#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wen s SER 2 N 0.00 -0.02 0.46 1.61 1.04 -1.26 -5.16 113.70 110.37 1wen s SER 2 Ca 0.00 0.52 0.05 0.00 0.48 0.00 0.00 55.95 57.00 1wen s SER 2 Cb 0.00 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1wen s SER 2 CO 0.00 -0.19 0.16 -0.94 0.98 0.00 0.00 173.24 173.25 1wen s SER 3 N 1.64 4.33 -0.61 7.02 1.04 -1.26 -5.03 113.70 120.83 1wen s SER 3 Ca -0.06 -1.29 -0.26 0.00 0.48 0.00 0.00 55.95 54.82 1wen s SER 3 Cb -0.11 -0.03 -0.07 0.00 0.10 0.00 0.00 66.02 65.90 1wen s SER 3 CO -0.08 -0.73 2.27 -0.83 0.98 0.00 0.00 173.24 174.85 1wen s GLY 4 N -3.95 -0.35 -0.29 7.32 0.00 -1.26 -4.84 107.32 103.94 1wen s GLY 4 Ca 0.30 -0.39 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 1wen s GLY 4 CO 0.17 3.97 1.05 -0.45 0.00 0.00 0.00 173.10 177.84 1wen s SER 5 N 10.84 -0.41 0.11 1.64 0.15 -1.26 -5.18 113.70 119.58 1wen s SER 5 Ca 0.88 0.69 -0.25 0.00 0.70 0.00 0.00 55.95 57.98 1wen s SER 5 Cb -0.15 1.05 0.07 0.00 -1.71 0.00 0.00 66.02 65.29 1wen s SER 5 CO 0.19 -0.11 0.63 -0.94 1.20 0.00 0.00 173.24 174.21 1wen s SER 6 N 1.00 -0.58 0.00 5.45 1.04 -1.26 -5.13 113.70 114.23 1wen s SER 6 Ca -0.05 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1wen s SER 6 Cb -0.04 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1wen s SER 6 CO -0.13 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1wen n GLY 7 N -0.11 0.37 3.42 7.32 0.00 -1.26 -5.09 105.19 109.84 1wen n GLY 7 Ca -0.17 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1wen n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wen s ASP 8 N -4.00 0.01 0.35 1.61 1.11 -1.26 -5.13 116.67 109.36 1wen s ASP 8 Ca 0.00 -1.07 -0.23 0.00 0.18 0.00 0.00 52.55 51.43 1wen s ASP 8 Cb 0.00 0.49 -0.16 0.00 1.07 0.00 0.00 42.92 44.33 1wen s ASP 8 CO 0.00 -1.00 0.24 1.15 1.18 0.00 0.00 175.17 176.74 1wen n MET 9 N -0.32 0.05 -2.21 8.23 0.00 -1.26 -4.83 117.12 116.79 1wen n MET 9 Ca -0.01 0.02 -0.42 0.00 0.00 0.00 0.00 57.70 57.29 1wen n MET 9 Cb 0.63 -1.05 -0.03 0.00 0.00 0.00 0.00 33.22 32.78 1wen n MET 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wen s PRO 10 N -1.05 4.35 -0.35 3.17 0.04 -1.26 -4.92 135.00 134.99 1wen s PRO 10 Ca 0.61 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.42 1wen s PRO 10 Cb -0.71 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 1wen s PRO 10 CO 0.61 -0.37 2.31 0.14 0.04 0.00 0.00 177.00 179.74 1wen s VAL 11 N 0.81 3.00 0.41 -0.36 -7.23 -1.26 -4.89 120.40 110.88 1wen s VAL 11 Ca 0.62 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.58 1wen s VAL 11 Cb -0.36 -3.01 -0.15 0.00 0.56 0.00 0.00 36.38 33.42 1wen s VAL 11 CO 0.32 -0.01 0.11 0.47 -0.31 0.00 0.00 175.10 175.69 1wen n ASP 12 N 13.74 -2.76 0.00 4.85 9.92 -1.26 -4.78 116.55 136.25 1wen n ASP 12 Ca 0.33 0.81 0.07 0.00 -0.53 0.00 0.00 54.79 55.48 