hwt s TRP 91 Cb -0.17 -0.28 -0.02 0.00 -0.81 0.00 0.00 33.47 32.20 2hwt s TRP 91 CO 0.57 -0.10 -0.22 -1.21 -0.51 0.00 0.00 176.95 175.48 2hwt s GLU 92 N 1.17 2.49 0.06 4.98 2.02 -1.26 -2.41 118.70 125.75 2hwt s GLU 92 Ca -0.08 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.02 2hwt s GLU 92 Cb -0.13 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2hwt s GLU 92 CO -0.03 0.46 0.04 0.71 0.02 0.00 0.00 175.26 176.46 2hwt s TYR 93 N -0.35 0.40 0.00 1.61 2.02 0.77 -5.01 117.35 116.80 2hwt s TYR 93 Ca 0.02 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.81 2hwt s TYR 93 Cb -0.12 -0.29 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 2hwt s TYR 93 CO 0.02 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 173.99 2hwt n GLY 94 N 0.09 -0.24 0.00 0.71 0.00 -1.26 -0.56 105.19 103.93 2hwt n GLY 94 Ca -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2hwt n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11