1wen n ASP 12 Cb 0.50 -0.90 0.37 0.00 -0.64 0.00 0.00 41.12 40.45 1wen n ASP 12 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1wen n PRO 13 N 1.29 0.21 0.01 -0.24 -0.04 -1.26 -3.18 135.00 131.79 1wen n PRO 13 Ca 0.11 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1wen n PRO 13 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 1wen n PRO 13 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1wen h ASN 14 N 0.00 -0.06 -3.74 3.54 4.21 -2.01 -3.42 115.58 114.10 1wen h ASN 14 Ca 0.00 -0.44 -0.63 0.00 1.21 0.00 0.00 56.30 56.44 1wen h ASN 14 Cb 0.14 0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 37.20 1wen h ASN 14 CO 0.00 0.43 -0.34 -1.61 -1.29 0.00 0.00 177.43 174.62 1wen s GLU 15 N -4.16 4.02 0.44 0.81 2.02 -1.19 -5.07 118.70 115.57 1wen s GLU 15 Ca -0.15 -0.08 -0.24 0.00 0.02 0.00 0.00 54.97 54.52 1wen s GLU 15 Cb 0.01 -3.64 -0.08 0.00 0.10 0.00 0.00 34.13 30.53 1wen s GLU 15 CO 0.64 -0.19 1.17 -1.25 0.02 0.00 0.00 175.26 175.64 1wen s PRO 16 N 1.81 3.83 -0.00 0.39 0.04 -1.26 -4.79 135.00 135.03 1wen s PRO 16 Ca 0.12 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 1wen s PRO 16 Cb -0.16 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1wen s PRO 16 CO 0.10 -0.49 0.79 0.95 0.04 0.00 0.00 177.00 178.38 1wen s THR 17 N -1.51 4.87 0.00 1.26 -4.23 -1.26 -4.65 115.64 110.12 1wen s THR 17 Ca 0.62 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.80 1wen s THR 17 Cb -0.29 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.41 1wen s THR 17 CO 0.36 0.28 0.00 -1.22 -0.54 0.00 0.00 174.62 173.50 1wen n TYR 18 N 3.40 0.00 -0.91 3.99 4.01 -1.12 -4.90 117.16 121.62 1wen n TYR 18 Ca -0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1wen n TYR 18 Cb 0.51 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 1wen n TYR 18 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wen h LEU 20 N -1.25 0.64 0.00 0.00 4.07 -1.95 -1.76 115.31 115.06 1wen h LEU 20 Ca -0.44 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1wen h LEU 20 Cb 1.31 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1wen h LEU 20 CO 0.27 0.71 0.00 0.00 -1.08 0.00 0.00 178.44 178.34 1wen n HIS 22 N -1.27 -1.85 -4.40 0.00 8.25 -0.66 -5.04 115.22 110.25 1wen n HIS 22 Ca 0.02 0.71 -0.20 0.00 -0.26 0.00 0.00 57.72 57.99 1wen n HIS 22 Cb 0.03 -4.12 -0.10 0.00 1.12 0.00 0.00 29.99 26.91 1wen n HIS 22 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1wen s GLN 23 N -4.59 1.48 0.50 -0.41 -1.52 -1.26 -4.91 119.66 108.95 1wen s GLN 23 Ca 0.18 -1.74 0.03 0.00 -1.95 0.00 0.00 55.36 51.88 1wen s GLN 23 Cb -0.02 -1.00 0.02 0.00 -0.22 0.00 0.00 33.01 31.78 1wen s GLN 23 CO 0.58 0.01 0.70 0.14 -0.25 0.00 0.00 175.29 176.48 1wen s VAL 24 N -3.12 2.99 -0.32 1.09 -7.23 -1.26 -2.78 120.40 109.77 1wen s VAL 24 Ca 0.29 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.45 1wen s VAL 24 Cb 0.04 -3.09 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1wen s VAL 24 CO 0.11 -0.05 2.07 -0.55 -0.31 0.00 0.00 175.10 176.36 1wen s SER 25 N -4.37 5.47 0.00 4.85 0.15 -1.26 -4.71 113.70 113.84 1wen s SER 25 Ca 0.55 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1wen s SER 25 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1wen s SER 25 CO 0.37 -2.01 0.00 0.00 1.20 0.00 0.00 173.24 172.80 1wen n TYR 26 N 11.77 0.00 -2.56 3.44 0.18 -1.26 -5.11 117.16 123.63 1wen n TYR 26 Ca 0.28 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.06 1wen n TYR 26 Cb 0.47 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1wen n TYR 26 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wen n GLY 27 N 1.70 5.20 3.73 -7.48 0.00 -1.26 -5.12 105.19 101.96 1wen n GLY 27 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1wen n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wen s GLU 28 N 1.40 4.24 0.17 1.61 8.01 -1.26 -5.00 118.70 127.88 1wen s GLU 28 Ca 0.00 2.31 0.00 0.00 0.01 0.00 0.00 54.97 57.30 1wen s GLU 28 Cb 0.00 -3.15 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 1wen s GLU 28 CO 0.00 -0.53 0.06 -1.64 0.01 0.00 0.00 175.26 173.16 1wen s MET 29 N 0.60 1.10 0.20 1.61 -1.94 -1.26 -2.28 119.30 117.32 1wen s MET 29 Ca 0.66 -1.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 1wen s MET 29 Cb -0.42 0.02 -0.05 0.00 2.01 0.00 0.00 34.83 36.38 1wen s MET 29 CO 0.35 -0.25 -0.03 0.96 -0.01 0.00 0.00 175.02 176.05 1wen s ILE 30 N -3.90 0.99 -0.38 2.53 -0.00 -1.14 -4.96 121.20 114.34 1wen s ILE 30 Ca 0.28 -2.03 -0.01 0.00 -0.00 0.00 0.00 60.65 58.89 1wen s ILE 30 Cb 0.07 -2.16 0.10 0.00 -0.00 0.00 0.00 42.46 40.47 1wen s ILE 30 CO 0.06 -0.47 0.15 -0.83 -0.00 0.00 0.00 174.94 173.84 1wen s GLY 31 N -3.24 1.95 -0.10 6.27 0.00 -1.26 -3.48 107.32 107.46 1wen s GLY 31 Ca 0.24 -2.46 -0.38 0.00 0.00 0.00 0.00 44.72 42.12 1wen s GLY 31 CO 0.05 0.97 1.10 0.00 0.00 0.00 0.00 173.10 175.22 1wen h ASP 33 N 3.18 0.78 -2.08 0.00 1.82 -1.58 -3.42 116.42 115.12 1wen h ASP 33 Ca -0.46 0.01 -0.60 0.00 -0.39 0.00 0.00 57.03 55.60 1wen h ASP 33 Cb 1.31 -0.15 0.02 0.00 0.68 0.00 0.00 39.33 41.18 1wen h ASP 33 CO 0.67 0.48 1.16 -3.20 -1.61 0.00 0.00 179.24 176.74 1wen n ASN 34 N -4.50 3.59 0.25 2.28 5.15 -1.26 -4.85 115.26 115.92 1wen n ASN 34 Ca 0.13 0.91 0.14 0.00 -0.60 0.00 0.00 54.58 55.16 1wen n ASN 34 Cb 0.26 -1.41 0.61 0.00 -0.53 0.00 0.00 39.78 38.71 1wen n ASN 34 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1wen h PRO 35 N 9.90 0.00 0.06 1.20 0.13 -2.00 -2.96 132.00 138.33 1wen h PRO 35 Ca -0.48 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.40 1wen h PRO 35 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wen h PRO 35 CO 0.95 0.11 -1.08 0.22 -0.23 0.00 0.00 178.00 177.97 1wen h ASP 36 N 0.00 0.52 -0.49 1.44 1.82 -1.95 -3.45 116.42 114.32 1wen h ASP 36 Ca -0.00 -0.47 -0.82 0.00 -0.39 0.00 0.00 57.03 55.35 1wen h ASP 36 Cb 0.57 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 1wen h ASP 36 CO 0.01 1.31 1.03 0.00 -1.61 0.00 0.00 179.24 179.98 1wen h SER 38 N 7.18 0.38 0.24 0.00 0.87 -1.90 -3.34 113.55 116.98 1wen h SER 38 Ca -0.26 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 59.97 1wen h SER 38 Cb 1.39 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1wen h SER 38 CO 1.04 0.60 -0.12 0.40 -0.53 0.00 0.00 176.83 178.22 1wen h ILE 39 N 0.15 0.00 -6.30 2.23 2.04 -1.93 -3.47 117.51 110.23 1wen h ILE 39 Ca 0.06 -0.38 -0.47 0.00 1.00 0.00 0.00 64.86 65.07 1wen h ILE 39 Cb 0.41 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1wen h ILE 39 CO 0.01 0.00 -0.80 1.21 0.00 0.00 0.00 178.15 178.57 1wen n GLU 40 N -3.92 -4.91 -3.50 2.37 2.13 -1.26 -4.95 120.64 106.60 1wen n GLU 40 Ca -0.04 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1wen n GLU 40 Cb 0.13 -5.26 -0.05 0.00 0.27 0.00 0.00 31.44 26.53 1wen n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1wen s TRP 41 N -3.48 -0.77 0.17 4.31 0.52 -1.24 -3.87 118.94 114.58 1wen s TRP 41 Ca 0.40 1.37 -0.07 0.00 0.02 0.00 0.00 56.10 57.83 1wen s TRP 41 Cb -0.20 0.46 -0.02 0.00 -1.15 0.00 0.00 33.47 32.56 1wen s TRP 41 CO 0.84 -0.38 0.24 -0.06 0.02 0.00 0.00 176.95 177.61 1wen s PHE 42 N 2.27 0.59 -0.18 -1.98 0.40 -1.23 -2.90 117.98 114.94 1wen s PHE 42 Ca -0.05 -0.93 -0.14 0.00 -0.60 0.00 0.00 56.93 55.21 1wen s PHE 42 Cb -0.06 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 1wen s PHE 42 CO -0.17 -0.70 0.31 -1.01 0.70 0.00 0.00 175.22 174.35 1wen s HIS 43 N -4.01 3.42 0.08 0.36 3.76 -1.26 -2.90 115.29 114.73 1wen s HIS 43 Ca 0.22 0.57 -0.15 0.00 -0.15 0.00 0.00 55.06 55.55 1wen s HIS 43 Cb 0.04 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 1wen s HIS 43 CO 0.03 0.15 1.18 1.19 -0.85 0.00 0.00 174.74 176.44 1wen n PHE 44 N 3.90 -0.21 -0.09 1.40 3.01 -0.96 -0.64 117.46 123.86 1wen n PHE 44 Ca -0.11 0.59 -0.12 0.00 1.01 0.00 0.00 57.45 58.82 1wen n PHE 44 Cb 0.52 -0.52 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 1wen n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wen h ALA 45 N -0.22 -0.61 -0.60 4.37 0.00 -1.93 0.20 119.26 120.47 1wen h ALA 45 Ca 0.08 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1wen h ALA 45 Cb 0.19 0.95 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1wen h ALA 45 CO -0.45 -0.96 -0.36 0.00 0.00 0.00 0.00 179.25 177.49 1wen n VAL 47 N -5.43 1.36 -3.92 0.00 0.24 0.19 -4.87 118.33 105.89 1wen n VAL 47 Ca 0.04 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.34 61.67 1wen n VAL 47 Cb 0.36 -0.86 -0.00 0.00 -1.47 0.00 0.00 33.84 31.86 1wen n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wen n GLY 48 N 0.17 -0.46 0.43 7.63 0.00 0.22 -4.81 105.19 108.37 1wen n GLY 48 Ca 0.11 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1wen n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wen n LEU 49 N -3.64 1.66 -1.96 0.99 4.77 0.58 -4.97 117.00 114.43 1wen n LEU 49 Ca -0.10 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1wen n LEU 49 Cb 0.39 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1wen n LEU 49 CO 0.51 0.38 0.00 0.35 -1.33 0.00 0.00 177.39 177.31 1wen n THR 50 N -3.12 0.00 -3.55 -5.08 -2.24 -1.23 -4.76 114.28 94.30 1wen n THR 50 Ca -0.17 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1wen n THR 50 Cb 0.64 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1wen n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wen s THR 51 N -1.59 0.00 -0.49 4.28 2.01 -1.26 -5.05 115.64 113.53 1wen s THR 51 Ca 0.00 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 1wen s THR 51 Cb 0.00 -1.22 0.07 0.00 0.01 0.00 0.00 72.50 71.36 1wen s THR 51 CO 0.00 0.00 0.50 -0.75 -0.69 0.00 0.00 174.62 173.68 1wen s LYS 52 N -3.25 3.03 -0.99 4.92 2.20 -1.26 -5.00 119.74 119.38 1wen s LYS 52 Ca 0.06 -1.20 -0.24 0.00 -0.36 0.00 0.00 55.97 54.23 1wen s LYS 52 Cb -0.01 -4.14 -0.06 0.00 -1.51 0.00 0.00 37.83 32.11 1wen s LYS 52 CO -0.07 -1.14 1.94 -1.25 -0.36 0.00 0.00 175.35 174.48 1wen s PRO 53 N 2.05 2.53 0.30 4.03 0.04 -1.26 -4.94 135.00 137.74 1wen s PRO 53 Ca 0.08 -0.57 -0.30 0.00 0.04 0.00 0.00 61.00 60.25 1wen s PRO 53 Cb -0.23 -5.12 -0.12 0.00 0.04 0.00 0.00 34.50 29.07 1wen s PRO 53 CO 0.08 -3.58 1.47 0.54 0.04 0.00 0.00 177.00 175.56 1wen n ARG 54 N 8.67 2.40 0.00 4.56 5.12 -1.26 -3.92 116.66 132.23 1wen n ARG 54 Ca 0.42 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 57.19 1wen n ARG 54 Cb 0.47 -2.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.21 1wen n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wen n GLY 55 N 1.71 1.55 3.44 -0.13 0.00 -1.26 -4.96 105.19 105.55 1wen n GLY 55 Ca 0.08 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1wen n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wen s LYS 56 N 0.00 0.59 0.06 1.61 -2.85 -1.25 -5.12 119.74 112.76 1wen s LYS 56 Ca 0.00 0.88 0.05 0.00 -1.00 0.00 0.00 55.97 55.90 1wen s LYS 56 Cb 0.00 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1wen s LYS 56 CO 0.00 -0.12 -0.15 -0.46 0.10 0.00 0.00 175.35 174.72 1wen s TRP 57 N 0.92 1.30 -0.07 1.78 -0.00 -1.26 -5.03 118.94 116.58 1wen s TRP 57 Ca -0.05 -0.40 0.00 0.00 -0.00 0.00 0.00 56.10 55.65 1wen s TRP 57 Cb -0.05 -0.75 0.02 0.00 -0.00 0.00 0.00 33.47 32.69 1wen s TRP 57 CO -0.08 0.06 -0.05 -0.06 -0.00 0.00 0.00 176.95 176.82 1wen s PHE 58 N -1.03 1.02 0.75 5.86 0.40 -1.26 -1.25 117.98 122.47 1wen s PHE 58 Ca 0.01 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.80 1wen s PHE 58 Cb -0.09 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 1wen s PHE 58 CO 0.02 -0.31 0.48 0.00 0.70 0.00 0.00 175.22 176.11 1wen n PRO 60 N -0.75 0.49 -0.03 0.00 -0.04 -1.26 -2.08 135.00 131.32 1wen n PRO 60 Ca 0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1wen n PRO 60 Cb 0.50 -1.17 -0.11 0.00 -0.04 0.00 0.00 33.50 32.69 1wen n PRO 60 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wen n ARG 61 N -0.67 1.06 -0.12 0.54 1.74 -1.26 -4.30 116.66 113.66 1wen n ARG 61 Ca 0.04 -0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.78 1wen n ARG 61 Cb 0.02 -1.35 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 1wen n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wen h SER 63 N -0.98 -1.13 -4.62 0.00 0.87 -1.70 -3.47 113.55 102.52 1wen h SER 63 Ca -0.55 0.11 -0.29 0.00 -1.23 0.00 0.00 61.79 59.83 1wen h SER 63 Cb 1.49 0.40 0.11 0.00 -0.44 0.00 0.00 62.40 63.96 1wen h SER 63 CO -0.33 -0.52 -0.52 1.67 -0.53 0.00 0.00 176.83 176.61 1wen n GLN 64 N -5.48 -5.79 -4.11 2.24 -0.06 -1.26 -5.02 117.38 97.90 1wen n GLN 64 Ca -0.09 0.62 -0.22 0.00 -2.00 0.00 0.00 57.00 55.31 1wen n GLN 64 Cb 0.39 -5.02 -0.04 0.00 -4.06 0.00 0.00 30.24 21.50 1wen n GLN 64 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1wen s GLU 65 N -5.83 2.91 0.09 3.69 2.12 -1.26 -5.06 118.70 115.37 1wen s GLU 65 Ca 0.37 -1.07 -0.32 0.00 0.36 0.00 0.00 54.97 54.31 1wen s GLU 65 Cb -0.16 -2.55 -0.11 0.00 0.26 0.00 0.00 34.13 31.56 1wen s GLU 65 CO 0.54 0.39 1.81 0.45 -0.54 0.00 0.00 175.26 177.92 1wen n SER 66 N -1.18 3.83 0.00 -1.70 2.88 -1.26 -4.66 113.62 111.52 1wen n SER 66 Ca -0.08 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1wen n SER 66 Cb 0.58 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1wen n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wen n GLY 67 N 4.16 -0.50 3.56 0.46 0.00 -1.26 -5.07 105.19 106.53 1wen n GLY 67 Ca 0.19 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 1wen n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wen s PRO 68 N 0.00 2.57 0.21 1.61 0.04 -1.26 -4.94 135.00 133.23 1wen s PRO 68 Ca 0.00 -0.14 -0.32 0.00 0.04 0.00 0.00 61.00 60.58 1wen s PRO 68 Cb 0.00 -4.95 -0.14 0.00 0.04 0.00 0.00 34.50 29.46 1wen s PRO 68 CO 0.00 -3.26 1.47 0.45 0.04 0.00 0.00 177.00 175.69 1wen n SER 69 N 13.75 2.88 -4.17 6.66 2.88 -1.26 -1.89 113.62 132.47 1wen n SER 69 Ca 0.37 1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 58.73 1wen n SER 69 Cb 0.48 -1.43 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 1wen n SER 69 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wen n SER 70 N 2.57 -0.16 0.00 -3.46 7.64 -1.26 -5.27 113.62 113.67 1wen n SER 70 Ca 0.13 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1wen n SER 70 Cb 0.31 -2.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.19 1wen n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64